Integration of Computation and Experiment for Accelerated Materials Discovery
Lead Research Organisation:
University of Liverpool
Department Name: Chemistry
Abstract
Society faces major challenges that require disruptive new materials solutions. For example, there is a worldwide demand for materials for sustainable energy applications, such as safer new battery technologies or the efficient capture and utilization of solar energy. This project will develop an integrated approach to designing, synthesizing and evaluating new functional materials, which will be developed across organic and inorganic solids, and also hybrids that contain both organic and inorganic modules in a single solid.
The UK is well placed to boost its knowledge economy by discovering breakthrough functional materials, but there is intense global completion. Success, and long-term competitiveness, is critically dependent on developing improved capability to create such materials. All technologically advanced nations have programmes that address this challenge, exemplified by the $100 million of initial funding for the US Materials Genome Initiative.
The traditional approach to building functional materials, where the properties arise from the placement of the atoms, can be contrasted with large-scale engineering. In engineering, the underpinning Newtonian physics is understood to the point that complex structures, such as bridges, can be constructed with millimetre precision. By contrast, the engineering of functional materials relies on a much less perfect understanding of the relationship between structure and function at the atomic level, and a still limited capability to achieve atomic level precision in synthesis. Hence, the failure rate in new materials synthesis is enormous compared with large-scale engineering, and this requires large numbers of researchers to drive success, placing the UK at a competitive disadvantage compared to larger countries. The current difficulty of materials design at the atomic level also leads to cultural barriers: in building a bridge, the design team would work closely with the engineering construction team throughout the process. By contrast, the direct, day-to-day integration of theory and synthesis to identify new materials is not common practice, despite impressive advances in the ability of computation to tackle more complex systems. This is a fundamental challenge in materials research.
This Programme Grant will tackle the challenge by delivering the daily working-level integration of computation and experiment to discover new materials, driven by a closely interacting team of specialists in structure and property prediction, measurement and materials synthesis. Key to this will be unique methods developed by our team that led to recent landmark publications in Science and Nature. We are therefore internationally well placed to deliver this timely vision.
Our approach will enable discovery of functional materials on a much faster timescale. It will have broad scope, because we will develop it across materials types with a range of targeted properties. It will have disruptive impact because it uses chemical understanding and experiment in tandem with calculations that directly exploit chemical knowledge. In the longer term, the approach will enable a wide range of academic and industrial communities in chemistry and also in physics and engineering, where there is often a keener understanding of the properties required for applications, to design better materials. This approach will lead to new materials, such as battery electrolytes, materials for information storage, and photocatalysts for solar energy conversion, that are important societal and commercial targets in their own right.
We will exploit discoveries and share the approach with our commercial partners via the Knowledge Centre for Materials Chemistry and the new Materials Innovation Factory, a £68 million UK capital investment in state-of-the-art materials research facilities for both academic and industrial users. Industry and the Universities commit 55% of the project cost.
The UK is well placed to boost its knowledge economy by discovering breakthrough functional materials, but there is intense global completion. Success, and long-term competitiveness, is critically dependent on developing improved capability to create such materials. All technologically advanced nations have programmes that address this challenge, exemplified by the $100 million of initial funding for the US Materials Genome Initiative.
The traditional approach to building functional materials, where the properties arise from the placement of the atoms, can be contrasted with large-scale engineering. In engineering, the underpinning Newtonian physics is understood to the point that complex structures, such as bridges, can be constructed with millimetre precision. By contrast, the engineering of functional materials relies on a much less perfect understanding of the relationship between structure and function at the atomic level, and a still limited capability to achieve atomic level precision in synthesis. Hence, the failure rate in new materials synthesis is enormous compared with large-scale engineering, and this requires large numbers of researchers to drive success, placing the UK at a competitive disadvantage compared to larger countries. The current difficulty of materials design at the atomic level also leads to cultural barriers: in building a bridge, the design team would work closely with the engineering construction team throughout the process. By contrast, the direct, day-to-day integration of theory and synthesis to identify new materials is not common practice, despite impressive advances in the ability of computation to tackle more complex systems. This is a fundamental challenge in materials research.
This Programme Grant will tackle the challenge by delivering the daily working-level integration of computation and experiment to discover new materials, driven by a closely interacting team of specialists in structure and property prediction, measurement and materials synthesis. Key to this will be unique methods developed by our team that led to recent landmark publications in Science and Nature. We are therefore internationally well placed to deliver this timely vision.
Our approach will enable discovery of functional materials on a much faster timescale. It will have broad scope, because we will develop it across materials types with a range of targeted properties. It will have disruptive impact because it uses chemical understanding and experiment in tandem with calculations that directly exploit chemical knowledge. In the longer term, the approach will enable a wide range of academic and industrial communities in chemistry and also in physics and engineering, where there is often a keener understanding of the properties required for applications, to design better materials. This approach will lead to new materials, such as battery electrolytes, materials for information storage, and photocatalysts for solar energy conversion, that are important societal and commercial targets in their own right.
We will exploit discoveries and share the approach with our commercial partners via the Knowledge Centre for Materials Chemistry and the new Materials Innovation Factory, a £68 million UK capital investment in state-of-the-art materials research facilities for both academic and industrial users. Industry and the Universities commit 55% of the project cost.
Planned Impact
The need for accelerated approaches to identify materials with enhanced performance is internationally recognised. New functional materials can transform many other disciplines and application areas in science and engineering, such as healthcare, information storage, catalysis, transport, energy storage, use and generation. This produces two main types of impact from the project.
The new functional materials generated can have impacts in specific areas: for example, a new solid electrolyte for a lithium battery to replace a potentially flammable liquid electrolyte. We will exploit these materials with our industrial partners, with academics working at higher technology readiness levels (e.g., in materials, device and manufacturing engineering) and with a wider industrial network.
The project approach itself will have broader, long-term impact. The modular, integrated approach that accelerates materials discovery has the potential to identify valuable functional materials beyond our initial targets. It may also open up new types of material not readily accessed by less integrated approaches. This will generate impact over multiple sectors by helping researchers working across the full spectrum of materials types, their functions and applications, to address the current and unpredictable future needs of society. This breadth of impact arises from the project focus on both organic and inorganic materials, and hybrids, and its integration of computation and experiment. A narrower programme would impact fewer communities. Industry in particular frames problems around function, rather than specific materials, and hence needs capability that spans materials types.
Day-one partners Johnson Matthey, NPL, Exxon, NSG, Unilever, and Ceres Power will benefit from specific technical developments, for example in complex multicomponent systems, and from new thermoelectric, ion transporting, catalytic, multiferroic, electroceramic, transparent conducting and photocatalytic materials. They commit £1.35 M in support, demonstrating industry interest in the project vision. They have strong networks to raise the technology readiness level (TRL) of project outputs. These leading innovators see the potential of the integrated PG approach to accelerate materials discovery and development to meet ever more challenging performance needs: new manufacturing methods allow more advanced materials to be integrated into product design at scale, so the project vision for accelerated discovery of such materials could radically change industry strategies.
We have a successful strategy for dissemination to large and small UK companies working in cognate areas (e.g., BP, Datalase, ACAL Energy) by the Knowledge Centre for Materials Chemistry, formed by the Liverpool investigators with Manchester, Bolton and STFC Daresbury in 2009. The £68 M Materials Innovation Factory (open Q2 2016) will allow daily interaction of PG researchers with industry, and enable engagement with the research community by hosting visits from new partner groups engaged through extensive profile-raising activity.
Society will benefit through enhanced energy, safety and resource efficiency, and reduced environmental impacts associated with higher performance materials, enhancing quality of life. The new approach will enable replacements to be sought for materials reliant for their function on rare, toxic, or hard-to-access elements, thereby removing risk from many sectors of society and industry and creating commercial opportunities. The training and mentoring of a cohort of at least 34 researchers expert in the integrated approach will be a competitive advantage to the UK, and a benefit to society, because these workers will apply the methods in industry and a range of academic disciplines. A summer school and project symposia will further disseminate training benefits.
The new functional materials generated can have impacts in specific areas: for example, a new solid electrolyte for a lithium battery to replace a potentially flammable liquid electrolyte. We will exploit these materials with our industrial partners, with academics working at higher technology readiness levels (e.g., in materials, device and manufacturing engineering) and with a wider industrial network.
The project approach itself will have broader, long-term impact. The modular, integrated approach that accelerates materials discovery has the potential to identify valuable functional materials beyond our initial targets. It may also open up new types of material not readily accessed by less integrated approaches. This will generate impact over multiple sectors by helping researchers working across the full spectrum of materials types, their functions and applications, to address the current and unpredictable future needs of society. This breadth of impact arises from the project focus on both organic and inorganic materials, and hybrids, and its integration of computation and experiment. A narrower programme would impact fewer communities. Industry in particular frames problems around function, rather than specific materials, and hence needs capability that spans materials types.
Day-one partners Johnson Matthey, NPL, Exxon, NSG, Unilever, and Ceres Power will benefit from specific technical developments, for example in complex multicomponent systems, and from new thermoelectric, ion transporting, catalytic, multiferroic, electroceramic, transparent conducting and photocatalytic materials. They commit £1.35 M in support, demonstrating industry interest in the project vision. They have strong networks to raise the technology readiness level (TRL) of project outputs. These leading innovators see the potential of the integrated PG approach to accelerate materials discovery and development to meet ever more challenging performance needs: new manufacturing methods allow more advanced materials to be integrated into product design at scale, so the project vision for accelerated discovery of such materials could radically change industry strategies.
We have a successful strategy for dissemination to large and small UK companies working in cognate areas (e.g., BP, Datalase, ACAL Energy) by the Knowledge Centre for Materials Chemistry, formed by the Liverpool investigators with Manchester, Bolton and STFC Daresbury in 2009. The £68 M Materials Innovation Factory (open Q2 2016) will allow daily interaction of PG researchers with industry, and enable engagement with the research community by hosting visits from new partner groups engaged through extensive profile-raising activity.
Society will benefit through enhanced energy, safety and resource efficiency, and reduced environmental impacts associated with higher performance materials, enhancing quality of life. The new approach will enable replacements to be sought for materials reliant for their function on rare, toxic, or hard-to-access elements, thereby removing risk from many sectors of society and industry and creating commercial opportunities. The training and mentoring of a cohort of at least 34 researchers expert in the integrated approach will be a competitive advantage to the UK, and a benefit to society, because these workers will apply the methods in industry and a range of academic disciplines. A summer school and project symposia will further disseminate training benefits.
Organisations
- University of Liverpool, United Kingdom (Lead Research Organisation)
- Pohang University of Science and Technology (Collaboration)
- Deutsches Electronen-Synchrotron (DESY) (Collaboration)
- Zhejiang University, China (Collaboration)
- Universite Montpellier (Collaboration)
- University College London, United Kingdom (Collaboration)
- Science and Technologies Facilities Council (STFC) (Collaboration)
- University of Edinburgh, United Kingdom (Collaboration)
- Pilkington Group Limited, United Kingdom (Collaboration)
- Japan Atomic Energy Agency (JAEA) (Collaboration)
- Fuzhou University (Collaboration)
- Helmholtz Association of German Research Centres (Collaboration)
- University of Kent, United Kingdom (Collaboration)
- Daresbury Laboratory (Collaboration)
- Diamond Light Source, United Kingdom (Collaboration)
- University of Tokyo (Collaboration)
- CSols (Collaboration)
- Tokyo University of Science, Japan (Collaboration)
- University of Nottingham (Collaboration)
- University of Bath, United Kingdom (Collaboration)
- Max Planck Society (Collaboration)
- University of Antwerp, Belgium (Collaboration)
- Imperial College London, United Kingdom (Collaboration, Project Partner)
- Centre for Process Innovation (CPI) (Collaboration)
- Grants Admin Office (Collaboration)
- Caen University, France (Collaboration)
- Tohoku University (Collaboration)
- National Institute for Materials Sciences (Collaboration)
- Ceres Power (Collaboration)
- King Abdullah University of Sc and Tech, Saudi Arabia (Collaboration)
- Kyushu University, Japan (Collaboration)
- British American Tobacco Plc, United Kingdom (Collaboration)
- NSG Nippon Sheet Glass Pilkington (Collaboration)
- University of Manchester, Manchester, United Kingdom (Collaboration)
- University of Central Lancashire, United Kingdom (Collaboration)
- National Physical Laboratory NPL, United Kingdom (Project Partner)
- Ceres Power Ltd, United Kingdom (Project Partner)
- NSG Holding (Europe) Limited (Project Partner)
- Johnson Matthey Plc (Project Partner)
- Unilever UK Central Resources Ltd, United Kingdom (Project Partner)
- ExxonMobil, United States (Project Partner)
Publications
Greenaway RL
(2019)
From Concept to Crystals via Prediction: Multi-Component Organic Cage Pots by Social Self-Sorting.
in Angewandte Chemie (International ed. in English)
Greenaway RL
(2018)
High-throughput discovery of organic cages and catenanes using computational screening fused with robotic synthesis.
in Nature communications
Guiglion P
(2017)
Validating a Density Functional Theory Approach for Predicting the Redox Potentials Associated with Charge Carriers and Excitons in Polymeric Photocatalysts
in The Journal of Physical Chemistry C
Guiglion P
(2015)
Polymer Photocatalysts for Water Splitting: Insights from Computational Modeling
in Macromolecular Chemistry and Physics
Guilbert AAY
(2021)
Impact of Chemical Structure on the Dynamics of Mass Transfer of Water in Conjugated Microporous Polymers: A Neutron Spectroscopy Study.
in ACS applied polymer materials
Guo L
(2021)
Crystallization of Covalent Triazine Frameworks via a Heterogeneous Nucleation Approach for Efficient Photocatalytic Applications
in Chemistry of Materials
Hall C
(2020)
Color Differences Highlight Concomitant Polymorphism of Chalcones
in Crystal Growth & Design
Han G
(2021)
Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability.
in Journal of the American Chemical Society
Hasell T
(2017)
Chirality as a tool for function in porous organic cages.
in Nanoscale
He A
(2022)
A smart and responsive crystalline porous organic cage membrane with switchable pore apertures for graded molecular sieving.
in Nature materials
| Description | Structure - property - function maps have been developed and used to prioritise synthesis of organic molecular solids for the first time, and has been published in Nature. A new concept for the identification of stable crystalline solids has been developed, and this probe structure approach used to computationally prioritise synthesis based purely on composition. This has been published in Nature. A new method for the prediction of crystal structures has been developed, and the associated codes ported to supercomputers at the Hartree Centre, and used in Faraday Institution projects and in commercial project that led to IP filed by the commercial partner. These advances are significant steps towards realising the overall vision of the project, as they allow experimental researchers to prioritise their work based on computational input. A workshop in 2021 gave practical training in the use of these tools to the UK community from academia and industry. Computational guidance has been key to the development of best-in-class materials for solar hydrogen generation, reported in Nature Chemistry, and for the separation of hydrogen isotopes, reported in Science. By combining experiment-led design with computational understanding, we identified a phonon glass-electron crystal oxide for thermoelectric applications. New types of lithium ion conductor have been identified. Experiment-led programmes are also yielding new concepts, such as nanostructuring of solid oxide fuel cell cathodes as reported in Nature Energy, new chemistry for stable, low energy gas separation processes and new routes to multifunctional (transparent conducting, both p-type and In-free) materials of importance for both energy conservation and harvesting and information technology. New lead-free solar absorber materials have been discovered and patented together with partners at Oxford Physics. Autonomous laboratory robots have been reported in Nature. The lowest thermal conductivity inorganic material was reported in Science. A new machine-learning tool and the associated collaborative AI workflow to provide decision support for exploratory synthetic materials chemistry was reported. |
| Exploitation Route | In the accelerated identification of new materials in other research areas, in the application of the materials for example as battery, fuel cell or solar absorber materials, through use of the software and associated workflows developed in the project and through application of the novel autonomous laboratory robots across sectors. |
| Sectors | Aerospace, Defence and Marine,Chemicals,Digital/Communication/Information Technologies (including Software),Electronics,Energy,Environment,Healthcare,Manufacturing, including Industrial Biotechology,Pharmaceuticals and Medical Biotechnology,Transport |
| Description | Progress in developing the capability to accelerate discovery in the project has been presented at internal research prioritisation meetings at major UK and multinational companies, including the 20 participants at the Knowledge Centre for Materials Chemistry (KCMC) Industrial Steering Group meeting in June 2017, September 2018 and November 2019, spanning SMEs to large UK and multinational corporates: the KCMC Knowledge Transfer team now routinely highlight project outcomes and capabilities in digital materials discovery to UK industry partners. This presentation highlighted advances in computational, robotic and data-driven approaches pioneered in this project to a cross-sector industry group and has, together with the broad range of presentations given by the project team, produced a large number of follow-on discussions and programmes with companies. For example, a series of meetings to disseminate the approach have also been held with senior industrial research staff at two major companies. Both series of meetings generated interest in starting major new internal research directions for the organisations, resulting in two funded projects to accelerate internal research priorities using the project approach, and further follow-up involving visits at CTO and CIO level to gauge the potential for further and broader uptake, with project researchers giving tutorial presentations on the project approach and tools to industrial partners. There are now projects involving the digital discovery tools and vision developed in the project with six UK-based companies spanning sectors. The new computational approaches developed in the project have been ported to the Hartree Centre supercomputers for industrial use in collaboration with the Centre. These approaches are now used in a Faraday Institution project, and were used in an industrial collaboration that led to the filing of IP by the industrial partner. Work on autonomous laboratory robotics has led to the formation of a spin out company that is now working with major corporates to transform their internal research protocols. The digital discovery tools developed in the project have contributed to the capability of the Materials Innovation Factory, with its industry-academy colocation of over 300 researchers. The strong engagement across disciplines to computer science played a key role in the establishment of the £12.7M Digital Innovation Facility cofounded by the University of Liverpool and Liverpool City Region), which includes IBM as a partner and offers robotics, AI and data analytics capabilities for industrial collaboration. The project has thus pioneered cross-disciplinary discovery approaches spanning chemistry, physics and materials and computer science. Such approaches will be critical in the accelerated research required to tackle challenges associated with net zero, such as decarbonisation of energy production and the re-engineering of global materials value chains so that the carbon which is embedded in commonly used products and commodities comes from renewable sources rather than petrochemicals. (https://news.liverpool.ac.uk/2021/08/13/the-power-of-10x-using-materials-innovation-to-reach-net-zero/) Work on formaldehyde capture has resulted in the formation of a spinout company. This work won first prize in the RSC Emerging Technologies competition. A spin-out company, Porous Liquid Technologies (https://www.porousliquidtechnologies.com; company no. NI646834) was formed on Jul. 10 2017 to exploit the new class of compounds developed in this grant, porous liquids (Nature 2015). This company is a joint spin-out from Queens University Belfast and the University of Liverpool, and both Prof. Stuart James (QUB) and Prof. Andrew Cooper (UoL) are Directors of the company. The early technologies under investigation include low energy carbon dioxide capture and pollutant removal. A patent has been filed by a company on porous materials. Capability and materials developed under the project informed and shaped our leadership of the Royal Society's policy briefing to UK government on the utilisation of carbon dioxide. New solid oxide fuel cell materials emerging from the project were scaled-up and evaluated with a commercial partner, which then filed a patent on the technology. |
| First Year Of Impact | 2016 |
| Sector | Chemicals,Energy,Environment |
| Impact Types | Economic |
| Description | Work on this project informed and influenced the Royal Society policy briefing for the GCSA on "The potential and Limitations of using carbon dioxide", chaired and led by the PI |
| Geographic Reach | National |
| Policy Influence Type | Implementation circular/rapid advice/letter to e.g. Ministry of Health |
| URL | https://royalsociety.org/topics-policy/projects/low-carbon-energy-programme/potential-limitations-ca... |
| Title | A and B site doping of a phonon-glass perovskite oxide thermoelectric |
| Description | Data supporting the peer-reviewed article https://pubs.rsc.org/en/content/articlelanding/2018/ta/c8ta03739f#!divAbstract, on the synthesis, structural and property characterisation of doping the new phonon-glass thermoelectric oxide La0.5K0.5TiO3. The deposit includes experimental data (X-ray and neutron powder diffraction; conductivity measurements; Seebeck measurements and thermal conductivity measurements), as well as computational data (DFT). Please note: ReadMe files are included within each individual zip file. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | http://datacat.liverpool.ac.uk/id/eprint/520 |
| Title | Accelerated discovery of two new structure types in a complex inorganic phase field |
| Description | Today, we find new materials by systematic experimental investigation of the phases that form by combining the elements. But this is too slow in the face of the vast number of possible materials compositions. "Big data" computational approaches calculate possible materials based on known crystal structures, but can only find analogues, not truly new structures. We have developed a computational tool that combines ab initio prediction with chemical understanding to efficiently direct experimental work into a region of a five-element composition space where two new structures are then found. This approach is applicable to materials discovery across the periodic table, now. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2017 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | http://datacat.liverpool.ac.uk/id/eprint/82 |
| Title | Anion compositional diversity reduces bonding dimensionality in the van der Waals semiconductor Bi4O4SeCl2 |
| Description | Making new van der Waals materials with electronic or magnetic functionality is a chemical design challenge for the development of two-dimensional nanoelectronic and energy conversion devices. We present the synthesis and properties of the van der Waals material Bi4O4SeCl2, which is a 1:1 superlattice of the van der Waals insulator BiOCl and the three-dimensionally bonded layered high mobility semiconductor Bi2O2Se. The presence of three anions gives the new structure both the bridging selenide anion sites that connect pairs of Bi2O2 layers in Bi2O2Se and the terminal chloride sites that produce the van der Waals gap in BiOCl. This retains the electronic properties of Bi2O2Se, while reducing the dimensionality of the bonding network connecting the Bi2O2Se units to allow exfoliation of Bi4O4SeCl2 to 1.4 nm height. The superlattice structure is stabilised by the configurational entropy of anion disorder across the terminal and bridging sites. The reduction in bonding dimensionality with retention of electronic functionality stems from the expanded anion compositional diversity. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2020 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | http://datacat.liverpool.ac.uk/id/eprint/901 |
| Title | Chemical Control of Correlated Metals as Transparent Conductors |
| Description | Correlated metallic transition metal oxides offer a route to thin film transparent conductors that is distinct from the degenerate doping of broadband wide gap semiconductors. In a correlated metal transparent conductor, interelectron repulsion shifts the plasma frequency out of the visible region to enhance optical transmission, while the high carrier density of a metal retains sufficient conductivity. By exploiting control of the filling, position, and width of the bands derived from the B site transition metal in ABO3 perovskite oxide films, it is shown that pulsed laser deposition-grown films of cubic SrMoO3 and orthorhombic CaMoO3 based on the second transition series cation 4d2 Mo4+ have superior transparent conductor properties to the first transition series 3d1 V4+-based SrVO3. The increased carrier concentration offered by the greater bandfilling in the molybdates gives higher conductivity while retaining sufficient correlation to keep the plasma edge below the visible region. The reduced binding energy of the n = 4 frontier orbitals in the second transition series materials shifts the energies of oxide 2p to metal nd transitions into the near-ultraviolet to enhance visible transparency. The A site size-driven rotation of MoO6 octahedra in CaMoO3 optimizes the balance between Q3 plasma frequency and conductivity for transparent conductor performance. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2019 |
| Provided To Others? | Yes |
| Impact | The work related to this dataset has resulted in an extensive collaboration with NSG Group |
| URL | http://datacat.liverpool.ac.uk/id/eprint/651 |
| Title | Chemical Control of the Octahedral Network of Solar Absorbers from the CuI-AgI-BiI3 Phase Space via the Discovery of 3D CuAgBiI5 |
| Description | CuAgBiI5 is synthesised as powder, crystals, and thin films. The structure consists of a 3D octahedral Ag+/Bi3+network as in spinel but the tetrahedral interstitials occupied by Cu+ differ from those of a spinel. The 3D octahedral network of CuAgBiI5 allows us to identify a relationship between octahedral site occupancy (composition) and octahedral motif (structure) across the whole CuI-AgI-BiI3 phase field, giving the ability to chemically control structural dimensionality. To investigate composition-structure-property relationships, we explore how the basic optoelectronic properties of CuAgBiI5 compare to those of Cu2AgBiI6 (which has a 2D octahedral network) and reveal a surprisingly low sensitivity towards dimensionality of the octahedral network. The absorption onset of CuAgBiI5 (2.02 eV) barely changes compared with that of Cu2AgBiI6 (2.06 eV) indicating no obvious signs of an increase in charge confinement. Such behaviour contrasts with that for lead halide perovskites which show clear confinement effects upon lowering dimensionality of the octahedral network from 3D to 2D. Changes in PL spectra and lifetimes between the two compounds mostly derive from difference in extrinsic defect densities rather than intrinsic effects. While both materials show good stability, bulk CuAgBiI5 powder samples are found to be more sensitive degradation under solar irradiation compared to Cu2AgBiI6. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2021 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | https://datacat.liverpool.ac.uk/id/eprint/1439 |
| Title | Computational prediction and experimental realization of p-type carriers in the wide band-gap oxide SrZn1-xLixO2 |
| Description | Experimental and computational data to support the manuscript "Computational prediction and experimental realization of p-type carriers in the wide band-gap oxide SrZn1-xLixO2 " |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | http://datacat.liverpool.ac.uk/433/ |
| Title | Computationally-guided discovery of a new compound in the Li-Al-S phase field, Li3AlS3: structure and lithium conductivity |
| Description | With the goal of finding new lithium solid electrolytes by a combined computational-experimental method, the exploration of the Li-Al-O-S phase field resulted in the discovery of a new sulphide Li3AlS3. The structure of the new phase was determined through an approach combining synchrotron X-ray and neutron diffraction with 6Li and 27Al magic angle spinning nuclear magnetic resonance spectroscopy, and revealed a highly ordered cationic polyhedral network within a sulphide anion hcp-type sublattice. The originality of the structure relies on the presence of Al2S6 repeating dimer units consisting of two edge-shared Al tetrahedra. We find that, in this structure type consisting of alternating tetrahedral layers with Li-only polyhedra layers, the formation of these dimers is constrained by the Al/S ratio of 1/3. Moreover, by comparing this structure to similar phases such as Li5AlS4 and Li4.4Al0.2Ge0.3S4 ((Al+Ge)/S = 1/4), we discovered that the AlS4 dimers not only influence atomic displacements and Li polyhedral distortions, but also determine the overall Li polyhedral arrangement within the hcp lattice, leading to the presence of highly ordered vacancies in both the tetrahedral and Li-only layer. AC-impedance measurements revealed a low lithium mobility, which is strongly impacted by the presence of ordered vacancies. Finally, a composition-structure-property relationship understanding was developed to explain the extent of lithium mobility in this structure type. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2019 |
| Provided To Others? | Yes |
| Impact | no known impacts |
| URL | http://datacat.liverpool.ac.uk/id/eprint/988 |
| Title | Data for "Bi4O4Cu1.7Se2.7Cl0.3: Intergrowth of BiOCuSe and Bi2O2Se Stabilized by the Addition of a Third Anion" |
| Description | Paper Abstract: Layered two-anion compounds are of interest for their diverse elec-tronic properties. The modular nature of their layered structures offers opportunities for the construction of complex stackings used to introduce or tune functionality, but the accessible layer combina-tions are limited by the crystal chemistries of the available anions. We present a layered three-anion material, Bi4O4Cu1.7Se2.7Cl0.3, which adopts a new structure type composed of alternately stacked BiOCuSe and Bi2O2Se-like units. This structure is accessed by inclusion of three chemically distinct anions, which are accommo-dated by aliovalently substituted Bi2O2Se0.7Cl0.3 blocks coupled to Cu-deficient Bi2O2Cu1.7Se2 blocks, producing a formal charge modulation along the stacking direction. The hypothetical parent phase Bi4O4Cu2Se3 is unstable with respect to its charge-neutral stoichiometric building blocks. The complex layer stacking confers excellent thermal properties upon Bi4O4Cu1.7Se2.7Cl0.3: a room tem-perature thermal conductivity (?) of 0.4(1) W/mK was measured on a pellet with preferred crystallite orientation along the stacking axis, with perpendicular measurement indicating it is also highly aniso-tropic. This ? value lies in the ultra-low regime and is smaller than that of both BiOCuSe and Bi2O2Se. Bi4O4Cu1.7Se2.7Cl0.3 behaves like a charge-balanced semiconductor with a narrow band gap. The chemical diversity offered by the additional anion allows the inte-gration of two common structural units in a single phase by the simultaneous and coupled creation of charge-balancing defects in each of the units. The raw data for D iffraction, Physical Properties, Reflectance, and XPS data presented here |
| Type Of Material | Database/Collection of data |
| Year Produced | 2017 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | http://datacat.liverpool.ac.uk/id/eprint/408 |
| Title | Discovery of a low thermal conductivity oxide guided by probe structure prediction and machine learning |
| Description | See Readme file. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2021 |
| Provided To Others? | Yes |
| Impact | Data supporting the peer-reviewed article 10.1002/anie.202102073, on the computational identification of a new oxide compound with complex aperiodic structure and low thermal conductivity. The deposit includes experimental data (X-ray and neutron powder diffraction; electron microscopy images, heat capacity measurements, thermal conductivity measurements, Raman measurements), as well as computational data (probe structure calculations, DFT, machine learning models). Please note: ReadMe files are included to explain the contents of individual zip files. |
| URL | https://datacat.liverpool.ac.uk/id/eprint/1047 |
| Title | Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry |
| Description | The selection of the elements to combine delimits the possible outcomes of synthetic chemistry because it determines the range of compositions and structures, and thus properties, that can arise. For example, in the solid state, the elemental components of a phase field will determine the likelihood of finding a new crystalline material. Researchers make these choices based on their understanding of chemical structure and bonding. Extensive data are available on those element combinations that produce synthetically isolable materials, but it is difficult to assimilate the scale of this information to guide selection from the diversity of potential new chemistries. Here, we show that unsupervised machine learning captures the complex patterns of similarity between element combinations that afford reported crystalline inorganic materials. This model guides prioritisation of quaternary phase fields containing two anions for synthetic exploration to identify lithium solid electrolytes in a collaborative workflow that leads to the discovery of Li3.3SnS3.3Cl0.7. The interstitial site occupancy combination in this defect stuffed wurtzite enables a low-barrier ion transport pathway in hexagonal close-packing. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2021 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | https://datacat.liverpool.ac.uk/id/eprint/1157 |
| Title | Experimental data for "AgBiI4 as a Lead-Free Solar Absorber with Potential Application in Photovoltaics" |
| Description | Powder X-ray diffraction; Single Crystal X-ray Diffraction; UV-visible spectra; SEM-EDX compositions; X-ray photoelectron spectroscopy; DFT band structure calculations; Resistivity; Thermopower. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2017 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | http://datacat.liverpool.ac.uk/id/eprint/240 |
| Title | Highly Absorbing Lead-Free Semiconductor Cu2AgBiI6 for Photovoltaic Applications from the Quaternary CuI-AgI-BiI3 Phase Space |
| Description | Since the emergence of lead-halide perovskites for photovoltaic research, there has been mounting effort in the search for alternative compounds with improved or complementary physical, chemical or optoelectronic properties. Here, we report the discovery of Cu2AgBiI6; a stable, inorganic, lead-free wide band gap semiconductor, well suited for use in lead-free tandem photovoltaics. We measure a very high absorption coefficient of 1.0 × 105 cm-1 near the absorption onset, several times that of CH3NH3PbI3. Solution-processed Cu2AgBiI6 thin films show a direct band gap of 2.06(1) eV, an exciton binding energy of 25 meV, a substantial charge-carrier mobility (1.7 cm2V-1s-1), long photoluminescence lifetimes (33 ns), and a relatively small Stokes shift between absorption and emission. Crucially, we solve the structure of the first quaternary compound in the phase space between CuI, AgI and BiI3. The structure includes both tetrahedral and octahedral species which are open to compositional tuning and chemical substitution to further enhance properties. As the proposed double perovskite Cs2AgBiI6 thin films have not been synthesized to date, Cu2AgBiI6 is a valuable example of a stable Ag+/Bi3+ octahedral motif in a close-packed iodide sub-lattice that is accessed via the enhanced chemical diversity of the quaternary phase space. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2021 |
| Provided To Others? | Yes |
| Impact | Patent application filed related to this dataset |
| URL | https://datacat.liverpool.ac.uk/id/eprint/1110 |
| Title | La3Li3W2O12: Ionic diffusion in a Perovskite with Lithium on both A- and B-Sites |
| Description | Data relating to the discovery and characterisation of La3Li3W2O12 (LLWO), a perovskite with lithium on the A- and B- sites. The data has contributions from both experimental and computational techniques, including: Diffraction NMR DFT calculations EDX / ICP-OES chemical analysis And relates to the structure, composition and lithium ion dynamics of this new material. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2016 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | http://datacat.liverpool.ac.uk/id/eprint/162 |
| Title | Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking |
| Description | README files are provided within separate data folders. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2021 |
| Provided To Others? | Yes |
| Impact | Patent application filed for the work related to this dataset |
| URL | https://datacat.liverpool.ac.uk/id/eprint/1158 |
| Title | Lithium transport in Li4.4M0.4M'0.6S4 (M= Al3+, Ga3+ and M'= Ge4+, Sn4+): Combined crystallographic, conductivity, solid state NMR and computational studies |
| Description | In order to understand the structural and compositional factors controlling lithium transport in sulfides, we explored the Li5AlS4 - Li4GeS4 phase field for new materials. Both parent compounds are defined structurally by a hexagonal close packed sulfide lattice, where distinct arrangements of tetrahedral metal sites give Li5AlS4 a layered structure and Li4GeS4 a three dimensional structure related to ?-Li3PO4. The combination of the two distinct structural motifs is expected to lead to new structural chemistry. We identified the new crystalline phase Li4.4Al0.4Ge0.6S4, and investigated the structure and Li+ ion dynamics of the family of structurally related materials Li4.4M0.4M'0.6S4 (M= Al3+, Ga3+ and M'= Ge4+, Sn4+). We used neutron diffraction to solve the full structures of the Al-homologues, which adopt a layered close-packed structure with a new arrangement of tetrahedral (M/M') sites and a novel combination of ordered and disordered lithium vacancies. AC impedance spectroscopy revealed lithium conductivities in the range 3(2) x 10-6 to 4.3(3) x 10-5 S cm-1 at room temperature with activation energies between 0.43(1) and 0.38(1) eV. Electrochemical performance was tested in a plating and stripping experiment against Li metal electrodes and showed good stability of the Li4.4Al0.4Ge0.6S4 phase over 200 hours. A combination of variable temperature 7Li solid state nuclear magnetic resonance spectroscopy and ab initio molecular dynamics calculations on selected phases showed that two dimensional diffusion with a low energy barrier of 0.17 eV is responsible for long-range lithium transport, with diffusion pathways mediated by the disordered vacancies while the ordered vacancies do not contribute to the conductivity. This new structural family of sulfide Li+ ion conductors offers insight into the role of disordered vacancies on Li+ ion conductivity mechanisms in hexagonally close packed sulfides that can inform future materials design. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2018 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | http://datacat.liverpool.ac.uk/522/ |
| Title | Low thermal conductivity in a modular inorganic material with bonding anisotropy and mismatch |
| Description | Raw data to accompany the publication "Low thermal conductivity in a modular inorganic material with bonding anisotropy and mismatch" in Science |
| Type Of Material | Database/Collection of data |
| Year Produced | 2021 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | https://datacat.liverpool.ac.uk/id/eprint/1239 |
| Title | Na2Fe2OS2, An Earth Abundant Oxysulphide Cathode Material for Na-ion Batteries |
| Description | Multiple anion chemistry is of particular interest for preparing materials with new structures and exciting physical properties, including energy storage materials. Through careful synthesis optimization, a new Na2Fe2OS2 phase was prepared by two different routes: high temperature solid-state synthesis and simple mechanochemical synthesis. The long-range and local structure of Na2Fe2OS2 was studied by Rietveld refinement of neutron and X-ray diffraction data combined with EXAFS data refinement. The phase comprises an amorphous and a crystalline part which has an anti-K2NiF4 structure, corresponding to the n = 1 member of the homologous anti-Ruddlesden-Popper [AX][ABX3]n series. Its electrochemical properties as a cathode material were studied in Na half cells and Na-ion full cells, revealing that the material becomes fully amorphous upon initial desodiation to Na0.5Fe2OS2, but maintains a reversible capacity of 135 mAh·g-1 in full cells and a good cyclability. The stability of the pristine material and its structural evolution upon charging are discussed, paving the way for further optimization of this material. Being composed exclusively of earth-abundant elements and stable under dry air, Na2Fe2OS2 perfectly illustrates the great opportunity of multiple anion chemistry to explore new structure types and develop better energy storage systems. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2020 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | http://datacat.liverpool.ac.uk/id/eprint/1043 |
| Title | Phonon-glass electron-crystal behaviour by A site disorder in n-type thermoelectric oxides |
| Description | Data supporting the peer-reviewed article http://pubs.rsc.org/en/content/articlelanding/2017/ee/c7ee01510k#!divAbstract, on the synthesis, structural and property characterisation of new thermoelectric oxides, La0.5Na0.5Ti1-xNbxO3. The deposit includes experimental data (X-ray and neutron powder diffraction; conductivity measurements; Seebeck measurements; thermal conductivity measurements and heat capacity measurements), as well as computational data (DFT). Please note: ReadMe files are included within each individual zip file. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2017 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | http://datacat.liverpool.ac.uk/id/eprint/387 |
| Title | Room temperature magnetically ordered polar corundum GaFeO3 displaying magnetoelectric coupling |
| Description | Data supporting the peer reviewed article pubs.acs.org/doi/abs/10.1021/jacs.6b11128, on the synthesis and characterisation of a new polar corundum, GaFeO3. The deposit includes both experimental data (neutron and X-ray powder diffraction; magnetisation; Mossbauer spectroscopy; magnetoelectric coupling; electrical resistivity and dielectric measurements), and computational data (DFT). |
| Type Of Material | Database/Collection of data |
| Year Produced | 2017 |
| Provided To Others? | Yes |
| Impact | No known impacts |
| URL | http://datacat.liverpool.ac.uk/id/eprint/235 |
| Title | Self-assembled dynamic perovskite composite cathodes for intermediate temperature solid oxide fuel cells |
| Description | Electrode materials for intermediate temperature (500 - 700 °C) solid oxide fuel cells require electrical and mechanical stability to maintain performance during the cell lifetime. This has proven difficult to achieve for many candidate cathode materials and their derivatives with good transport and electrocatalytic properties because of reactivity towards cell components, and the fuels and oxidants. Here we present Ba0.5Sr0.5(Co0.7Fe0.3)0.6875W0.3125O3-d (BSCFW), a self-assembled composite prepared through simple solid state synthesis, consisting of B-site cation ordered double perovskite and disordered single perovskite oxide phases. These phases interact by dynamic compositional change at the operating temperature, promoting both chemical stability through the increased amount of W in the catalytically active single perovskite provided from the W-reservoir double perovskite, and microstructural stability through reduced sintering of the supported catalytically active phase. This interactive catalyst-support system enabled stable high electrochemical activity through the synergic integration of the distinct properties of the two phases. |
| Type Of Material | Database/Collection of data |
| Year Produced | 2016 |
| Provided To Others? | Yes |
| Impact | Patent, related to this work and assigned to Ceres Power has been granted |
| URL | http://datacat.liverpool.ac.uk/id/eprint/231 |
| Description | CRISMAT Caen |
| Organisation | Caen University |
| Department | Crystallography and Material Science Laboratory |
| Country | France |
| Sector | Academic/University |
| PI Contribution | Preparation of small single crystals of low thermal conductivity materials |
| Collaborator Contribution | Measurement of thermal conductivity on small single crystals |
| Impact | Results of the thermal conductivity measurements are being analysed |
| Start Year | 2020 |
| Description | CSols Ltd |
| Organisation | CSols |
| Country | United Kingdom |
| Sector | Private |
| PI Contribution | Integration of automation equipment and computer software for the development of an automated chemical laboratory. The work is focussed on increasing resources for the joint venture between CSols Labs Ltd and the University of Liverpool. The additional resources might be obtained via grants, collaboration with other groups (academic or otherwise), helping reduce the commercial costs of the project or more directly through helping sell the project's deliverables. Since the joint venture will not be able to act as an entity to receive these resources directly, they must go via one of the interested parties - the Materials Innovation Factory, Professor Cooper's group or CSols Labs (and related Companies, CSols, Dendrite Labs, XLabs, Labmotive) and they will indirectly pass the use of the resource to the joint venture. It will involve 1) Seeking grants for the interested parties around activities that will enhance the joint venture 2) Assisting with building collaborative activities within UoL and beyond 3) Raising the profile of the Project in the eyes of potential local stakeholders |
| Collaborator Contribution | Provide one FTE staff member based at the University of Liverpool for the duration of the project, |
| Impact | A recent publication related to this project has just been accepted in Nature and will be published in 2020. |
| Start Year | 2019 |
| Description | Collaboration wih Prof. Guillaume Maurin |
| Organisation | University of Montpellier |
| Country | France |
| Sector | Academic/University |
| PI Contribution | Prof. Cooper's group provided materials. |
| Collaborator Contribution | Study of thermal and mechanical properties of OMCs. |
| Impact | None yet. |
| Start Year | 2018 |
| Description | Collaboration with Dr Junwang Tang University College London |
| Organisation | University College London |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Prof. Cooper's group provided materials that were then tested for oxygen evolution activity from water under visible light illumination. |
| Collaborator Contribution | Testing of the materials. |
| Impact | Materials were found not to be active. One review is currently under submission in the area of polymer photocatalysis. |
| Start Year | 2016 |
| Description | Collaboration with PETRA III beamline P02.1 at DESY |
| Organisation | Deutsches Electronen-Synchrotron (DESY) |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | We prepared samples for analysis. |
| Collaborator Contribution | High resolution X-ray diffraction data were collected on the samples and analysed. |
| Impact | Publication in Journal of American Chemical Society, Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability. |
| Start Year | 2021 |
| Description | Collaboration with Prof. Akihiko Kudo (Tokyo University of Science) |
| Organisation | Tokyo University of Science |
| Country | Japan |
| Sector | Academic/University |
| PI Contribution | Prof. Cooper's group is providing materials for tests. |
| Collaborator Contribution | Prof. Kudo's group is testing these organic materials in conjunction with metal oxides for overall water splitting. |
| Impact | None yet. A postgraduate student will be visiting the group in Japan to perform more experiments. |
| Start Year | 2017 |
| Description | Collaboration with Prof. Feihe Huang on pillar[n]arene materials |
| Organisation | Zhejiang University |
| Country | China |
| Sector | Academic/University |
| PI Contribution | Hosted students in Prof. Cooper's group, performed measurements in Liverpool and exploring future directions. |
| Collaborator Contribution | Synthesis of pillar[n]arene materials. |
| Impact | One publication in JACS. |
| Start Year | 2016 |
| Description | Collaboration with Prof. Iain McCulloch (King Abdullah University, Saudi Arabia). |
| Organisation | King Abdullah University of Science and Technology (KAUST) |
| Country | Saudi Arabia |
| Sector | Academic/University |
| PI Contribution | Conjugated polymers are made by Prof. Cooper's group and posted to KAUST. |
| Collaborator Contribution | Prof. McCulloch's group is studying these conjugated polymer photocatalysts via photoelectron spectroscopy in air. |
| Impact | One manuscript in preparation, two to follow the first study. |
| Start Year | 2017 |
| Description | Collaboration with Prof. Kazunari Domen (The University of Tokyo, Japan): Preparation of heterojuctions of conjugated polymers with metal-oxides. |
| Organisation | University of Tokyo |
| Country | Japan |
| Sector | Academic/University |
| PI Contribution | Testing materials in Liverpool for their activity in composites. |
| Collaborator Contribution | Prof. Domen's group is providing materials for the project. |
| Impact | None yet. |
| Start Year | 2018 |
| Description | Collaboration with Prof. Kimoon Kim |
| Organisation | Pohang University of Science and Technology |
| Country | Korea, Republic of |
| Sector | Academic/University |
| PI Contribution | Testing of materials in Prof. Cooper's group |
| Collaborator Contribution | Provided covent organic frameworks and molecular materials with porphyrin based cage molecules |
| Impact | None |
| Start Year | 2018 |
| Description | Collaboration with Prof. Xinchen Wang (Fuzhou University). |
| Organisation | Fuzhou University |
| Country | China |
| Sector | Academic/University |
| PI Contribution | Visits by Dr R. S. Sprick to Fuzhou for measurements. Dr Sprick obtained £3750 from the Royal Society of Chemistry for two visits (each about 1 month) via a Researcher Mobility Grant. |
| Collaborator Contribution | Measurements were performed in Fuzhou. |
| Impact | A publication is in preparation for this based on the visit. The collaboration is multi-disciplinary and involved the physical chemistry team at Fuzhou. |
| Start Year | 2019 |
| Description | Computational Prediction of New Transparent Conducting Materials |
| Organisation | Pilkington Glass |
| Department | Pilkington Technology Centre |
| Country | United Kingdom |
| Sector | Private |
| PI Contribution | Computational structure prediction methods are being used to discover new transparent conducting materials for use as coatings on glass for optoelectronic and energy saving applications. The partnership is a three-way collaboration between our research team, NSG/Pilkington and the Hartree Centre. The Liverpool-NSG interaction is funded through an Impact Accelerator Account - Secondment award with significant cash contribution from NSG. Access to the Hartree supercomputers is funding through a Business for Innovators award. A PDRA employed by Liverpool and seconded to NSG's technical centres in the UK, US and Japan, will use computational structure prediction methods developed in the award |
| Collaborator Contribution | NSG/Pilkington have invested £150,000 in cash to this project, £75,000 towards an Impact Accelerator Account - Secondment for a PDRA to perform the research and £75,000 towards a Business of Innovators award from the Science and Technologies Facilities Council. They have also committed £110,000 of in-kind support through 2.5 days per week of personnel time (£50,000 p.a.) and £10,000 in travel and time to allow the researcher to visit the NSG US and Japanese technical centres. In January 2020 NSG have invested a further £75,000 to fund a PDRA and PhD to work on synthesis of new materials predicted from the computational project. |
| Impact | NSG have a long term (>5 year) vision for the collaboration, extending the research beyond transparent conductors into other materials of interest to the business. As a direct result of this collaboration NSG have committed to a 0.5 funded PhD student to compliment the PDRA. As of January 2020 NSG have invested a further £70,000 to partly fund a PDRA (starting February 2020) and a PhD student (starting September 2020) to begin synthesis of the transparent conducting materials predicted from the computational study. Synthesis work has begun and results are being generated. |
| Start Year | 2018 |
| Description | Computational Prediction of New Transparent Conducting Materials |
| Organisation | Science and Technologies Facilities Council (STFC) |
| Department | Hartree Centre |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Computational structure prediction methods are being used to discover new transparent conducting materials for use as coatings on glass for optoelectronic and energy saving applications. The partnership is a three-way collaboration between our research team, NSG/Pilkington and the Hartree Centre. The Liverpool-NSG interaction is funded through an Impact Accelerator Account - Secondment award with significant cash contribution from NSG. Access to the Hartree supercomputers is funding through a Business for Innovators award. A PDRA employed by Liverpool and seconded to NSG's technical centres in the UK, US and Japan, will use computational structure prediction methods developed in the award |
| Collaborator Contribution | NSG/Pilkington have invested £150,000 in cash to this project, £75,000 towards an Impact Accelerator Account - Secondment for a PDRA to perform the research and £75,000 towards a Business of Innovators award from the Science and Technologies Facilities Council. They have also committed £110,000 of in-kind support through 2.5 days per week of personnel time (£50,000 p.a.) and £10,000 in travel and time to allow the researcher to visit the NSG US and Japanese technical centres. In January 2020 NSG have invested a further £75,000 to fund a PDRA and PhD to work on synthesis of new materials predicted from the computational project. |
| Impact | NSG have a long term (>5 year) vision for the collaboration, extending the research beyond transparent conductors into other materials of interest to the business. As a direct result of this collaboration NSG have committed to a 0.5 funded PhD student to compliment the PDRA. As of January 2020 NSG have invested a further £70,000 to partly fund a PDRA (starting February 2020) and a PhD student (starting September 2020) to begin synthesis of the transparent conducting materials predicted from the computational study. Synthesis work has begun and results are being generated. |
| Start Year | 2018 |
| Description | Dr Ming Li - oxygen permeation membrane measurements |
| Organisation | University of Nottingham |
| Department | School of Mechanical, Materials and Manufacturing Engineering |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Supply of samples |
| Collaborator Contribution | Expertise and measurements |
| Impact | Paper and patent in preparation |
| Start Year | 2016 |
| Description | Dr Serban Lepadatu |
| Organisation | University of Central Lancashire |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Thin Film Measurements with Davide Innocenti |
| Collaborator Contribution | Thin Film Measurements |
| Impact | - |
| Start Year | 2017 |
| Description | H2/D2 separation |
| Organisation | University of Bath |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Prof. Cooper's group is providing materials for testing. |
| Collaborator Contribution | Prof. May's group is testing the performance in H2/D2 separations. |
| Impact | None yet. |
| Start Year | 2018 |
| Description | High resolution Electron Microscopy of thin films (Antwerp) |
| Organisation | University of Antwerp |
| Country | Belgium |
| Sector | Academic/University |
| PI Contribution | Preparation and supply of thin film samples |
| Collaborator Contribution | high resolution electron microscopy and analysis |
| Impact | Publication in Nature Chemistry (2016). Publication in Chemical Science (2011), publication in Angewandte Chemie (2007) |
| Start Year | 2018 |
| Description | Hripsime Gasparyan |
| Organisation | British American Tobacco |
| Country | United Kingdom |
| Sector | Private |
| PI Contribution | Paper being written |
| Collaborator Contribution | Paper being written |
| Impact | Paper to be written |
| Start Year | 2017 |
| Description | Imaging on fuel cell cathode materials |
| Organisation | Daresbury Laboratory |
| Country | United Kingdom |
| Sector | Private |
| PI Contribution | Preparation of powder specimens and lamellae for microscope imaging |
| Collaborator Contribution | Imaging and measurement of atomic resolution spectra |
| Impact | On-going collaboration. |
| Start Year | 2019 |
| Description | Inelastic neutron scattering for experimental measurement of PDOS |
| Organisation | Science and Technologies Facilities Council (STFC) |
| Department | ISIS Neutron and Muon Source |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Preparation and supply of powder samples for inelastic neutron scattering. |
| Collaborator Contribution | Measurement and analysis of inelastic neutron scattering data. |
| Impact | Ongoing analysis of data, likely leading to continued collaboration. Collaboration is multi-disciplinary between materials chemists and physicists. |
| Start Year | 2018 |
| Description | Ming Liu |
| Organisation | University of Nottingham |
| Department | Department of Chemical and Environmental Engineering |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Paper being written by Ming Liu. |
| Collaborator Contribution | Putting together Invention Disclosure record |
| Impact | Paper being written. Invention Disclosure record being formulated. |
| Start Year | 2017 |
| Description | NSG IP transfer |
| Organisation | NSG Nippon Sheet Glass Pilkington |
| Country | Japan |
| Sector | Private |
| PI Contribution | A project has been started to transfer IP and know-how to NSG Group. Funding was obtained through a HEIF award and from NSG for a 1-year post-doctoral researcher to transfer and develop new transparent conducting coatings to large area technologies used by NSG. |
| Collaborator Contribution | NSG will use their large scale coating technology to deposit transparent conducting coating systems developed by the Liverpool team. The NSG team is led from the UK with the deposition work taking place in Japan. NSG are funding 50% of the PDRA and in-kind support of time and facilities. |
| Impact | Funding was obtained from Liverpool HEIF award (£35,000), match funding is provided by NSG for PDRA salary. |
| Start Year | 2021 |
| Description | PhD students from China visit |
| Organisation | Zhejiang University |
| Country | China |
| Sector | Academic/University |
| PI Contribution | To work on porous molecular systems (pillarenes). |
| Collaborator Contribution | PhD Students Kecheng Jie and Yujuan Zhou Carried out calculations on the properties of the molecules, such as guest selectivity, that were not available to the Chinese team. |
| Impact | - |
| Start Year | 2015 |
| Description | Photodynamics studies of photocatalysts with Prof. Durrant |
| Organisation | Imperial College London |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Cooper group provided materials that were studied in detail. |
| Collaborator Contribution | The Durrant group studied our materials for their photodynamics via TAS. |
| Impact | Understanding structure-activity relationships in linear polymer photocatalysts for hydrogen evolution. M. Sachs, R. S. Sprick, D. Pearce, S. A. J. Hillman, A. Monti, A. A. Y. Guilbert, N. J. Brownbill, S. Dimitrov, X. Shi, F. Blanc, M. A. Zwijnenburg, J. Nelson , J. R. Durrant, A. I. Cooper, Nat. Commun. 2018, 9, 4968. Extended conjugated microporous polymers for photocatalytic hydrogen evolution from water. R. S. Sprick, B. Bonillo, M. Sachs, R. Clowes, J. Durrant, D. J. Adams, A. I. Cooper, Chem. Commun. 2016, 52, 10008-10011. |
| Start Year | 2016 |
| Description | Photophysical studies and molecular dynamics of photocatalysts with Prof. Nelson |
| Organisation | Imperial College London |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Providing samples for detail studies in Prof. Nelson's group. |
| Collaborator Contribution | Molecular dynamics studies, charge transport and generation studies of conjugated polymers. |
| Impact | Understanding structure-activity relationships in linear polymer photocatalysts for hydrogen evolution. M. Sachs, R. S. Sprick, D. Pearce, S. A. J. Hillman, A. Monti, A. A. Y. Guilbert, N. J. Brownbill, S. Dimitrov, X. Shi, F. Blanc, M. A. Zwijnenburg, J. Nelson , J. R. Durrant, A. I. Cooper, Nat. Commun. 2018, 9, 4968 |
| Start Year | 2017 |
| Description | Plamen Stamenov Mossbauer measurements |
| Organisation | Trinity College Dublin |
| Department | School of Physics |
| Country | Ireland |
| Sector | Academic/University |
| PI Contribution | Supply of samples |
| Collaborator Contribution | Mossbauer measurements |
| Impact | Measurements on-going |
| Start Year | 2016 |
| Description | Porting MC-EMMA to Scafell Pike |
| Organisation | Centre for Process Innovation (CPI) |
| Country | United Kingdom |
| Sector | Private |
| PI Contribution | Working with High Performance Software Engineer at the Hartree Centre, funded by the Materials Innovation Transfer scheme through the Centre for Process Innovation, we have provided working codes of MC-EMMA for porting to the Hartree Supercomputer, Scarfell Pike. |
| Collaborator Contribution | A High Performance Software Engineer funded by the Materials Innovation Transfer scheme through the Centre for Process Innovation has ported and optimised the MC-EMMA code for operation on Scarfell Pike |
| Impact | This collaboration has enabled the project with NSG Group investigating new transparent conducting materials |
| Start Year | 2018 |
| Description | Porting MC-EMMA to Scafell Pike |
| Organisation | Science and Technologies Facilities Council (STFC) |
| Department | Hartree Centre |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Working with High Performance Software Engineer at the Hartree Centre, funded by the Materials Innovation Transfer scheme through the Centre for Process Innovation, we have provided working codes of MC-EMMA for porting to the Hartree Supercomputer, Scarfell Pike. |
| Collaborator Contribution | A High Performance Software Engineer funded by the Materials Innovation Transfer scheme through the Centre for Process Innovation has ported and optimised the MC-EMMA code for operation on Scarfell Pike |
| Impact | This collaboration has enabled the project with NSG Group investigating new transparent conducting materials |
| Start Year | 2018 |
| Description | Processing of PLD targets (CRISMAT) |
| Organisation | Caen University |
| Department | Crystallography and Material Science Laboratory |
| Country | France |
| Sector | Academic/University |
| PI Contribution | Synthesis of powdered complex oxide materials suitable for further processing |
| Collaborator Contribution | Spark plasma sintering of complex oxide materials for pulsed laser deposition targets |
| Impact | Manuscripts are currently being prepared |
| Start Year | 2017 |
| Description | Prof. Nobuhiro Yanai viist |
| Organisation | Kyushu University |
| Country | Japan |
| Sector | Academic/University |
| PI Contribution | Hosted Prof. Yanai |
| Collaborator Contribution | Discussed potential of photon upconversion materials with conjugated polymers for hydrogen production. |
| Impact | none yet. |
| Start Year | 2018 |
| Description | Prof. Takuzo Aida (The University of Tokyo, Japan): Preparation and characterisation of plastic porous crystals. |
| Organisation | University of Tokyo |
| Country | Japan |
| Sector | Academic/University |
| PI Contribution | Prof. Cooper's group is providing materials. |
| Collaborator Contribution | Prof. Aida's group to test materials and characterise these in plastic porous crystals. |
| Impact | None yet. |
| Start Year | 2018 |
| Description | Proton conduction in porous organic cages |
| Organisation | University of Edinburgh |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Prof. Cooper's group is providing materials. |
| Collaborator Contribution | Simulation of proton conduction in porous organic cages in Prof. Carole A. Morrison's group |
| Impact | none yet. |
| Start Year | 2017 |
| Description | SPS of thermoelectric materials (Dalton) |
| Organisation | University of Manchester |
| Department | Dalton Cumbrian Facility |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Preparation and supply of powdered samples |
| Collaborator Contribution | Spark plasma sintering of samples for thermoelectric measurements |
| Impact | Manuscript in preparation |
| Start Year | 2017 |
| Description | Sarah Day and Chiu Tang Diamond I11 Beamline |
| Organisation | Diamond Light Source |
| Department | Beamline I11 |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Supply of materials |
| Collaborator Contribution | development of In-situ PXRD measurements of coin cell batteries |
| Impact | Manuscript in preparation |
| Start Year | 2017 |
| Description | Stuart Parkin - measurements on hexaferrites |
| Organisation | Max Planck Society |
| Department | Max Planck Institute for Microstructure Physics |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | Supply of hexaferrite single crystal samples |
| Collaborator Contribution | Measurements on hexaferrite samples |
| Impact | Measurements still on going |
| Start Year | 2017 |
| Description | T Takematsu visit |
| Organisation | Tohoku University |
| Department | Department of Applied Physics |
| Country | Japan |
| Sector | Academic/University |
| PI Contribution | The project vision of computation-experiment interaction to accelerate materials discovery across all materials types. |
| Collaborator Contribution | To understand our approach to thermoelectric materials. |
| Impact | - |
| Start Year | 2015 |
| Description | Taku Nankawa |
| Organisation | Japan Atomic Energy Agency (JAEA) |
| Country | Japan |
| Sector | Public |
| PI Contribution | Development and performance assessment of lanthanide oxalate metal organic frameworks for the selective separation of radioactive anions (e.g. 137Cs+, 90Sr2+) from seawater |
| Collaborator Contribution | Development and performance assessment of lanthanide oxalate metal organic frameworks for the selective separation of radioactive anions (e.g. 137Cs+, 90Sr2+) from seawater |
| Impact | - |
| Start Year | 2017 |
| Description | Time-resolved microwave conductivity measruements |
| Organisation | Helmholtz Association of German Research Centres |
| Department | Helmholtz-Zentrum Berlin for Materials and Energy |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | Prof. Cooper's group provided materials for testing. |
| Collaborator Contribution | Dr Dennis Friedrich tested materials for their performance. |
| Impact | None as material properties were not as expected. |
| Start Year | 2018 |
| Description | Verification and scale-up feasibility of a promising high-performance and durable cathode for intermediate temperature solid oxide fuel cell (IT-SOFC) technology |
| Organisation | Ceres Power |
| Country | United Kingdom |
| Sector | Private |
| PI Contribution | Through an Impact Accelerator Account - Proof of Concept award we have developed a scale-up route to two new solid oxide fuel cell cathode material and supplied sufficient material to allow Ceres Power to run fuel-cell stack tests on the material to assess the materials performance compared to their state-of-the-art cathode materials. The material was initially developed by us and a patent was filed by Ceres Power |
| Collaborator Contribution | Ceres Power filed the original patent to protect the IP of the material. For this specific project Ceres Power have supplied technical know-how and a cash contribution to allow the successful outcome of the collaboration. The material supplied by us to Ceres Power will be tested in a fuel cell stack at their research facility in Horsham, West Sussex. |
| Impact | Granted Patent GB2522522B |
| Start Year | 2015 |
| Description | Visit by Hiroshi Yamagishi (2017 - 2018) |
| Organisation | University of Tokyo |
| Country | Japan |
| Sector | Academic/University |
| PI Contribution | Worked as a visitor in Prof. A. I. Cooper group on a 6 month placement. |
| Collaborator Contribution | Synthesis and characterisation of crystalline materials, prepared using pyridyl functionalised molecular hosts. |
| Impact | Research projects are still active. |
| Start Year | 2017 |
| Description | Visit from Hamish Yeung |
| Organisation | National Institute for Materials Sciences |
| Department | Research Center for Advanced Measurement and Characterization |
| Country | Japan |
| Sector | Academic/University |
| PI Contribution | Worked on molecular polymorph transformations |
| Collaborator Contribution | Worked on molecular polymorph transformations |
| Impact | - |
| Start Year | 2016 |
| Description | XAS analysis of novel oxide materials |
| Organisation | University of Kent |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | Preparation of samples and measurement of XAS data at Diamond Light Source |
| Collaborator Contribution | Processing and analysis of XAS data |
| Impact | Ongoing collaboration. Likely to lead to further collaboration. |
| Start Year | 2018 |
| Title | CORE-SHELL COMPOSITIONS, METHODS OF MAKING THE SAME, AND GAS SEPARATION PROCESSES USING THE SAME |
| Description | Porous organic compositions including a core comprising nitrogen-containing molecules and a shell comprising nitrogen-containing compounds wherein the shell is non-chemically bonded to the core are provided herein. Processes for making the porous organic compositions as well as gas separation processes using the porous organic compositions are also provided herein. |
| IP Reference | US2018169612 |
| Protection | Patent application published |
| Year Protection Granted | 2018 |
| Licensed | Commercial In Confidence |
| Impact | No impact to date |
| Title | Ionic conductor |
| Description | The present invention relates to ionic conductors, for example mixed ionic-electronic conductors, for example for use as electrocatalysts. Particularly, the present invention relates to such ionic conductors comprising post-transition metals. |
| IP Reference | GB1806689.4 |
| Protection | Patent application published |
| Year Protection Granted | 2018 |
| Licensed | No |
| Impact | No impact to date |
| Title | SOLID-STATE CONDUCTOR MATERIALS |
| Description | A solid crystalline material of formula (I): AzDY4Xx, wherein each A is independently selected from Li, Na, K and Mg; D is selected from Si, Al, P, B, Ga, Ge, S, Mo, W, V, Sn, Sb, Nb and Ta, or a mixture thereof; each Y is independently selected from O, S, F, Cl, Br or a mixture thereof; each X is independently selected from F, Cl, Br, I, O, S, BH4 or a mixture thereof; z is from 2 to 8; and x is from 1 to 3. The solid crystalline material suitably provides a solid ionic conductor for use in a solid-state battery. A mixed solid crystalline material comprising the solid crystalline material, a solid-state battery comprising the solid crystalline material and a method of preparing the solid crystalline are also disclosed. |
| IP Reference | WO2021234416 |
| Protection | Patent application published |
| Year Protection Granted | 2021 |
| Licensed | No |
| Impact | Commercial partners are being investigated. Further IP has resulted from this initial application |
| Title | STRUCTURE |
| Description | A perovskite structure comprising a first element X, strontium, iron, cobalt, oxygen and tungsten; wherein the first element X is barium and/or a lanthanide and wherein the structure comprises a region of single perovskite and a region of double perovskite. An electrode and fuel cell comprising the structure together with a method of forming a perovskite structure according to any of claims 1 to 9, comprising mixing starting materials, wherein the starting materials comprise a first element X, strontium, iron, cobalt, oxygen and tungsten to form a mixture; heating the mixture to a first temperature for a first period of time to form a single perovskite; and heating the mixture to a second temperature for a second period of time to form a double perovskite; wherein the first element X is barium and/or a lanthanide. |
| IP Reference | WO2016083780 |
| Protection | Patent granted |
| Year Protection Granted | 2016 |
| Licensed | Commercial In Confidence |
| Impact | The material is currently being scaled up in an Impact Accelerator Account |
| Title | Structure |
| Description | The invention relates to structures for use in fuel cells. Specifically, perovskite structures for use as electrodes in solid oxide fuel cells (SOFCs) and methods of making the same. |
| IP Reference | US2016329570 |
| Protection | Patent granted |
| Year Protection Granted | 2016 |
| Licensed | Commercial In Confidence |
| Impact | The material is being scaled up and tested as part of an Impact Accelerator Account award |
| Title | synthetic method and materials for ion separation and recovery |
| Description | Japan patent application Synthetic method and materials for ion separation and recovery T.Nankawa, M.J.Rosseinsky, D.Stewart, A.Katsolidis |
| IP Reference | JP2016-161059 |
| Protection | Patent application published |
| Year Protection Granted | 2016 |
| Licensed | No |
| Impact | - |
| Title | Flexible Unit Structure Engine |
| Description | Flexible Unit Structure Engine (FUSE), for the generation of approximate 'probe structures' to predict regions of composition space where compounds can be experimentally realised. |
| Type Of Technology | Software |
| Year Produced | 2018 |
| Open Source License? | Yes |
| Impact | FUSE will be used during the NSG Group IAA collaboration after being ported for use on the Hartree supercomputer Scarfell Pike |
| Title | MC-EMMA |
| Description | MC-EMMA combines modules and stacking rules identified from the known chemistry of the studied elements to generate new feasible crystal structures. |
| Type Of Technology | Software |
| Year Produced | 2017 |
| Open Source License? | Yes |
| Impact | MC-EMMA is being used in the new collaboration with NSG Group to discover new transparent conducting materials |
| Company Name | CAGECAPTURE LIMITED |
| Description | Formaldehyde is often released as a pollutant from building materials such as paint and plasterboard, as well as many other household products. It is believed to cause various health problems and is classified as a Group 1 human carcinogen by WHO. The current leading technology for removing formaldehyde is activated carbon adsorption, which has low capture capacity and poor selectivity. A new cage molecule solid was designed and synthesised, that act like a 'cage prison' and can capture low concentration pollutants using a combination of chemical and physical adsorption. The patented technology has been proven to efficiently capture the most common indoor air pollutant, formaldehyde, at both high and low levels and even in humid conditions. CageCapture Ltd (CCL, https://cagecapture.com/), co-founded by the inventors, was formed in December 2019 to commercialise this new cage-based material. This technology was awarded the Royal Society of Chemistry's First Prize in their 2016 Emerging Technologies Competition. In 2019, CageCapture Ltd has been awarded a total of £298,754 funding via Innovate UK with matched funding from the University's Enterprise Investment Fund, through the Innovation to Commercialisation of University Research (ICURe) 'follow on funding' competition. The Innovate UK funding will be used to develop an in-house formaldehyde testing facility to validate the new technology and to explore other applications for the new technology including different pollutants. |
| Year Established | 2019 |
| Impact | To date, CageCapture has demonstrated that the Cage molecule can be formulated into industrially compatible coating processes for existing air filter production lines, providing an immediate performance uplift, with minimal integration. Materials have already been released to early customers as part of market testing. The resultant test data from several leading players in the chemical and filtration sectors has been positive, with strong expressions of interest for Joint Development Programmes and sample requests. |
| Website | https://cagecapture.com/ |
| Company Name | Porous Liquid Technologies Ltd |
| Description | Porous liquids-liquids with permanent holes in them-are a fundamentally new and counterintuitive state of matter, first described in 2015 in a joint Nature paper co-authored by researchers at Queen's University of Belfast and the University of Liverpool. This attracted much interest from academic teams and the media worldwide. Porous Liquid Technologies Ltd (PLT) was formed in July 2017 by the inventors to commercialise these materials (http://www.porousliquidtechnologies.com). The first porous liquids were hard to scale up, involving both complex chemistry and toxic solvents. Since 2015, we have solved both of those problems. Our most recent liquids have porosities of around 20%; a huge increase compared to our first-generation materials, opening up a range of applications. PLT has five directors - Prof. Stuart James (Belfast), Prof. Andrew Cooper (Liverpool), Dr Barry Murrer (ex Johnson Matthey), Mr David Moore (QUBIS) and Mr David James. |
| Year Established | 2017 |
| Impact | The company is in discussion with a number of potential commercial partners in sectors spanning oil and gas, catalysis, and food and drink. |
| Website | http://www.porousliquidtechnologies.com/ |
| Description | "Design of Advanced Materials?" Summer School of the IMPRS & MPI-UBC-UTokyo Centre, Design and Synthesis of Quantum materials, September 2020 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | • "Design of Advanced Materials?" Summer School of the IMPRS & MPI-UBC-UTokyo Centre, Design and Synthesis of Quantum materials, September 2020 |
| Year(s) Of Engagement Activity | 2020 |
| Description | "Design of Advanced Materials?", ESS-ILL user meeting 2020 | Topical Workshop on Chemistry and Magnetism, October 2020 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | • "Design of Advanced Materials?", ESS-ILL user meeting 2020 | Topical Workshop on Chemistry and Magnetism, October 2020 |
| Year(s) Of Engagement Activity | 2020 |
| Description | "Digital Routes to Functional Materials", BP-ICAM Webinar Series, November 2020 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | • "Digital Routes to Functional Materials", BP-ICAM Webinar Series, November 2020 |
| Year(s) Of Engagement Activity | 2020 |
| Description | "Digital Routes to Functional Materials", International Winter School Frontiers in Materials Science, December 2020 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | • "Digital Routes to Functional Materials", International Winter School Frontiers in Materials Science, December 2020 |
| Year(s) Of Engagement Activity | 2020 |
| Description | "Digital discovery of materials", Jornadas CICECO 20: The future of science and CICECO: what have we learned from the pandemic, November 2020 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | • "Digital discovery of materials", Jornadas CICECO 20: The future of science and CICECO: what have we learned from the pandemic, November 2020 |
| Year(s) Of Engagement Activity | 2020 |
| Description | "Digital routes to solid electrolytes", UK-Canada Summit on Solid State Batteries, Feb 2021 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | • "Digital routes to solid electrolytes", UK-Canada Summit on Solid State Batteries, Feb 2021 |
| Year(s) Of Engagement Activity | 2021 |
| Description | "Self-organised interfaces, crystal chemistry and oxygen mobility in mixed conductors for energy applications", The Power of Interfaces: Fundamentals for Solid State Devices, Royal Society, London, March 2020 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | • "Self-organised interfaces, crystal chemistry and oxygen mobility in mixed conductors for energy applications", The Power of Interfaces: Fundamentals for Solid State Devices, Royal Society, London, March 2020 |
| Year(s) Of Engagement Activity | 2020 |
| Description | "The Howard Flack Crystallographic lecture Series: Design of Advanced materials?", November 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | • "The Howard Flack Crystallographic lecture Series: Design of Advanced materials?", PSI, Villigen / CSEM, Neuchâtel / Uni Fribourg / EPFL, Lausanne / Empa, Dübendorf (ZH), November 2019 |
| Year(s) Of Engagement Activity | 2019 |
| Description | 17th European Conference on Solid State Chemistry |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Chris Collins presented an invited talk at ECSSC17 (Lille, September 2019): "Computationally Driven Materials Discovery" which genereted discussion and questions from the audience |
| Year(s) Of Engagement Activity | 2019 |
| Description | 19th international meeting on lithium batteries |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Bernhard Leube attended the 19th international meeting on lithium batteries, Jun17-22, Kyoto and presented a poster - "Li+diffusion in phosphorus-free Li4.4Al0.4M0.6S4 (M= Ge, Sn)" and presented a poster at a workshop (Advanced Ceramics for Energy applications: From Conversion to Storage) titled "Sulphide based high-entropy rock salts as potential Li+ conductors" generating interest and discussion form the attendees |
| Year(s) Of Engagement Activity | 2018 |
| Description | 39th International Conference and CCP5 Annual General Meeting 2019; Advances in Simulations and Theory of Matter |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Chris Collins - gave a talk at CCP5 (London, September 2019): "Computationally Driven Materials Discovery" which genereted discussion and questions from the audience |
| Year(s) Of Engagement Activity | 2019 |
| Description | 6th Computational Molecular Science meeting (CMS2019), University of Warwick |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Liam Wilbraham (Martijn's post doc) also gave a talk about PG related work: "Enabling the Exploration of Copolymerisation Space with Machine Learning", 6th Computational Molecular Science meeting (CMS2019), University of Warwick, 27/3/19- 29/3/19 |
| Year(s) Of Engagement Activity | 2019 |
| Description | 6th International Conference on Multifunctional, Hybrid and Nanomaterials, Sitges, Spain |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Seb Sprick gave a talk 'Conjugated polymers for photocatalytic hydrogen evolution from water - Porous or non-porous?' |
| Year(s) Of Engagement Activity | 2019 |
| Description | A talk at 7th UK Solar Fuels Network and Early Career SFN Symposium |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Seb Sprick gave a talk 'Tuning of light absorption and wettability in conjugated polymers for light-driven hydrogen evolution from water' |
| Year(s) Of Engagement Activity | 2019 |
| Description | A talk at ISF-3 Young in Hiroshima (Japan) |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Seb Sprick gave a talk on 'Conjugated Polymer Photocatalysts for Solar Fuel Producti' |
| Year(s) Of Engagement Activity | 2019 |
| Description | ACS Spring meeting, New Orleans |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Zwijnenburg attended the ACS Spring meeting, 18-21 March 2018, New Orleans, and delivered an invite talk on "Photocatalytic watersplitting: What can we learn from theory", and a contributed talk on "Integrated experimental and computational high-throughput screening for polymer photocatalysts". |
| Year(s) Of Engagement Activity | 2018 |
| Description | Arnaud Perez gave a talk at the Virtual Spring & Fall MRS meeting, Dec. 2020 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Arnaud Perez, talk: "Na2Fe2OS2, a new earth abundant oxysulphide cathode material for Na-ion batteries" at the Virtual Spring & Fall MRS meeting, Dec. 2020 |
| Year(s) Of Engagement Activity | 2020 |
| Description | Artificial Photosynthesis Faraday Discussion, Cambridge |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Martijn Zwijnenburg gave talks about PG related work "Computational high-throughput screening of polymeric photocatalysts: exploring the effect of composition, sequence isomerism and conformational degrees of freedom" at the Artificial Photosynthesis Faraday Discussion, Cambridge, 25/3/19 -27/3/19 |
| Year(s) Of Engagement Activity | 2018 |
| Description | BCA Spring Meeting, University of Warwick |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Matthew Dyer - BCA Spring Meeting, University of Warwick, UK, Monday 26 - Thursday 29 March, 2018, Keynote speech: M.S. Dyer (University of Liverpool), Combining computational structure prediction and experimental crystallography in the discovery of complex oxides |
| Year(s) Of Engagement Activity | 2018 |
| Description | BP Materials Technology Outlook |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Prof Rosseinsky invited as plenary speaker at the BP Materials Technology Outlook review of Advanced Materials. |
| Year(s) Of Engagement Activity | 2016 |
| Description | Ben Slater gave a departmental seminar at Warwick - March 13th 2020 Department of chemistry (Physical) |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Professional Practitioners |
| Results and Impact | o Ben Slater gave a departmental seminar at Warwick - March 13th 2020 Department of chemistry (Physical). |
| Year(s) Of Engagement Activity | 2020 |
| Description | COP26 'The North West presents - Talking about my generation' Panel Discussion |
| Form Of Engagement Activity | A broadcast e.g. TV/radio/film/podcast (other than news/press) |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Policymakers/politicians |
| Results and Impact | PhD student Kate Thompson was an invited panel member for 'The North West presents - Talking about my generation' at COP26 in Glasgow - a discussion between the innovators of today and the next generation of young scientists. The panel was streamed live across the World. |
| Year(s) Of Engagement Activity | 2021 |
| Description | Centre European de Calcul Atomique et Moleculaire workshop: Accelerating material discovery by smart high-throughput computations |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Chris Collins gave an invited talk at CECAM workshop: Accelerating material discovery by smart high-throughput computations (Liverpool, July 2019): "Computationally Driven Materials Discovery" generating interest, discussion and questions from the atendees. |
| Year(s) Of Engagement Activity | 2019 |
| Description | Chair, breakout session, RS Net Zero Aviation Workshop, December 2020 |
| Form Of Engagement Activity | A formal working group, expert panel or dialogue |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | • Chair, breakout session on the opportunities and challenges of using Efuels (Sustainable Aviation Fuel) in powering aviation in a net zero-carbon future for both short and long haul, RS Net Zero Aviation Workshop, December 2020 |
| Year(s) Of Engagement Activity | 2020 |
| Description | Designing forcefields conference (C.Collins) |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Workshop on Designing Forcefields in an age of cheap computing. A talk was given by a team member on "accelerated discovery of two crystal structure types in a complex inorganic phase field". The purpose was to disseminated results of the study and exchange best practice amongst the academic community. |
| Year(s) Of Engagement Activity | 2017 |
| Description | Dr Linijang Chen gave an invited lecture at School of Energy Science and Engineering, University of Electronic Science and Technology of China, China in November 2016 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation on 'Computer Aided Materials Science: Towards De Novo Design of Function for Molecular Materials' for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2016 |
| Description | Dr Linijang Chen gave an invited lecture at the Adsorption & Advanced Materials Lab, Department of Chemical Engineering & Biotechnology, University of Cambridge, UK in June 2017 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation on 'Synergy between simulation and experiment: understanding gas adsorption in porous organic molecules' for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2017 |
| Description | Dr Linijang Chen gave an invited lecture at the Aston Institute of Photonic Technologies, Aston University, UK in May 2017 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation on 'Integration of computation and experiment for accelerated discovery of materials functions' at Aston Institute of Photonic Technologies, Aston University, UK in May 2017. |
| Year(s) Of Engagement Activity | 2017 |
| Description | Dr Linijang Chen gave an invited lecture at the Collaborative Innovation Center for Micro/Nano Fabrication, Device and System, Southeast University, China in November 2016. |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation on 'Computer Aided Materials Science: Towards De Novo Design of Function for Molecular Materials', for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2016 |
| Description | Dr Sebastian Sprick gave an invited lecture at the Autonomous University of Chihuahua, Chihuahua, Mexico in March 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Undergraduate students |
| Results and Impact | Presentation on 'Organic Polymer Photocatalysts for Solar Fuels Production' for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Dr Sebastian Sprick gave an invited lecture at the Centro de Investigación y Desarrollo Tecnológico en ElectroquÃmica, Pedro Escobedo, Mexico in March 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation on 'Organic photocatalysts for solar fuels production' for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Dr Sebastian Sprick gave an invited lecture at the Faculty of Physics and International Laser Center, M. V. Lomonosov Moscow State University, Russia in August 2017 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation on 'Conjugated Polymer Photocatalysts for Light-driven Hydrogen Evolution from Water' for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2017 |
| Description | Dr Sebastian Sprick gave an invited lecture at the Institute of Polymertechnology, Bergische Universität Wuppertal, Wuppertal, Germany in June 2017. |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation on 'Conjugated organic polymers for photochemical hydrogen evolution' for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2017 |
| Description | Dr Sebastian Sprick gave an invited lecture at the Instituto de Investigaciones en Materiales UNAM, Mexico City, Mexico in March 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation on 'Organic photocatalysts for solar fuels production' for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Dr Sebastian Sprick gave an invited lecture at the Max-Planck-Institut für Polymerforschung, Mainz, Germany in June 2017 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation on 'Conjugated polymer photocatalysts for light-driven hydrogen evolution' for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2017 |
| Description | Dr Sebastian Sprick gave an invited lecture at the School of Materials Science and Engineering, Faculty of Science, Mahidol University at Salaya, Nakhon Pathom, Thailand in April 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Undergraduate students |
| Results and Impact | Presentation on 'Applying conjugated polymers to new fields: Photocatalytic water splitting' for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Dr Sebastian Sprick presentation at 5th UK Solar Fuels Symposium |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation ''Conjugated microporous polymers for photocatalytic hydrogen evolution' |
| Year(s) Of Engagement Activity | 2017 |
| Description | European Materials Research Society |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Arnaud Perez gave a talk at EMRS spring meeting (29/05/2019): "Stabilization of O-O bonds by d0 cations in Li4.15Ni0.85WO6 as the origin of large voltage hysteresis" generating discussion and questions from the audience. |
| Year(s) Of Engagement Activity | 2019 |
| Description | Faraday Discussion - Methods and applications of crystal structure prediction |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Chris Collins presented a paper "The [CC1} Flexible Unit Structure Engine (FUSE) for probe structure-based composition prediction" at the Faraday Discussion Methods and applications of crystal structure prediction 11-13 July 2018 at Cambridge, generating discussion and debate amongst the attendees |
| Year(s) Of Engagement Activity | 2018 |
| Description | Felix Shin presentation International Conference on Solid State Ionics |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation on perovskite composite cathodes for intermediate temperature solid oxide fuel cells, for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2017 |
| Description | Furio Cora gave an invited lecture at the Summer School Modelling and Simulation in Solid State Chemistry (MSSC2020), Imperial College, Sept 2020 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Furio Cora gave an invited lecture "One electron properties", Summer School Modeling and Simulation in Solid State Chemistry (MSSC2020), Imperial College, Sept 2020 |
| Year(s) Of Engagement Activity | 2020 |
| Description | Furio Cora visited the Theoretical Chemistry Group (Univ. of Turin), Feb 2020 to discuss simulations of thermoelectric materials. |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | o Furio Cora visited the Theoretical Chemistry Group (Univ. of Turin), Feb 2020 to discuss simulations of thermoelectric materials. |
| Year(s) Of Engagement Activity | 2020 |
| Description | ISIS Crystallography Winter Meeting, November 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Jacinthe Gamon presented a talk at the ISIS Crystallography Winter Meeting, 4-5 November 2019: "Introducing disorder in lithium sulfide hcp packing structures through mixed anion chemistry: a way to improve conductivity" which generated interest and discussion from the attendees. |
| Year(s) Of Engagement Activity | 2019 |
| Description | India-UK Workshop on Thermoelectric Materials for Waste-Heat Harvesting, Bangalore |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Prof Cora and Dr Ling invited to the India-UK Workshop on Thermoelectric Materials for Waste-Heat Harvesting, 8-10 Jan 2018, Bangalore, India, where Dr Ling gave the talk "Phonon-Glass Electron-Crystal Behaviour by A-site Disorder in n-Type Thermoelectric Oxides". |
| Year(s) Of Engagement Activity | 2018 |
| Description | Invited contribution at Polymer Photocatalysts for Solar Fuels Synthesis meeting, London, United Kingdom, 13-14/04/16 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Other audiences |
| Results and Impact | The project and latest results were presented to the relevant UK community by Dr R.S. Sprick in an invited talk at the Polymer Photocatalysts for Solar Fuels Synthesis meeting in London. |
| Year(s) Of Engagement Activity | 2016 |
| Description | Invited seminar at College of Chemistry, Fuzhou University, P. R. China |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | The project and latest results were presented to the College of Chemistry at Fuzhou University by Dr R.S. Sprick in an invited seminar. Discussion with group of Prof. Xinchen Wang resulted in performance evaluation of materials made in Liverpool. |
| Year(s) Of Engagement Activity | 2016 |
| Description | Invited talk - University of Warwick |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Postgraduate students |
| Results and Impact | Dr Luke Daniels gave a talk at the University of Warwick on 28/06/19 with the title: "Perovskite oxides as thermoelectric materials" generating interest and questions from the audience. |
| Year(s) Of Engagement Activity | 2019 |
| Description | Invited talk - University of York |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Professional Practitioners |
| Results and Impact | Paul Sharp gave a talk at the University of York on 17/12/18 with the title: "A Computational Study of Zinc Occupation in Mixed-Layer Hexaferrites" generating interest and questions from the audience |
| Year(s) Of Engagement Activity | 2018 |
| Description | JM Academic conference 2016 |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Postgraduate students |
| Results and Impact | Professor Rosseinsky was invited to present on materials design at JM Academic conference as plenary speaker. |
| Year(s) Of Engagement Activity | 2016 |
| Description | Jessica Stoner presentation at RSC SSCG Meeting 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation "Chemical control of correlated metals as transparent conductors" given. |
| Year(s) Of Engagement Activity | 2018 |
| Description | Jonathan Alaria attended a seminar at CRISMAT Caen (Correlated materials for function) 10/01/20 |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | o Jonathan Alaria ? Seminar at CRISMAT Caen (Correlated materials for function) 10/01/20 |
| Year(s) Of Engagement Activity | 2020 |
| Description | Jonathan Alaria participated in a meeting on topological materials applications with ARM and KCMC |
| Form Of Engagement Activity | A formal working group, expert panel or dialogue |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Professional Practitioners |
| Results and Impact | o Jonathan Alaria June 2020: meeting on topological materials applications with ARM (Rainer Herberholz) and KCMC (Steve McBride) |
| Year(s) Of Engagement Activity | 2012,2020 |
| Description | Jonathan Alaria visited CRISMAT Caen |
| Form Of Engagement Activity | A formal working group, expert panel or dialogue |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | o Jonathan Alaria ? Visited CRISMAT Caen (JA and JBC) from 07/01/20 - 10/01/20 to discuss EM of YBaTiO compound and thermal conductivity measurement of BiOSeCl |
| Year(s) Of Engagement Activity | 2020 |
| Description | Jonathan Alaria visited HMFL Nijmegen |
| Form Of Engagement Activity | A formal working group, expert panel or dialogue |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | o Jonathan Alaria ? February 2020: visited HMFL Nijmegen for high magnetic field measurements on topological materials (collaboration with Cambridge) |
| Year(s) Of Engagement Activity | 2020 |
| Description | Liverpool Inorganic Crystal Structure Prediction Tools workshop - 13 April 2021 |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Professional Practitioners |
| Results and Impact | The event was a workshop to introduce and demonstrate use of our own crystal structure prediction codes and methods to interested parties external to UoL. Due to COVID restrictions it had to be run online and because of demand we ran it twice first time for 28 international researchers, second time for 31 participants, where the numbers were limited by the number of developers available to coach in the hands-on tutorial sessions. Participants came from 14 different countries and 33 different organizations. From this we have developed one close collaboration, and hope to have others using our codes in future releases. |
| Year(s) Of Engagement Activity | 2021 |
| URL | http://pcwww.liv.ac.uk/~msd30/livcsp/ |
| Description | Luke Daniels presentation UK Thermoelectric Network Meeting |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation entitled "New n-Type Thermoelectric Oxides with the Perovskite Structure" given. |
| Year(s) Of Engagement Activity | 2018 |
| Description | Luke Daniels presentation at EuChems 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation entitled "New n-Type Thermoelectric Oxides with the Perovskite Structure" given. |
| Year(s) Of Engagement Activity | 2018 |
| Description | MJR gave an invited lecture: "Digital Routes to Functional Materials" Advanced Materials Network MISE Finale Workshop 21-22 June 2021 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | • "Digital Routes to Functional Materials" Advanced Materials Network MISE Finale Workshop 21-22 June 2021 |
| Year(s) Of Engagement Activity | 2022 |
| Description | MOF2018, Auckland, New Zealand |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Martijn Zwijnenburg gave talks about PG related work: "Covalent Triazine Frameworks and Covalent Organic Frameworks as Watersplitting Photocatalysts" |
| Year(s) Of Engagement Activity | 2018 |
| Description | MPI Meeting December 2016 |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Postgraduate students |
| Results and Impact | Jon Alaria attended a MPI meeting on materials design and discovery at Ringberg Castle, December 12-14 2016. |
| Year(s) Of Engagement Activity | 2016 |
| Description | MRS Fall Meeting & Exhibit, Boston |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Seb Sprick gave a talk on 'Design and high throughput discovery of conjugated polymer photocatalysts for photocatalytic hydrogen evolution from water' |
| Year(s) Of Engagement Activity | 2019 |
| Description | Martijn Zwijnenburg gave a talk N3C Dutch Catalysis and Chemistry Conference |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | o Martijn Zwijnenburg: Talk "Understanding the Activity of Polymer Hydrogen Evolution Photocatalysts", 02-05 March 2020, N3C Dutch Catalysis and Chemistry Conference, Noordwijkerhout, the Netherlands. |
| Year(s) Of Engagement Activity | 2020 |
| Description | Martijn Zwijnenburg gave a talk at the Symposium Defect Functionalized Sustainable Energy Materials: From Design to Devices Application, TokyoTech, Japan. |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | o Martijn Zwijnenburg: Talk "Modelling of photocatalytic materials", 18 February 2020, Symposium Defect Functionalized Sustainable Energy Materials: From Design to Devices Application, TokyoTech, Japan. |
| Year(s) Of Engagement Activity | 2020 |
| Description | Materials Chemistry 13 - Liverpool, July 2017 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Chris Collins gave a talk "Accelerated discovery of two crystal structure types in a complex inorganic phase field" at the RSC Materials Chemistry conference (MC13) -10-13 July 2018 at Liverpool, generating discussion and debate amongst the attendees |
| Year(s) Of Engagement Activity | 2017 |
| Description | Materials Chemistry 14 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Chris Collins gave a talk at MC14 (Birmingham, July 2019): "Computationally Driven Materials Discovery" generating discussion and questions from the audience |
| Year(s) Of Engagement Activity | 2019 |
| Description | Materials Conference 15 (MC15) |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Poster presentation at MC15. Title "Discovery of a low thermal conductivity oxide guided by probe structure prediction and machine learning". |
| Year(s) Of Engagement Activity | 2021 |
| Description | Materials Conference 15 (MC15) |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Poster presentation at MC15. Title "Elemental selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry". |
| Year(s) Of Engagement Activity | 2021 |
| Description | Materials Conference 15 (MC15) |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Talk given at MC15. Title "Control of electronic and structural properties through multiple anion enabled superlattice design and synthesis". |
| Year(s) Of Engagement Activity | 2021 |
| Description | Matt Rosseinsky gave a talk at International Winter School "Frontiers in Materials Science", Dec 2021 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Other audiences |
| Results and Impact | • Design and Discovery of Functional Materials - Synthesis, Structure, Computation and Machine Learning, International Winter School "Frontiers in Materials Science", Dec 2021 |
| Year(s) Of Engagement Activity | 2022 |
| Description | Matthew Dyer gave a talk at tje Faraday Institution Conference, 25 November 2020 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Matthew Dyer: Talk "Materials Discovery for Solid State Batteries", Faraday Institution Conference 2020, 25 November 2020 |
| Year(s) Of Engagement Activity | 2020 |
| Description | N8 New Horizons in Materials Modelling, January 2020 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Paul Sharp presented a poster at the N8 New Horizons in Materials Modelling workshop, 10 January, titled "Chemically Directed Structure Evolution for Materials Discovery" which generated interest and questions for the attendees. |
| Year(s) Of Engagement Activity | 2020 |
| Description | Participation in webinar organised by Science as sole UK participant |
| Form Of Engagement Activity | A broadcast e.g. TV/radio/film/podcast (other than news/press) |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Media (as a channel to the public) |
| Results and Impact | Science magazine organised a webinar at the Merck Curious 2018 event in Darmstadt. An international cross-disciplinary panel (Mary A. Voytek, Ph.D. NASA, Yang Shao-Horn, MIT Cambridge, MA; Christina Smolke, Ph.D. Stanford University Stanford, CA; Friederike Schüür, Ph.D. Cloudera New York, NY; Matt Rosseinsky, Ph.D. University of Liverpool Liverpool, U.K.; Emmanuel Charpentier, Ph.D. Max Planck Institute for Infection Biology Berlin, Germany) discussed the future opportunities and challenges in science in a two hour webinar in front of a live audience in Darmstadt which was broadcast over the web. |
| Year(s) Of Engagement Activity | 2018 |
| URL | https://www.sciencemag.org/custom-publishing/webinars/technology-breakthrough-year-compelling-scienc... |
| Description | Poster by Mr Duncan Woods at Joint Solar Fuels Network and SuperSolar Symposium: Materials for Solar Energy Conversion |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Poster title: 'Solution-processable polymer photocatalysts for hydrogen evolution from water' |
| Year(s) Of Engagement Activity | 2017 |
| Description | Poster presentations at New directions in porous crystalline materials: Faraday Discussions |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Poster: "Computer Aided Materials Discovery and Design of Porous Organic Molecular Crystals", L. Chen, A.I. Cooper and "Conjugated microporous polymers for photocatalytic hydrogen evolution", D.J. Woods, R.S. Sprick, A.I. Cooper |
| Year(s) Of Engagement Activity | 2017 |
| Description | Posters and talks at Macro Group Young Researchers' Meeting |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentations by Dr Sprick, Mr Bai and poster by Ms Aitchison. |
| Year(s) Of Engagement Activity | 2018 |
| Description | Posters and talks at Polymer Advanced Technologies |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Postgraduate students |
| Results and Impact | Talks by Dr Vogel, Dr Sprick and Ms Aitchison on the use of polymers for hydrogen production from water. |
| Year(s) Of Engagement Activity | 2017 |
| Description | Presentation at N8 HPC/ccp5 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | M. Dyer presented a talk on Computational study of Li+ ion dynamics in the new perovskite La3Li3W2O12. The purpose was to disseminate results, stimulate discussion and exchange best practice within the academic community |
| Year(s) Of Engagement Activity | 2017 |
| Description | Presentation by Dr Linjiang Chen at 11th International Symposium on the Characterization of Porous Solids (COPS-XI) |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | The title of the talks was 'Computer Aided materials science: towards de novo design of function for molecular materials' |
| Year(s) Of Engagement Activity | 2017 |
| Description | Presentation by Dr Liu at Young Investigator EuroMOF Symposium |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Postgraduate students |
| Results and Impact | Conference talk entitled 'Protonic conductivity in organic cages and related porous solids' |
| Year(s) Of Engagement Activity | 2017 |
| Description | Presentation by Dr Ming Liu at China National Supramolecular Chemistry Conference |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | The title of the talk was 'Precisely control the cavity of porous organic cages by post-synthetic modification' |
| Year(s) Of Engagement Activity | 2018 |
| Description | Presentation by Dr Sebastian Sprick at the 2nd Biannual International Solar Fuels Conference |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Title of the talk was 'Poly(para-phenylene) type polymers for photocatalytic hydrogen evolution' |
| Year(s) Of Engagement Activity | 2017 |
| Description | Presentation by Dr Sebastian Sprick at the 3rd Molecules and Materials for Artificial Photosynthesis Conference |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | The title of the talks was 'Conjugated polymers for photocatalytic hydrogen evolution' |
| Year(s) Of Engagement Activity | 2018 |
| Description | Presentation by Dr Sebastian Sprick at the 5th International Conference on Multifunctional, Hybrid and Nanomaterials |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation title: Conjugated microporous polymers as photocatalysts for light-driven hydrogen evolution from water |
| Year(s) Of Engagement Activity | 2017 |
| Description | Presentation by Mr Christian Meier at Postgraduate Afternoon at the 5th UK Solar Fuels Network Symposium |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation 'Structure-property relationships for covalent-triazine frameworks: the effect of spacer length on photocatalytic hydrogen evolution from water' |
| Year(s) Of Engagement Activity | 2017 |
| Description | Presentation by Mr Duncan Woods at 256th American Chemical Society National Meeting & Exposition |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Title of the talk was 'Solution-processable polymer photocatalysts for hydrogen evolution from water' |
| Year(s) Of Engagement Activity | 2018 |
| Description | Presentation by Mr Duncan Woods at Macro Group UK Young Researchers' Meeting |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Postgraduate students |
| Results and Impact | Title of the talk was 'Solution-Processable Polymer Photocatalysts for Hydrogen Evolution from Water' |
| Year(s) Of Engagement Activity | 2017 |
| Description | Presentation by Mr Duncan Woods at Postgraduate Afternoon at the 5th UK Solar Fuels Network Symposium, Newcastle |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation 'Towards solution-processable polymer photocatalysts for hydrogen evolution from water' |
| Year(s) Of Engagement Activity | 2017 |
| Description | Press release associated with Science paper Low thermal conductivity in a modular inorganic material with bonding anisotropy and mismatch |
| Form Of Engagement Activity | A press release, press conference or response to a media enquiry/interview |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Policymakers/politicians |
| Results and Impact | Press release associated with paper published in Science covered by several media outlets. Sci News Newly-Developed Material Has Extremely Low Thermal Conductivity http://www.sci-news.com/physics/extremely-low-thermal-conductivity-material-09870.html Inside Science New Material Paves Way for Recovering Wasted Energy https://www.insidescience.org/news/new-material-paves-way-recovering-wasted-energy Science Alert Newly Discovered Inorganic Material Has The Lowest Thermal Conductivity Yet https://www.sciencealert.com/sustainability-win-scientists-make-material-with-the-lowest-thermal-conductivity-yet Paper Boat Newly-Developed Materials Has Extremely Low Thermal Conductivity https://paperboat.news/newly-developed-materials-has-extremely-low-thermal-conductivity/ Career Core New Material Has Lowest Thermal Conductivity https://careercore.in/new-material-has-lowest-thermal-conductivity.html |
| Year(s) Of Engagement Activity | 2021 |
| Description | Press release for paper Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry |
| Form Of Engagement Activity | A press release, press conference or response to a media enquiry/interview |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Media (as a channel to the public) |
| Results and Impact | Press release associated with paper "Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry" across many media outlets. Scientific Inquirer New AI technology accelerates discover of truly new materials https://scientificinquirer.com/2021/09/23/new-ai-tech-accelerates-discovery-of-truly-new-materials/ ChemEurope New AI tool accelerates discovery of truly new materials https://www.chemeurope.com/en/news/1172834/new-ai-tool-accelerates-discovery-of-truly-new-materials.html The Next Web Researchers tap AI in search of new wonder materials https://thenextweb.com/news/ai-tool-discovers-new-materials-for-ev-batteries Institute of Materials, Minerals and Mining AI tool discovers four new materials https://www.iom3.org/resource/ai-tool-discovers-four-new-materials.html Ai-summary Summary: New Artificial Intelligence Tool Accelerates Discovery of Truly New Materials https://ai-summary.com/summary-new-artificial-intelligence-tool-accelerates-discovery-of-truly-new-mate/?utm_medium=social-organic&utm_source=twitter Technology.org New AI tool accelerates discovery of new materials https://www.technology.org/2021/09/22/new-ai-tool-developed-by-university-of-liverpool-researchers-accelerates-discovery-of-new-materials/ Zenopa Liverpool University creates a collaborative AI tool to advance material discoveries https://www.zenopa.com/news/3384/liverpool-university-creates-a-collaborative-ai-tool-to-advance-material-discoveries On Artificial Intelligence New AI Tool Accelerates Discovery of Truly New Materials https://www.onartificialintelligence.com/articles/24811/new-ai-tool-accelerates-discovery-of-truly-new-materials?rsst2id=0 Fuenitech New AI tools accelerate the discovery of truly new materials https://fuentitech.com/new-ai-tools-accelerate-the-discovery-of-truly-new-materials/248490/ Science Daily New AI tool accelerates discovery of new materials: The new artificial intelligence tool has already led to the discovery of four new materials https://www.sciencedaily.com/releases/2021/09/210921081007.htm SciTech Daily New Artificial Intelligence Tool Accelerates Discovery of Truly New Materials https://scitechdaily.com/new-artificial-intelligence-tool-accelerates-discovery-of-truly-new-materials/ Tech Times 22 September 2021 University of Liverpool's New AI Could Identify New Materials at a Fast Rate-Quicker and More Efficient Than Humans? Phys.org New AI tool accelerates discovery of truly new materials https://phys.org/news/2021-09-ai-tool-discovery-materials.html The Engineer Collaborative AI tool accelerates material discoveries https://www.theengineer.co.uk/collaborative-ai-tool-makes-material-discoveries/ Engineering & Technology Entirely new materials unearthed with AI tool https://eandt.theiet.org/content/articles/2021/09/entirely-new-materials-unearthed-with-ai-tool/ Scienmag New AI tool developed by University of Liverpool researchers accelerates discovery of truly new materials https://scienmag.com/new-ai-tool-developed-by-university-of-liverpool-researchers-accelerates-discovery-of-truly-new-materials/ IMech News AI system helps discover completely new materials for electric cars https://www.imeche.org/news/news-article/ai-system-helps-discover-completely-new-materials-for-electric-cars Neurons.ai news New Artificial Intelligence Tool Accelerates Discovery of Truly New Materials https://neurons.ai/blog/news-stories/new-artificial-intelligence-tool-accelerates-discovery-of-truly-new-materials-scitechdaily-2/ Science atom New AI Tool Accelerates Discovery Of New Materials https://scienceatom.com/2021/09/new-ai-tool-accelerates-discovery-of-new-materials/ California News Times New Artificial Intelligence Tool Accelerates Discovery of Truly New Materials https://californianewstimes.com/new-artificial-intelligence-tool-accelerates-discovery-of-truly-new-materials/531017/ Florida News Times New AI tools accelerate the discovery of truly new materials https://floridanewstimes.com/new-ai-tools-accelerate-the-discovery-of-truly-new-materials/344967/ |
| Year(s) Of Engagement Activity | 2021 |
| Description | Prof Rosseinsky gave an invited lecture at 7th International Symposium on Integrated Functionalities (ISIF 2019), Dublin, August 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presented on the topic of "Computationally-Enabled Routes to New Inorganic Materials" for dissemination of results and academic discussion |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited lecture at Center for Electronics and Microtechnology (CSEM), Neuchatel, Switzerland, 4 November 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presented on the topic of "Design of advanced materials?" for dissemination of results and academic discussion |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited lecture at Paul Scherrer Intitut, Villigen, Switzerland, 4 November 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presented on the topic of "Design of advanced materials?" for dissemination of results and academic discussion |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited lecture at X-ray and Neutron Scattering and Spectroscopies in Ferroelectric and Multiferroic Research Workshop, London 4 Feb 2019 |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presented on the topic of "Design of advanced materials?" for dissemination of results and academic discussion |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited lecture at the Sino-British forum for collaborative partnership and advanced functional materials, Chengdu, China, September 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presented on the topic of "Design of Advanced Materials?" for dissemination of results and academic discussion |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited lecture at the CDT-PV Summer School & Showcase Event, University of Bath, 12 September 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Postgraduate students |
| Results and Impact | Presented on the topic of "Design of advanced materials?" for dissemination of results and academic discussion |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited lecture at the Centre for Dielectrics and Piezoelectrics, University of Sheffield May 14-15 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presented on the topic of "Design of advanced materials?" for dissemination of results and academic discussion |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited lecture at the Joint NSFC-RSC Symposium on Artificial Intelligence in the Design and Synthesis of Chemicals and Materials, Beijing, November 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presented on the topic of "Design of Advanced Materials?" for dissemination of results and academic discussion |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited lecture at the Sustainable Industrial Processing Summit, Cyprus, 23-27 October 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presented on the topic of "Computationally-Enabled Routes to New Inorganic Materials" for dissemination of results and academic discussion |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited lecture at the Swiss Federal Laboratories for Materials Science and Technology (EMPA), Dubendorf, Switzerland 8 November 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presented on the topic of "Design of advanced materials?" for dissemination of results and academic discussion |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited lecture at École polytechnique fédérale de Lausanne, Switzerland, 7 November 2019, |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presented on the topic of "Design of advanced materials?" for dissemination of results and academic discussion |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited talk at Knowledge Centre for Materials Chemistry Industrial Steering Group meeting, Birmingham, 28 November 2019 |
| Form Of Engagement Activity | A formal working group, expert panel or dialogue |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Industry/Business |
| Results and Impact | Presented on the topic of "Digital Materials Research and Innovation at the Materials Innovation Factory" |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited talk at the 10th International Conference on Materials for Advanced Technologies in Singapore, June 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presented on the topic of "Computationally-Enabled Routes to New Inorganic Materials" for dissemination of results and academic discussion |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited talk at the Knowledge Centre for Materials Chemistry Industrial Steering Group meeting, Birmingham, 04 April 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Industry/Business |
| Results and Impact | Presented on the topic of "EPSRC Programme Grant Progress Update" for dissemination of results |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof Rosseinsky gave an invited talk at the University of Fribourg, Switzerland, 6 November 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presented on the topic of "Design of advanced materials?" for dissemination of results and academic discussion |
| Year(s) Of Engagement Activity | 2019 |
| Description | Prof. Andy Cooper gave an invited lecture at Beijing University of Chemical Technology, Beijing, China on 24th July 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Andy Cooper gave an invited lecture at East China University of Science and Technology, Shanghai, China on 26th July 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Andy Cooper gave an invited lecture at Zhejiang University, Hangzhou, China on 1st Aug. 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Undergraduate students |
| Results and Impact | Presentation for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Andy Cooper gave an invited lecture at the University of Montreal in October 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Andy Cooper gave an invited presentation at McGill University |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Cooper gave a Distinguished Lecturer lecture at Hong Kong Baptist University, Hong Kong on 13th Aug. 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Undergraduate students |
| Results and Impact | Presentation for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Cooper gave a keynote lecture at the 1st International Conference on Data Driven Materials Innovation |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Prof. Cooper gave a keynote lecture at the 1st International Conference on Data Driven Materials Innovation |
| Year(s) Of Engagement Activity | 2021 |
| Description | Prof. Cooper gave a plenary lecture at the Lawrence Berkeley National Laboratory |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Prof. Cooper gave a plenary lecture at the Lawrence Berkeley National Laboratory |
| Year(s) Of Engagement Activity | 2020 |
| Description | Prof. Cooper gave a talk as distinguished seminar speaker for the 2018 Barrer Lecture in November 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Cooper gave a talk at ACS Materials Letters Webinar Series, American Chemical Society |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Prof. Cooper gave a talk at ACS Materials Letters Webinar Series, American Chemical Society |
| Year(s) Of Engagement Activity | 2021 |
| Description | Prof. Cooper gave a talk at Future Labs LIVE |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Prof. Cooper gave a talk at Future Labs LIVE |
| Year(s) Of Engagement Activity | 2020 |
| Description | Prof. Cooper gave a talk at RSC Chemical Science Symposium, India |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Prof. Cooper gave a talk at RSC Chemical Science Symposium, India |
| Year(s) Of Engagement Activity | 2020 |
| Description | Prof. Cooper gave a talk at RSC Chemical Science and Nanjing Anniversary Symposium |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Prof. Cooper gave a talk at RSC Chemical Science and Nanjing Anniversary Symposium |
| Year(s) Of Engagement Activity | 2020 |
| Description | Prof. Cooper gave a talk at the 8th UK Solar Fuels Symposium |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Prof. Cooper gave a talk at the 8th UK Solar Fuels Symposium |
| Year(s) Of Engagement Activity | 2020 |
| Description | Prof. Cooper gave a talk at the Chemical Society, University of Cambridge |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Prof. Cooper gave a talk at the Chemical Society, University of Cambridge |
| Year(s) Of Engagement Activity | 2020 |
| Description | Prof. Cooper gave a talk at the Cooperative phenomena in framework materials: Faraday Discussion |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Prof. Cooper gave a talk at the Cooperative phenomena in framework materials: Faraday Discussion |
| Year(s) Of Engagement Activity | 2020 |
| Description | Prof. Cooper gave a talk at the Eton College's Scientific Society, Eton College, UK |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Undergraduate students |
| Results and Impact | Prof. Cooper gave a talk at the Eton College's Scientific Society, Eton College, UK |
| Year(s) Of Engagement Activity | 2020 |
| Description | Prof. Cooper gave a talk at the RSC Chemical Science Symposium, UK |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Prof. Cooper gave a talk at the RSC Chemical Science Symposium, UK |
| Year(s) Of Engagement Activity | 2020 |
| Description | Prof. Cooper gave an invited lecture at Fuzhou University, Fuzhou, China on 4th Aug. 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Undergraduate students |
| Results and Impact | Presentation for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Cooper gave an invited lecture at Jinan University, Guangzhou, China on 14th Aug. 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Undergraduate students |
| Results and Impact | Presentation for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Cooper gave an invited lecture at Northwestern Polytechnic University, Xi'an, China on 8th Aug. 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Undergraduate students |
| Results and Impact | Presentation for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Cooper gave an invited lecture at Shaanxi Normal University, Xi'an, China on 6th Aug. 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Undergraduate students |
| Results and Impact | Presentation for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Cooper gave an invited lecture at Taizhou University, Taizhou, China on 2nd Aug. 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Undergraduate students |
| Results and Impact | Presentation for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Cooper gave an invited lecture at Wuhan Institute of New Energy, Wuhan, China on 10th Aug. 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Undergraduate students |
| Results and Impact | Presentation for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Cooper gave an invited seminar at the Royal Society Discussion Meeting |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation by Prof. Cooper |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Cooper gave the Cambridge Chemistry Lewis Lecture, University of Cambridge, UK |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Prof. Cooper gave the Cambridge Chemistry Lewis Lecture, University of Cambridge, UK |
| Year(s) Of Engagement Activity | 2020 |
| Description | Prof. Rosseinsky gave an invited lecture at 24th workshop on Oxide Electronics, 2017 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation on "Crystal Chemistry and Computation in the Design and Discovery of Oxide Materials and Interfaces", for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2017 |
| Description | Prof. Rosseinsky gave an invited lecture at 5th Thomas Young Centre Energy materials Workshop, 25-26 July 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation on "New Approaches to the Discovery of Inorganic Materials and Interface", for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Rosseinsky gave an invited lecture at Curios 2018 Future Insight Conference, 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation on "Science Roundtable: Technology Breakthrough of the Year", for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Rosseinsky gave an invited lecture at EMA Florida, 2017 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation on "Symmetry, calculation and synthesis in the search for room temperature multiferroic magnetoelectric oxides", for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2017 |
| Description | Prof. Rosseinsky gave an invited lecture at EPFL Valais Wallis Seminar series, 2017 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation on "Design of advanced materials?", for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2017 |
| Description | Prof. Rosseinsky gave an invited lecture at EuCheMs Congress, 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation on "New approaches to the discovery of inorganic materials and interfaces", for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Rosseinsky gave an invited lecture at Fudan University 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation on 'Design of Advanced materials?', for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Rosseinsky gave an invited lecture at Inorganic Chemistry research seminar, 2017 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation on "Design of Advanced Materials?", for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2017 |
| Description | Prof. Rosseinsky gave an invited lecture at Quantum Materials Synthesis 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Talk on New approaches to the discovery of inorganic materials and interfaces, for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Rosseinsky gave an invited lecture at RSC (Scottish) Dalton Meeting, 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation on "Design of Advanced Materials", for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Rosseinsky gave an invited lecture at Symposium on Quantum Materials Synthesis: Grand Challenges and Opportunities, 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation on "New approaches to the discovery of inorganic materials and interfaces", for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Rosseinsky gave an invited lecture at UKSR50 - 50 years of Synchrotron Radiation in the UK and its global impact, 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation on "Design of advanced materials? The importance of knowing where the atoms are.", for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Rosseinsky gave an invited lecture at University of Chicago, 2017 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation on "Design of advanced materials?", for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2017 |
| Description | Prof. Rosseinsky gave an invited lecture at Wuhan University 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation on "Design of Advanced Materials?", for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Prof. Rosseinsky gave an invited lecture at Wuhan University 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Postgraduate students |
| Results and Impact | Presentation on 'Design of Advanced Materails?', for the dissemination of results for academic discussion |
| Year(s) Of Engagement Activity | 2018 |
| Description | Quantum Materials Symposium 2019 |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Co-organised international conference with Oxford Physics (Radaelli) and Edinburgh CSEC (Attfield) - this was the 4th in a series of international meetings and allowed the UK community to showcase its activities to the global community. It featured a public lecture by Professor S. Blundell (Oxford). |
| Year(s) Of Engagement Activity | 2019 |
| URL | https://qms.web.ox.ac.uk/ |
| Description | Quinn Gibson presentation at EuChems 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation given detailing new layered multiple-anion homologous series. |
| Year(s) Of Engagement Activity | 2018 |
| Description | RSC Materials Chemistry Division Poster Symposium |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Postgraduate students |
| Results and Impact | Dr Andrij Vasylenko presented a poster at the RSC Materials Chemistry Division Poster Symposium, 20th January 2021 |
| Year(s) Of Engagement Activity | 2021 |
| Description | RSC SSCG Webinars 2020 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Chris Collins was invited to present his research in the form of a talk via Webinar for the RSC SSCG Webinar series, July 2020. The talk was titled "Probe structure discovery of ionic materials" |
| Year(s) Of Engagement Activity | 2020 |
| Description | RSC Solid State Chemistry Group Christmas Meeting 2021 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Oral contribution to RSC Solid State Chemistry Group Christmas Meeting 2021. Title "Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability". |
| Year(s) Of Engagement Activity | 2021 |
| Description | RSC Solid State Chemistry Group Christmas Meeting 2021 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Talk given at RSC Solid State Chemistry Group Christmas Meeting 2021. Title "Low thermal conductivity in a modular inorganic material with bonding anisotropy and mismatch" |
| Year(s) Of Engagement Activity | 2021 |
| Description | RSC Solid State Chemistry Group Christmas Meeting 2021 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Poster presentation at RSC Solid State Chemistry Group Christmas Meeting 2021. Title: "Elemental selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry" |
| Year(s) Of Engagement Activity | 2021 |
| Description | RSC Solid State Chemistry Group Christmas Meeting 2021 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Talk given at RSC Solid State Chemistry Group 2021 Christmas Meeting. Title "Discovery of a low thermal conductivity oxide guided by probe structure prediction and machine learning". |
| Year(s) Of Engagement Activity | 2021 |
| Description | RSC Solid State Chemistry Group meeting |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Professional Practitioners |
| Results and Impact | The project vision together with latest results will be presented to a key sector of the relevant UK community by Professor Rosseinsky in a plenary talk at the RSC Solid State chemistry group meeting, backed by several poster presentations from the group. |
| Year(s) Of Engagement Activity | 2016 |
| Description | RSC Solid State Group Christmas Meeting, December 2018 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Policymakers/politicians |
| Results and Impact | Four posters were presented by team members to disseminate results and stimulate discussion about projects within the programme grant. |
| Year(s) Of Engagement Activity | 2018 |
| Description | RSC Solid State Group Christmas Meeting, December 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Mr Tolly Robinson presented a poster at the RSC Solid State Chemistry Group Christmas meeting, 16-17 December 2019: "Inorganic Oxide Materials for Thermoelectric Energy Production" which generated interest and discussion from the attendees. |
| Year(s) Of Engagement Activity | 2019 |
| Description | RSC Solid State Group Christmas Meeting, December 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Mr Rhun Morris presented a poster at the RSC Solid State Chemistry Group Christmas meeting, 16-17 December 2019: "Assessing Potential Hopping Pathways in Ionic Conductors Using the Bond Valence Sum Mapping Method" which generated interest and discussion from the attendees. |
| Year(s) Of Engagement Activity | 2019 |
| Description | RSC Solid State Group Christmas Meeting, December 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Jacinthe Gamon presented a poster at the RSC Solid State Chemistry Group Christmas meeting, 16-17 December 2019: "Introducing disorder in lithium sulfide hcp packing structures through mixed anion chemistry: a way to improve conductivity" which generated interest and discussion from the attendees |
| Year(s) Of Engagement Activity | 2019 |
| Description | RSC Solid State Group Christmas Meeting, December 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | William Thomas presented a poster at the RSC Solid State Chemistry Group Christmas meeting, 16-17 December 2019: "Structural and electrochemical diversity in the Li-Mn-Ta-O phase field for Li-ion cathode materials" which generated interest and discussion from the attendees |
| Year(s) Of Engagement Activity | 2019 |
| Description | RSC Solid State Group Christmas Meeting, December 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Jonathan Alaria presented poster at the RSC Solid State Chemistry Group Christmas meeting, 16-17 December 2019: "Probing the bulk Fermi-surface of PdSn4 and its electrochemical activity" which generated interest and discussion from the attendees. |
| Year(s) Of Engagement Activity | 2019 |
| Description | RSC Solid State Group Christmas Meeting, December 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Quinn Gibson presented a poster at the RSC Solid State Chemistry Group Christmas meeting, 16-17 December 2019 "Modular design via multiple anion chemistry of the high mobility van der Waals semiconductor Bi4O4SeCl2" which generated interest and discussion from the attendees. |
| Year(s) Of Engagement Activity | 2019 |
| Description | RSC Solid State Group Christmas Meeting, December 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Luke Daniels presented a poster at the RSC Solid State Chemistry Group Christmas meeting, 16-17 December 2019: "Enhanced Long-term Stability in an SOFC Cathode Material by Tuning Nanostructures" which generated interest and discussion from the attendees. |
| Year(s) Of Engagement Activity | 2019 |
| Description | RSC Solid State Group Christmas Meeting, December 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Mr Philip Murgatroyd presented a poster at the RSC Solid State Chemistry Group Christmas meeting, 16-17 December 2019: "Room temperature magnetocaloric effect in MnZnSb" which generated interest and discussion from the attendees |
| Year(s) Of Engagement Activity | 2019 |
| Description | RSC Solid State Group Christmas Meeting, December 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Paul Sharp presented a poster at the RSC Solid State Chemistry Group Christmas meeting 16-17 December 2019, titled "Chemically Directed Structure Evolution for Materials Discovery" which generated interest and questions for the attendees. |
| Year(s) Of Engagement Activity | 2019 |
| Description | RSC Solid State Group Christmas Meeting, December 2019 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Quinn Gibson gave a talk at the RSC Solid State Group Christmas Meeting, 16-17 December 2019: "New functional materials through multiple anion chemistry" which generated questions from the audience |
| Year(s) Of Engagement Activity | 2019 |
| Description | Royal Society meeting Energy materials for a low carbon future |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Mr Bernhard Leube attended and presented a poster at the Royal Society meeting "Energy materials for a low carbon future", London 17th-18th September 2018: Li+ diffusion in phosphorus-free Li4.4Al0.4M0.6S4 (M= Ge, Sn) generating discussion with the attendees. |
| Year(s) Of Engagement Activity | 2018 |
| Description | Sanliang Ling presentation at India-UK workshop on thermoelectric materials for waste-heat harvesting |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Presentation given "Phonon-glass electron-crystal behaviour by A site disorder in n-type thermoelectric oxides". |
| Year(s) Of Engagement Activity | 2018 |
| Description | Talk at Joint UK Solar Fuels Network-SuperSolar workshop on Solar Energy Conversion and Storage, London, UK |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Joint UK Solar Fuels Network-SuperSolar workshop on Solar Energy Conversion and Storage discussing overlap between solar fuels and OPV. Seb Sprick gave the talk 'Design and high throughput discovery of conjugated polymer photocatalysts for photocatalytic hydrogen evolution from water' |
| Year(s) Of Engagement Activity | 2019 |
| Description | Talk at Recent Appointees in Polymer Science Meeting by Dr Seb Sprick |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Title of the talk was 'Heterocyclic conjugated polymers for photocatalytic hydrogen evolution from water - Porous or non-porous?' |
| Year(s) Of Engagement Activity | 2019 |
| Description | Talks and poster presentations at MC13 |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Three talks and four posters were presented by team members to disseminate results and stimulate discussion about projects within the programme grant. |
| Year(s) Of Engagement Activity | 2017 |
| Description | Talks and posters at European Conference for Solid State Chemistry |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Three posters presented to disseminate results |
| Year(s) Of Engagement Activity | 2017 |
| Description | The Big Bang Fair North West |
| Form Of Engagement Activity | Participation in an activity, workshop or similar |
| Part Of Official Scheme? | No |
| Geographic Reach | Regional |
| Primary Audience | Schools |
| Results and Impact | "The Big Bang North West welcomed over 8000 school children to the Exhibition Centre Liverpool on July 2 to enjoy a fun filled day of science, technology, engineering and maths (STEM) activities, from virtual reality experiences to colourful scientific shows." In collaboration with the Manchester Museum of Science and Industry, a team from the University of Liverpool led by Becky Greenaway, engaged with school students at the North West Big Bang STEM event using our outreach programme: 'The Hole Story'. |
| Year(s) Of Engagement Activity | 2019 |
| Description | The UK Chapter of the American Ceramic Society workshop on "Advanced Ceramics for Energy applications: From Conversion to Storage |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Dr Matthew Dyer gave an invited talk at The UK Chapter of the American Ceramic Society workshop on "Advanced Ceramics for Energy applications: From Conversion to Storage", University of Liverpool, March 20, 2018: "Combining computation with experiment to understand and improve Li ion conducting oxides." generating discussion and questions from the attendees |
| Year(s) Of Engagement Activity | 2018 |
| Description | The UK Chapter of the American Ceramic Society workshop on "Advanced Ceramics for Energy applications: From Conversion to Storage" |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Professional Practitioners |
| Results and Impact | Mr Bernhard Leube presneted a poster at the The UK Chapter of the American Ceramic Society workshop on Advanced Ceramics for Energy Applications workshop on 20th of March 2018: "sulphide based high-entropy rock salts as potential lithium ion conductors" and won a poster prize, the poster generated much interest and discussion among the attendees. |
| Year(s) Of Engagement Activity | 2018 |
| Description | Third Bunsen Colloquium on Solid-State Batteries |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Professional Practitioners |
| Results and Impact | Mr Bernhard Leube attended and presented a talk at the Third Bunsen Colloquium on Solid-State Batteries, November 14 - 16, 2018 in Frankfurt/Main: "Lithium transport in Li4.4M0.4M'0.6S4 (M= Al3+, Ga3+ and M'= Ge4+, Sn4+): Combined crystallographic, conductivity, solid state NMR and computational studies" generating questions and discussion from the attendees |
| Year(s) Of Engagement Activity | 2018 |