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.

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.

Organisations

Publications

10 25 50

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Berardo E (2019) Computational screening for nested organic cage complexes in Molecular Systems Design & Engineering

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Coletta M (2016) Bis-Calix[4]arenes: From Ligand Design to the Directed Assembly of a Metal-Organic Trigonal Antiprism. in Chemistry (Weinheim an der Bergstrasse, Germany)

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Cooper AI (2017) Porous Molecular Solids and Liquids. in ACS central science

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Daniels L (2018) A and B site doping of a phonon-glass perovskite oxide thermoelectric in Journal of Materials Chemistry A

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Day GM (2018) Energy-Structure-Function Maps: Cartography for Materials Discovery. in Advanced materials (Deerfield Beach, Fla.)

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Gibson QD (2017) BiOCuSeCl: Intergrowth of BiOCuSe and BiOSe Stabilized by the Addition of a Third Anion. in Journal of the American Chemical Society

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Gibson QD (2018) BiOCuSeX (X = Cl, Br): A Three-Anion Homologous Series. in Inorganic chemistry

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Guiglion P (2016) Polymer Photocatalysts for Water Splitting: Insights from Computational Modeling in Macromolecular Chemistry and Physics

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Hughes AR (2017) Ultra-Fast Molecular Rotors within Porous Organic Cages. in Chemistry (Weinheim an der Bergstrasse, Germany)

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Jiang S (2017) Oriented Two-Dimensional Porous Organic Cage Crystals. in Angewandte Chemie (International ed. in English)

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Jiang S (2018) Core-Shell Crystals of Porous Organic Cages. in Angewandte Chemie (International ed. in English)

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Jiang S (2017) Oriented Two-Dimensional Porous Organic Cage Crystals in Angewandte Chemie

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Jie K (2017) Styrene Purification by Guest-Induced Restructuring of Pillar[6]arene. in Journal of the American Chemical Society

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Jie K (2018) Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals. in Journal of the American Chemical Society

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Kalfagiannis N (2019) Mid- to far-infrared sensing: SrTiO 3 , a novel optical material in Journal of Materials Chemistry C

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Kearsey R (2019) Accelerated robotic discovery of type II porous liquids in Chemical Science

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Miklitz M (2017) Computational Screening of Porous Organic Molecules for Xenon/Krypton Separation in The Journal of Physical Chemistry C

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Miklitz M (2018) pywindow: Automated Structural Analysis of Molecular Pores. in Journal of chemical information and modeling

 
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 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. 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.
Computational guidance has been key to the development of best-in-class materials for solar hydrogen generation, reported in Nature Chemistry. 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 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. These concepts are being computationally understood in order to use them predictively.
Exploitation Route In the accelerated identification of new materials in other research areas.
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 Industrial Steering Group meeting in June 2017 and September 2018, spanning SMEs to large UK and multinational corporates. 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. Work on formaldehyde capture is being progressed to the formation of a spinout company and negotiations are currently on-going. This work won first prize in the RSC Emerging Technologies competition. 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 are being evaluated with a commercial partner. The new computational approaches developed in the project are being ported to the Hartree Centre supercomputers for industrial use in collaboration with the Centre. These approaches are now used in a Faraday Institution project.
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...
 
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 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 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.
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.
Start Year 2018
 
Description Computational Prediction of New Transparent Conducting Materials 
Organisation Science and Technologies Facilities Council (STFC)
Department Hartree Centre
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.
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.
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 Public 
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 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
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 Public 
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 Public 
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 Structure 
Description A perovskite structure comprises a first element X, strontium, iron, cobalt, oxygen and tungsten; where 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. The structure may be included in an electrode for a solid oxide fuel cell (SOFC). A method of forming a perovskite structure comprises mixing a first element X, strontium, iron, cobalt, oxygen and tungsten; 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; where the first element X is barium and/or a lanthanide. Preferably, the first temperature is in the range 650ºC to 750ºC, and the second temperature is in the range 850ºC to 1000ºC. The molar percentage of tungsten may be in the range of 5-10%. Preferably, the structure has the formula (Ba1-xSrx)(Co1-yFey)WbOc, where both x and y are independently in the range 0.1 to 0.9; a+b is equal to 1; and c is in the range 2 to 3. 
IP Reference US2016329570 
Protection Patent application published
Year Protection Granted 2016
Licensed No
Impact -
 
Title Structure 
Description A perovskite structure comprises a first element X, strontium, iron, cobalt, oxygen and tungsten; where 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. The structure may be included in an electrode for a solid oxide fuel cell (SOFC). A method of forming a perovskite structure comprises mixing a first element X, strontium, iron, cobalt, oxygen and tungsten; 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; where the first element X is barium and/or a lanthanide. Preferably, the first temperature is in the range 650ºC to 750ºC, and the second temperature is in the range 850ºC to 1000ºC. The molar percentage of tungsten may be in the range of 5-10%. Preferably, the structure has the formula (Ba1-xSrx)(Co1-yFey)WbOc, where both x and y are independently in the range 0.1 to 0.9; a+b is equal to 1; and c is in the range 2 to 3. 
IP Reference WO2016083780 
Protection Patent granted
Year Protection Granted 2015
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 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 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 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 Electroquímica, 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 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 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 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 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 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 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 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 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 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. 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 Qunatum 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 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 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 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 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