Towards an Atomic-scale Understanding of the 3D Structures of Size-selected Clusters on Surfaces
Lead Research Organisation:
University of York
Department Name: Physics
Abstract
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People |
ORCID iD |
| Jun Yuan (Principal Investigator) |
Publications
Aveyard R
(2014)
Modeling nanoscale inhomogeneities for quantitative HAADF STEM imaging.
in Physical review letters
Aveyard R
(2017)
Molecular Dynamics Simulations of Nanoclusters for Improved STEM Image Simulations
in Microscopy and Microanalysis
Aveyard R
(2012)
Molecular dynamics simulations of nanoclusters for improved STEM image simulations
in Microscopy and Microanalysis
Cano I
(2021)
Blurring the boundary between homogenous and heterogeneous catalysis using palladium nanoclusters with dynamic surfaces.
in Nature communications
Demiroglu I
(2018)
Modelling free and oxide-supported nanoalloy catalysts: comparison of bulk-immiscible Pd-Ir and Au-Rh systems and influence of a TiO2 support.
in Faraday discussions
Duchesne PN
(2018)
Golden single-atomic-site platinum electrocatalysts.
in Nature materials
Fei Z
(2017)
Direct identification of monolayer rhenium diselenide by an individual diffraction pattern
in Nano Research
Fu X
(2014)
Three-dimensional electron diffraction mapping for cyclic twinned nanostructures
in Journal of Physics: Conference Series
| Description | Developed a quantitative model to describe the imaging of nano particle, which includes atomic vibration of individual atoms depending on its positions within the nano particles. This makes the structural study of nano particles more accurate, and opens the possibility of studying atomic melting at the surface of nano particles. The result have implication for catalytic properties of the nano particles. |
| Exploitation Route | It can be used to study the dynamic of the nano particles using atomic resolution electron microscopy. The quantitative approach to nanoparticle 3D structure determination is general and can be applied to all imaging modes using in high resolution electron microscopy. |
| Sectors | Energy,Manufacturing, including Industrial Biotechology |
| URL | http://www.sciencedaily.com/releases/2014/08/140819083247.htm |
| Description | Our research grant has allowed the training of research student to the benefit of increasing the pool of skilled workforce for U.K. The student supported by the grant has now obtained his PhD degree and went on to carry out research as a post-doctoral work. |
| First Year Of Impact | 2013 |
| Sector | Education,Other |
| Impact Types | Societal,Economic |
| Description | Anglo-french collaboration |
| Amount | £6,000 (GBP) |
| Organisation | The Royal Society |
| Sector | Charity/Non Profit |
| Country | United Kingdom |
| Start | 09/2014 |
| End | 09/2016 |
| Description | nanocluster collaboration |
| Organisation | University of Birmingham |
| Department | Cardiology |
| Country | United Kingdom |
| Sector | Academic/University |
| PI Contribution | We provide the support for the modelling of scanning transmission electron microscopy of nanoclusters to the Birmingham University team. |
| Collaborator Contribution | Our partners provided experimental results that will benefit from image modelling to extract three dimensional structural information. |
| Impact | This collaboration is multi-deciplinary, involving deparmtne of physics ans department of chemistry. Several joint publications have resulted. |
| Start Year | 2009 |
| Description | nanocluster collaboration |
| Organisation | University of Genoa |
| Country | Italy |
| Sector | Academic/University |
| PI Contribution | We provide the support for the modelling of scanning transmission electron microscopy of nanoclusters to the Birmingham University team. |
| Collaborator Contribution | Our partners provided experimental results that will benefit from image modelling to extract three dimensional structural information. |
| Impact | This collaboration is multi-deciplinary, involving deparmtne of physics ans department of chemistry. Several joint publications have resulted. |
| Start Year | 2009 |
| Title | York HAADF-STEM simulation package |
| Description | This program combines the molecular dynamics and multi slicing simulation to simulate multiple scattering of high energy electron beam by nano particles. The different atomic motion of atoms at different part of the nano particles are automatically captured, together with the static structural relaxation. |
| Type Of Technology | Software |
| Year Produced | 2013 |
| Impact | We used this to provide a first realistic description of HAADF-STEM imaging of nano particles |
| URL | http://www.sciencedaily.com/releases/2014/08/140819083247.htm |
| Title | kinematic HAADF-STEM simulation |
| Description | tThe high-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM) has beenwidely used in nanoparticle characterization due to its relatively straightforward interpretability,although multislice simulation is often required in order to take into account the strong dynamicalscreening effect if quantitative structure information is needed. The multislice simulation is very time-consuming, which can be a hurdle in cases when one has to deal with a large set of images. In this paper,we introduce a simple computer program, based on kinematic-scattering method, which allows users tosimulate HAADF-STEM images of small nanoparticles, in 'real time' on a standard desktop computer. Bycomparing with the sophisticated multislice simulation, we demonstrate that such an approach is ade-quate for nanoparticles of ~3 nm in diameter (assuming an approximately spherical shape), particularlyaway from strict zone axis conditions. As an application, we show that the efficient kinematic simulationallows quick identification of orientation of nanoparticles. |
| Type Of Technology | Software |
| Year Produced | 2014 |
| Impact | The software are available to the public upon request and several requests from american and india have been received and software dispatched. |
| Description | A dedicated website has been created to introduce general public to the nano alloy research work carried out in the group, to educate general public and form colleagues for potential collaboration |
| Form Of Engagement Activity | Engagement focused website, blog or social media channel |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Public/other audiences |
| Results and Impact | A website for vortex beam physics has been created, detailing the research highlight in these areas. |
| Year(s) Of Engagement Activity | 2016,2017 |
| URL | http://www-users.york.ac.uk/%7Ejy518/pages/Research_nanoalloy.html |
| Description | A website for nano alloy research http://www-users.york.ac.uk/%7Ejy518/pages/Research_nanoalloy.html |
| Form Of Engagement Activity | Engagement focused website, blog or social media channel |
| Part Of Official Scheme? | No |
| Geographic Reach | International |
| Primary Audience | Public/other audiences |
| Results and Impact | A website introducing nano ally research and highlight of scientific output. |
| Year(s) Of Engagement Activity | 2015,2016,2017 |
| URL | http://www-users.york.ac.uk/%7Ejy518/pages/Research_nanoalloy.html |
| Description | An international workshop on nano alloy |
| 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 | International Workshop on "Nanoalloys on Atomic Scale: Theoretical and Experimental Studies of Structures and Reactions" This one-day international workshop on "Nanoalloys on Atomic Scale" was held on 5th December 2016 in the University of Birmingham. It was part of the funded Royal Society International Exchanges Scheme between University of Birmingham, U.K. and University Paris Diderot, France. The workshop took place in the Nicolson Building, on the grounds of the Grade II listed building of Winterbourne House and Garden. The aim of the workshop was to address some critical issues in bimetallic nanoalloys through direct imaging and modeling at atomic scale, which was successfully achieved. 12 invited talks, from experts in the field focused on both theoretical and experimental studies on structures and reactions, were well received by participants of the workshop and they prompted many lively scientific discussions both during and after the talks. A poster session was held over the lunch break, which allowed the discussion to continue. Overall, one-third of the attendees were from overseas ranging from France, Italy and as far as Canada, one third from Birmingham and the rest from elsewhere in the UK such as Manchester, York, London, Southampton and Cardiff. We also had attendees from companies and organisations. As the number of attendees at the workshop was intentionally capped at 50 to allow discussions and interactions, people who requested later had to be turned away unfortunately. The workshop has provided a unique forum to bring together distinct communities under one roof to discuss the challenges and the advantages of various experimental and theoretical methods. The outputs of the workshop were continued in the following day, during the brainstorming discussion on the status and future opportunities of nanoalloys field. The organisers of the workshop are grateful for the sponsorships by the British Vacuum Council (BVC) and Institute of Physics Electron Microscopy and Analysis Group (EMAG), which allowed the workshop to be open to PhD students and post-doctoral research fellows who are interested in the field yet outside of this particular exchange scheme. EPSRC and RS supported research reported in this area by the organisers. Ziyou Li, Christian Ricolleau, Roy Johnston and Jun Yuan The organisers of the workshop at University of Birmingham, Dec 2016 |
| Year(s) Of Engagement Activity | 2016 |