| A new type of scaling relations to assess the accuracy of computational predictions of catalytic activities applied to the oxygen evolution reaction LGV Briquet, M Sarwar, J Mugo, G Jones, F Calle‐Vallejo ChemCatChem 9 (7), 1261-1268, 2017 | 108 | 2017 |
| Perspective: Methods for large-scale density functional calculations on metallic systems J Aarons, M Sarwar, D Thompsett, CK Skylaris The Journal of chemical physics 145 (22), 2016 | 96 | 2016 |
| Can palladium acetate lose its “saltiness”? Catalytic activities of the impurities in palladium acetate WA Carole, J Bradley, M Sarwar, TJ Colacot Organic Letters 17 (21), 5472-5475, 2015 | 78 | 2015 |
| Predicting the oxygen-binding properties of platinum nanoparticle ensembles by combining high-precision electron microscopy and density functional theory J Aarons, L Jones, A Varambhia, KE MacArthur, D Ozkaya, M Sarwar, ... Nano letters 17 (7), 4003-4012, 2017 | 70 | 2017 |
| Effect of graphene support on large Pt nanoparticles LG Verga, J Aarons, M Sarwar, D Thompsett, AE Russell, CK Skylaris Physical Chemistry Chemical Physics 18 (48), 32713-32722, 2016 | 48 | 2016 |
| DFT calculation of oxygen adsorption on platinum nanoparticles: coverage and size effects LG Verga, J Aarons, M Sarwar, D Thompsett, AE Russell, CK Skylaris Faraday Discussions 208, 497-522, 2018 | 38 | 2018 |
| Ammonia mobility in chabazite: insight into the diffusion component of the NH 3-SCR process AJ O'Malley, I Hitchcock, M Sarwar, IP Silverwood, S Hindocha, ... Physical Chemistry Chemical Physics 18 (26), 17159-17168, 2016 | 30 | 2016 |
| Comparing ammonia diffusion in NH 3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study AJ O'Malley, M Sarwar, J Armstrong, CRA Catlow, IP Silverwood, ... Physical Chemistry Chemical Physics 20 (17), 11976-11986, 2018 | 28 | 2018 |
| Exploring fuel cell cathode materials: A high throughput calculation approach J Gavartin, M Sarwar, D Papageorgopoulos, D Gunn, S Garcia, A Perlov, ... ECS Transactions 25 (1), 1335, 2009 | 22 | 2009 |
| Strain effects in core–shell PtCo nanoparticles: a comparison of experimental observations and computational modelling T Ellaby, A Varambhia, X Luo, L Briquet, M Sarwar, D Ozkaya, ... Physical Chemistry Chemical Physics 22 (42), 24784-24795, 2020 | 20 | 2020 |
| Ideal versus real: simulated annealing of experimentally derived and geometric platinum nanoparticles T Ellaby, J Aarons, A Varambhia, L Jones, P Nellist, D Ozkaya, M Sarwar, ... Journal of Physics: Condensed Matter 30 (15), 155301, 2018 | 19 | 2018 |
| Exploring fuel cell cathode materials using ab initio high throughput calculations and validation using carbon supported Pt alloy catalysts M Sarwar, JL Gavartin, AM Bonastre, SG Lopez, D Thompsett, SC Ball, ... Physical Chemistry Chemical Physics 22 (10), 5902-5914, 2020 | 18 | 2020 |
| Modification of O and CO binding on Pt nanoparticles due to electronic and structural effects of titania supports T Ellaby, L Briquet, M Sarwar, D Thompsett, CK Skylaris The Journal of Chemical Physics 151 (11), 2019 | 17 | 2019 |
| Theoretical exploration of novel catalyst support materials for fuel cell applications X Xia, JLR Yates, G Jones, M Sarwar, I Harkness, D Thompsett Journal of Materials Chemistry A 4 (39), 15181-15188, 2016 | 16 | 2016 |
| A DFT study of Pt layer deposition on catalyst supports of titanium oxide, nitride and carbide X Xia, G Jones, M Sarwar, Q Tang, I Harkness, D Thompsett Journal of Materials Chemistry A 3 (48), 24504-24511, 2015 | 16 | 2015 |
| Understanding the dynamics of fluorescence emission during zeolite detemplation using time resolved photoluminescence spectroscopy N Omori, AG Greenaway, M Sarwar, P Collier, G Valentini, AM Beale, ... The Journal of Physical Chemistry C 124 (1), 531-543, 2019 | 10 | 2019 |
| Atomic-scale modelling and its application to catalytic materials science M Sarwar, C Cooper, L Briquet, A Ukpong, C Perry, G Jones Johnson Matthey Technology Review 59 (3), 257-283, 2015 | 10* | 2015 |
| Hydration structures on γ-Alumina surfaces with and without electrolytes probed by atomistic molecular dynamics simulations O Drecun, A Striolo, C Bernardini, M Sarwar The Journal of Physical Chemistry B 126 (44), 9105-9122, 2022 | 8 | 2022 |
| Machine learning accelerated high-throughput screening of zeolites for the selective adsorption of xylene isomers D Hewitt, T Pope, M Sarwar, A Turrina, B Slater Chemical Science 13 (44), 13178-13186, 2022 | 5 | 2022 |
| Interactions between γ-alumina surfaces in water and aqueous salt solutions O Drecun, C Bernardini, M Sarwar, A Striolo Colloids and Surfaces A: Physicochemical and Engineering Aspects 676, 132152, 2023 | 2 | 2023 |
Jolyon AaronsNankaiVerifisert e-postadresse på nankai.edu.cn