Misbah Sarwar
Misbah Sarwar
Johnson Matthey Technology Centre
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Johnson Matthey Technol
M Sarwar, C Cooper, L Briquet, A Ukpong, C Perry, G Jones
Rev 59, 257-283, 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
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
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
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