| Why are polar surfaces of ZnO stable? D Mora-Fonz, T Lazauskas, MR Farrow, CRA Catlow, SM Woodley, ... Chemistry of Materials 29 (12), 5306-5320, 2017 | 163 | 2017 |
| Deep vs shallow nature of oxygen vacancies and consequent -type carrier concentrations in transparent conducting oxides J Buckeridge, CRA Catlow, MR Farrow, AJ Logsdail, DO Scanlon, ... Physical Review Materials 2 (5), 054604, 2018 | 133 | 2018 |
| Open-source, python-based redevelopment of the ChemShell multiscale QM/MM environment Y Lu, MR Farrow, P Fayon, AJ Logsdail, AA Sokol, CRA Catlow, ... Journal of chemical theory and computation 15 (2), 1317-1328, 2018 | 84 | 2018 |
| Room temperature methoxylation in zeolites: insight into a key step of the methanol-to-hydrocarbons process AJ O'malley, SF Parker, A Chutia, MR Farrow, IP Silverwood, ... Chemical Communications 52 (14), 2897-2900, 2016 | 71 | 2016 |
| Donor and acceptor characteristics of native point defects in GaN Z Xie, Y Sui, J Buckeridge, CRA Catlow, TW Keal, P Sherwood, A Walsh, ... Journal of Physics D: Applied Physics 52 (33), 335104, 2019 | 70 | 2019 |
| Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework D Berger, AJ Logsdail, H Oberhofer, MR Farrow, CRA Catlow, ... The Journal of chemical physics 141 (2), 2014 | 63 | 2014 |
| Structure prediction of nanoclusters; a direct or a pre-screened search on the DFT energy landscape? MR Farrow, Y Chow, SM Woodley Physical Chemistry Chemical Physics 16 (39), 21119-21134, 2014 | 54 | 2014 |
| Adsorption of formate species on Cu (h, k, l) low index surfaces A Chutia, IP Silverwood, MR Farrow, DO Scanlon, PP Wells, M Bowker, ... Surface Science 653, 45-54, 2016 | 35 | 2016 |
| Combined experimental and computational hydrostatic compression study of crystalline ammonium perchlorate S Hunter, AJ Davidson, CA Morrison, CR Pulham, P Richardson, ... The Journal of Physical Chemistry C 115 (38), 18782-18788, 2011 | 33 | 2011 |
| Thermodynamically accessible titanium clusters Ti N, N= 2–32 T Lazauskas, AA Sokol, J Buckeridge, CRA Catlow, SGET Escher, ... Physical Chemistry Chemical Physics 20 (20), 13962-13973, 2018 | 27 | 2018 |
| Molecular simulations of kinetic-friction modification in nanoscale fluid layers MR Farrow, A Chremos, PJ Camp, SG Harris, RF Watts Tribology Letters 42, 325-337, 2011 | 27 | 2011 |
| The effects of surface curvature on the adsorption of surfactants at the solid–liquid interface MR Farrow, PJ Camp, PJ Dowding, K Lewtas Physical Chemistry Chemical Physics 15 (28), 11653-11660, 2013 | 24 | 2013 |
| The adsorption of Cu on the CeO 2 (110) surface A Chutia, EK Gibson, MR Farrow, PP Wells, DO Scanlon, N Dimitratos, ... Physical Chemistry Chemical Physics 19 (40), 27191-27203, 2017 | 19 | 2017 |
| Double bubbles: a new structural motif for enhanced electron–hole separation in solids AA Sokol, MR Farrow, J Buckeridge, AJ Logsdail, CRA Catlow, ... Physical Chemistry Chemical Physics 16 (39), 21098-21105, 2014 | 16 | 2014 |
| Atomistic molecular dynamics simulations of shock compressed quartz MR Farrow, MIJ Probert The Journal of chemical physics 135 (4), 2011 | 15 | 2011 |
| From stable ZnO and GaN clusters to novel double bubbles and frameworks MR Farrow, J Buckeridge, CRA Catlow, AJ Logsdail, DO Scanlon, ... Inorganics 2 (2), 248-263, 2014 | 12 | 2014 |
| Quantum Mechanical/Molecular Mechanical (QM/MM) Approaches CRA Catlow, J Buckeridge, MR Farrow, AJ Logsdail, AA Sokol Wiley, 2017 | 11 | 2017 |
| Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors MR Farrow, J Buckeridge, T Lazauskas, D Mora‐Fonz, DO Scanlon, ... physica status solidi (a) 214 (4), 1600440, 2017 | 8 | 2017 |
| Double bubble secondary building units used as a structural motif for enhanced electron–hole separation in solids MR Farrow, CRA Catlow, AA Sokol, SM Woodley Materials Science in Semiconductor Processing 42, 147-149, 2016 | 5 | 2016 |
| Computer simulation of shock waves in condensed matter MR Farrow Ph. D. dissertation (The University of York, 2009), 2009 | 4 | 2009 |
C. Richard A. Catlowprofessor of ChemistryVerified email at ucl.ac.uk
