M R Farrow
M R Farrow
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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
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
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
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), 024105, 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
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
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
Molecular simulations of kinetic-friction modification in nanoscale fluid layers
MR Farrow, A Chremos, PJ Camp, SG Harris, RF Watts
Tribology Letters 42 (3), 325-337, 2011
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
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
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
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
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
Atomistic molecular dynamics simulations of shock compressed quartz
MR Farrow, MIJ Probert
The Journal of chemical physics 135 (4), 044508, 2011
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
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
Handbook of Solid State Chemistry
CRA Catlow, J Buckeridge, MR Farrow, AJ Logsdail, AA Sokol
Wiley-VCH Verlag, Weinheim, Germany, 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
Quantum Mechanical/Molecular Mechanical (QM/MM) Approaches
CRA Catlow, J Buckeridge, MR Farrow, AJ Logsdail, AA Sokol
Wiley-VCH, 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
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