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M R Farrow
M R Farrow
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Year
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
1562017
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
1222018
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
692018
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
672016
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
632019
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
582014
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
532014
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
322011
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
292016
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
282011
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
242018
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
242013
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
162017
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
162014
Atomistic molecular dynamics simulations of shock compressed quartz
MR Farrow, MIJ Probert
The Journal of chemical physics 135 (4), 2011
142011
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
122014
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
92017
Quantum Mechanical/Molecular Mechanical (QM/MM) Approaches
CRA Catlow, J Buckeridge, MR Farrow, AJ Logsdail, AA Sokol
Wiley, 2017
92017
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
52016
Computer simulation of shock waves in condensed matter
MR Farrow
Ph. D. dissertation (The University of York, 2009), 2009
32009
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Articles 1–20