Articles with public access mandates - Scott M WoodleyLearn more
Not available anywhere: 4
Introduction to modeling nanoclusters and nanoparticles
SM Woodley, ST Bromley
Frontiers of nanoscience 12, 1-54, 2018
Mandates: UK Engineering and Physical Sciences Research Council, Government of Spain
Nanoclusters and nanoparticles
SM Woodley
Computational Modeling of Inorganic Nanomaterials, ed. ST Bromley and MA …, 2016
Mandates: UK Engineering and Physical Sciences Research Council
Towards web-assisted modelling at the nanoscale
SM Woodley
Frontiers of Nanoscience 21, 247-277, 2022
Mandates: UK Engineering and Physical Sciences Research Council, UK Research & Innovation
Comment on" Determination of the Nitrogen Vacancy as a Shallow Compensating Center in GaN Doped with Divalent Metals" Reply
CR Catlow, J Buckeridge, DO Scanlon, TW Keal, P Sherwood, ...
Physical Review Letters 115 (2), 2015
Mandates: UK Engineering and Physical Sciences Research Council
Available somewhere: 48
Band alignment of rutile and anatase TiO2
DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ...
Nature materials 12 (9), 798-801, 2013
Mandates: Science Foundation Ireland, UK Engineering and Physical Sciences Research …
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
Mandates: UK Engineering and Physical Sciences Research Council
Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination
J Buckeridge, KT Butler, CRA Catlow, AJ Logsdail, DO Scanlon, ...
Chemistry of Materials 27 (11), 3844-3851, 2015
Mandates: UK Engineering and Physical Sciences Research Council
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
Mandates: UK Engineering and Physical Sciences Research Council
Determination of the nitrogen vacancy as a shallow compensating center in GaN doped with divalent metals
J Buckeridge, CRA Catlow, DO Scanlon, TW Keal, P Sherwood, ...
Physical Review Letters 114 (1), 016405, 2015
Mandates: UK Engineering and Physical Sciences Research Council
Modeling excited states in TiO2 nanoparticles: on the accuracy of a TD-DFT based description
E Berardo, HS Hu, SA Shevlin, SM Woodley, K Kowalski, MA Zwijnenburg
Journal of chemical theory and computation 10 (3), 1189-1199, 2014
Mandates: UK Engineering and Physical Sciences Research Council
Limits to Doping of Wide Band Gap Semiconductors
A Walsh, J Buckeridge, CRA Catlow, AJ Jackson, TW Keal, M Miskufova, ...
Chemistry of Materials 25 (15), 2924-2926, 2013
Mandates: UK Engineering and Physical Sciences Research Council
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
Mandates: UK Engineering and Physical Sciences Research Council
Lithium and oxygen adsorption at the β-MnO 2 (110) surface
TA Mellan, KP Maenetja, PE Ngoepe, SM Woodley, CRA Catlow, ...
Journal of Materials Chemistry A 1 (47), 14879-14887, 2013
Mandates: UK Engineering and Physical Sciences Research Council
Antiferromagnetism at in the layered hexagonal ruthenate
CI Hiley, DO Scanlon, AA Sokol, SM Woodley, AM Ganose, S Sangiao, ...
Physical Review B 92 (10), 104413, 2015
Mandates: UK Engineering and Physical Sciences Research Council
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
Mandates: UK Engineering and Physical Sciences Research Council
An efficient genetic algorithm for structure prediction at the nanoscale
T Lazauskas, AA Sokol, SM Woodley
Nanoscale 9 (11), 3850-3864, 2017
Mandates: UK Engineering and Physical Sciences Research Council
Defect formation in In 2 O 3 and SnO 2: A new atomistic approach based on accurate lattice energies
Q Hou, J Buckeridge, T Lazauskas, D Mora-Fonz, AA Sokol, SM Woodley, ...
Journal of Materials Chemistry C 6 (45), 12386-12395, 2018
Mandates: UK Engineering and Physical Sciences Research Council
Interlayer Cation Exchange Stabilizes Polar Perovskite Surfaces
DEE Deacon‐Smith, DO Scanlon, CRA Catlow, AA Sokol, SM Woodley
Advanced Materials 26 (42), 7252-7256, 2014
Mandates: UK Engineering and Physical Sciences Research Council
Knowledge Led Master Code Search for Atomic and Electronic Structures of LaF3 Nanoclusters on Hybrid Rigid Ion–Shell Model–DFT Landscapes
SM Woodley
The Journal of Physical Chemistry C 117 (45), 24003-24014, 2013
Mandates: UK Engineering and Physical Sciences Research Council
Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT
E Berardo, HS Hu, HJJ van Dam, SA Shevlin, SM Woodley, K Kowalski, ...
Journal of Chemical Theory and Computation 10 (12), 5538-5548, 2014
Mandates: US Department of Energy, UK Engineering and Physical Sciences Research Council
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