مقاله‌های دارای تعهدات انتشار عمومی - Scott M Woodleyبیشتر بدانید
جای دیگری دردسترس نیست: ۳
مرور
Introduction to modeling nanoclusters and nanoparticles‏
SM Woodley, ST Bromley‏
Frontiers of nanoscience 12, 1-54, 2018‏
تعهدات: UK Engineering and Physical Sciences Research Council, Government of Spain‏
مرور
Nanoclusters and nanoparticles‏
SM Woodley‏
Computational Modeling of Inorganic Nanomaterials, ed. ST Bromley and MA …, 2016‏
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
Towards web-assisted modelling at the nanoscale‏
SM Woodley‏
Frontiers of Nanoscience 21, 247-277, 2022‏
تعهدات: UK Engineering and Physical Sciences Research Council, UK Research & Innovation‏
جای دیگری دردسترس است: ۴۹
مرور
Band alignment of rutile and anatase TiO2‏
DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ...‏
Nature materials 12 (9), 798-801, 2013‏
تعهدات: Science Foundation Ireland, UK Engineering and Physical Sciences Research …‏
مرور
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
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
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
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
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
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
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
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
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
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
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
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
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
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
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
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
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
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
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
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
An efficient genetic algorithm for structure prediction at the nanoscale‏
T Lazauskas, AA Sokol, SM Woodley‏
Nanoscale 9 (11), 3850-3864, 2017‏
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
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
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
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
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
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
تعهدات: UK Engineering and Physical Sciences Research Council‏
مرور
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
تعهدات: US Department of Energy, UK Engineering and Physical Sciences Research Council‏
مرور
Structural and Optical Properties of Mg and Cd Doped ZnO Nanoclusters‏
SB Woodley, AA Sokol, CRA Catlow, AA Al-Sunaidi, SM Woodley‏
The Journal of Physical Chemistry C 117 (51), 27127-27145, 2013‏
تعهدات: UK Engineering and Physical Sciences Research Council‏
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