دنبال کردن
Andrew J. Logsdail
Andrew J. Logsdail
Cardiff University
ایمیل تأیید شده در cardiff.ac.uk - صفحهٔ اصلی
عنوان
نقل شده توسط
نقل شده توسط
سال
Band alignment of rutile and anatase TiO2‏
DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ...‏
Nature materials 12 (9), 798-801, 2013‏
25002013
NWChem: Past, present, and future‏
E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ...‏
The Journal of chemical physics 152 (18), 184102, 2020‏
6252020
Role of the support in gold-containing nanoparticles as heterogeneous catalysts‏
M Sankar, Q He, RV Engel, MA Sainna, AJ Logsdail, A Roldan, DJ Willock, ...‏
Chemical reviews 120 (8), 3890-3938, 2020‏
3722020
Designer titania-supported Au–Pd nanoparticles for efficient photocatalytic hydrogen production‏
R Su, R Tiruvalam, AJ Logsdail, Q He, CA Downing, MT Jensen, ...‏
ACS nano 8 (4), 3490-3497, 2014‏
3202014
NWChem‏
E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ...‏
American Institute of Physics, 2020‏
2162020
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
1432015
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
1332018
Dopant-induced 2D–3D transition in small Au-containing clusters: DFT-global optimisation of 8-atom Au–Ag nanoalloys‏
S Heiles, AJ Logsdail, R Schäfer, RL Johnston‏
Nanoscale 4 (4), 1109-1115, 2012‏
1272012
Heterogeneous trimetallic nanoparticles as catalysts‏
JWM Crawley, IE Gow, N Lawes, I Kowalec, L Kabalan, CRA Catlow, ...‏
Chemical Reviews 122 (6), 6795-6849, 2022‏
942022
A selective blocking method to control the overgrowth of Pt on Au nanorods‏
J Fennell, D He, AM Tanyi, AJ Logsdail, RL Johnston, ZY Li, SL Horswell‏
Journal of the American Chemical Society 135 (17), 6554-6561, 2013‏
872013
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
842018
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
632014
Tailoring gold nanoparticle characteristics and the impact on aqueous-phase oxidation of glycerol‏
SM Rogers, CRA Catlow, CE Chan-Thaw, D Gianolio, EK Gibson, ...‏
Acs Catalysis 5 (7), 4377-4384, 2015‏
582015
Structures and Stabilities of PlatinumGold Nanoclusters‏
A Logsdail, LO Paz-Borbon, RL Johnston‏
Journal of Computational and Theoretical Nanoscience 6 (4), 857-866, 2009‏
482009
Mechanistic insight into the framework methylation of H-ZSM-5 for varying methanol loadings and Si/Al ratios using first-principles molecular dynamics simulations‏
SAF Nastase, P Cnudde, L Vanduyfhuys, K De Wispelaere, ...‏
ACS catalysis 10 (15), 8904-8915, 2020‏
422020
Bulk ionization potentials and band alignments from three-dimensional periodic calculations as demonstrated on rocksalt oxides‏
AJ Logsdail, DO Scanlon, CRA Catlow, AA Sokol‏
Physical Review B 90 (15), 155106, 2014‏
422014
Segregation effects on the properties of (AuAg) 147‏
AL Gould, CJ Heard, AJ Logsdail, CRA Catlow‏
Physical Chemistry Chemical Physics 16 (39), 21049-21061, 2014‏
422014
Influence of composition and chemical arrangement on the kinetic stability of 147-atom Au–Ag bimetallic nanoclusters‏
AL Gould, AJ Logsdail, CRA Catlow‏
The Journal of Physical Chemistry C 119 (41), 23685-23697, 2015‏
402015
Morphological features and band bending at nonpolar surfaces of ZnO‏
D Mora-Fonz, J Buckeridge, AJ Logsdail, DO Scanlon, AA Sokol, ...‏
The Journal of Physical Chemistry C 119 (21), 11598-11611, 2015‏
402015
The critical role of βPdZn alloy in Pd/ZnO catalysts for the hydrogenation of carbon dioxide to methanol‏
M Bowker, N Lawes, I Gow, J Hayward, JR Esquius, N Richards, LR Smith, ...‏
ACS catalysis 12 (9), 5371-5379, 2022‏
392022
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مقاله‌ها 1–20