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Andrew J. Logsdail
Andrew J. Logsdail
Cardiff University
Bestätigte E-Mail-Adresse bei cardiff.ac.uk - Startseite
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Zitiert von
Zitiert von
Jahr
Band alignment of rutile and anatase TiO2
DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ...
Nature materials 12 (9), 798-801, 2013
25462013
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
6542020
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
3992020
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
3232014
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
1462015
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
1362018
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
1282012
Heterogeneous trimetallic nanoparticles as catalysts
JWM Crawley, IE Gow, N Lawes, I Kowalec, L Kabalan, CRA Catlow, ...
Chemical Reviews 122 (6), 6795-6849, 2022
1032022
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
902018
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
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
652014
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
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
462022
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
452020
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
432014
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
432014
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
412015
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
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