Andrew J. Logsdail

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Coautors

C. Richard A. Catlowprofessor of ChemistryCorreu electrònic verificat a ucl.ac.uk
Alexey A. SokolUniversity College LondonCorreu electrònic verificat a ucl.ac.uk
Scott M WoodleyProfessor of Computational Chemistry and Physics, University College LondonCorreu electrònic verificat a ucl.ac.uk
Thomas KealPrincipal Scientist, STFC Daresbury LaboratoryCorreu electrònic verificat a stfc.ac.uk
David ScanlonChair in Computational Chemistry at University of BirminghamCorreu electrònic verificat a bham.ac.uk
Paul SherwoodUniversity of LancasterCorreu electrònic verificat a stfc.ac.uk
John BuckeridgeSenior Lecturer, London South Bank UniversityCorreu electrònic verificat a lsbu.ac.uk
Graham J. HutchingsCardiff UniversityCorreu electrònic verificat a cardiff.ac.uk
Roy JohnstonProfessor of Computational Chemistry, University of Birmingham, UKCorreu electrònic verificat a bham.ac.uk
Stephen ShevlinEditor, formerly Research Associate at University College LondonCorreu electrònic verificat a ucl.ac.uk
Michael PowellAtomic Layer Deposition Applications Engineer, Oxford InstrumentsCorreu electrònic verificat a ucl.ac.uk
lara kabalancardiff universityCorreu electrònic verificat a cardiff.ac.uk
Alberto RoldanSenior Lecturer at Cardiff UniveristyCorreu electrònic verificat a cardiff.ac.uk
Christopher J KielyProfessor Of Materials Science and Chemical Engineering, Lehigh UniversityCorreu electrònic verificat a lehigh.edu
David J WillockCardiff UniversityCorreu electrònic verificat a cardiff.ac.uk
Graeme WatsonProfessor of Theoretical Chemistry, Trinity College DublinCorreu electrònic verificat a tcd.ie
Parkin IUCLCorreu electrònic verificat a ucl.ac.uk
Robert PalgraveProfessor of Inorganic and Materials Chemistry, University College LondonCorreu electrònic verificat a ucl.ac.uk
Stefan Adrian NastasePostdoctoral Research Fellow - KAUST University, Saudi ArabiaCorreu electrònic verificat a kaust.edu.sa
Igor KowalecCardiff Catalysis Institute, Cardiff UniversityCorreu electrònic verificat a cardiff.ac.uk

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Andrew J. Logsdail

Cardiff University

Correu electrònic verificat a cardiff.ac.uk - Pàgina d'inici

Materials Catalysis Computational chemistry


Títol Ordena per cites Ordena per any Ordena per títol	Citada per Citada per	Any
Band alignment of rutile and anatase TiO₂ DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ... Nature materials 12 (9), 798-801, 2013	2544	2013
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	670	2020
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	406	2020
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	325	2014
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	147	2015
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	135	2018
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	126	2012
Heterogeneous trimetallic nanoparticles as catalysts JWM Crawley, IE Gow, N Lawes, I Kowalec, L Kabalan, CRA Catlow, ... Chemical Reviews 122 (6), 6795-6849, 2022	104	2022
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	91	2018
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	86	2013
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	63	2014
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	59	2015
Structures and Stabilities of PlatinumGold Nanoclusters A Logsdail, LO Paz-Borbon, RL Johnston Journal of Computational and Theoretical Nanoscience 6 (4), 857-866, 2009	50	2009
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	48	2022
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	46	2020
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	43	2014
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	42	2014
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	41	2015
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	39	2015
Predicting the optical properties of core–shell and Janus segregated Au–M nanoparticles (M= Ag, Pd) AJ Logsdail, RL Johnston The Journal of Physical Chemistry C 116 (44), 23616-23628, 2012	38	2012

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