Get started
Author

Andrew James Logsdail

Observed names: A. J. Logsdail, A. Logsdail, Andrew J Logsdail, Andrew J. Logsdail, Andrew Logsdail, Logsdail, Andrew, Logsdail, Andrew J, Logsdail, Andrew J.
ORCID: 0000-0002-2277-415X
Observed ORCID: 0000-0002-2277-415X
OpenAlex ID: A5064011663
Band alignment of rutile and anatase TiO2
2013 · David O. Scanlon, Charles W. Dunnill, et al. · Nature Materials · 2,319
Role of the Support in Gold-Containing Nanoparticles as Heterogeneous Catalysts
2020 · Meenakshisundaram Sankar, Qian He, et al. · Chemical Reviews · 486
PDF
Designer Titania-Supported Au–Pd Nanoparticles for Efficient Photocatalytic Hydrogen Production
2014 · Ren Su, Ramchandra Tiruvalam, et al. · ACS Nano · 306
Heterogeneous Trimetallic Nanoparticles as Catalysts
2022 · James W. M. Crawley, Isla E. Gow, et al. · Chemical Reviews · 195
Deep vs shallow nature of oxygen vacancies and consequent n -type carrier concentrations in transparent conducting oxides
2018 · J. Buckeridge, C. R. A. Catlow, et al. · Physical Review Materials · 155
PDF
Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination
2015 · John Buckeridge, Keith T. Butler, et al. · Chemistry of Materials · 130
Open-Source, Python-Based Redevelopment of the ChemShell Multiscale QM/MM Environment
2018 · You Lu, Matthew R. Farrow, et al. · Journal of Chemical Theory and Computation · 104
PDF
Dopant-induced 2D–3D transition in small Au-containing clusters: DFT-global optimisation of 8-atom Au–Ag nanoalloys
2011 · Sven Heiles, Andrew J. Logsdail, et al. · Nanoscale · 102
PDF
A Selective Blocking Method To Control the Overgrowth of Pt on Au Nanorods
2013 · John Fennell, Dongsheng He, et al. · Journal of the American Chemical Society · 82
PDF
The Critical Role of βPdZn Alloy in Pd/ZnO Catalysts for the Hydrogenation of Carbon Dioxide to Methanol
2022 · Michael Bowker, Naomi Lawes, et al. · ACS Catalysis · 73
Multiscale QM/MM modelling of catalytic systems with ChemShell
2023 · You Lu, Kakali Sen, et al. · Physical Chemistry Chemical Physics · 61
PDF
Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations
2020 · Stefan A. F. Nastase, Pieter Cnudde, et al. · ACS Catalysis · 56
PDF
Tailoring Gold Nanoparticle Characteristics and the Impact on Aqueous-Phase Oxidation of Glycerol
2015 · Scott M. Rogers, C. Richard A. Catlow, et al. · ACS Catalysis · 54
PDF
Exfoliated Polymeric Carbon Nitride Nanosheets for Photocatalytic Applications
2024 · Junhao Huang, Marcus Klahn, et al. · ACS Applied Nano Materials · 50
Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework
2014 · Daniel Berger, Andrew J. Logsdail, et al. · The Journal of Chemical Physics · 48
PDF
Morphological Features and Band Bending at Nonpolar Surfaces of ZnO
2015 · David Mora-Fonz, John Buckeridge, et al. · The Journal of Physical Chemistry C · 46
PDF
A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph of l -tyrosine
2022 · Christopher J. H. Smalley, Harriet E. Hoskyns, et al. · Chemical Science · 45
PDF
Structures and Stabilities of Platinum–Gold Nanoclusters
2009 · Andrew Logsdail, Lauro Oliver Paz-Borbón, et al. · Journal of Computational and Theoretical Nanoscience · 45
The application of QM/MM simulations in heterogeneous catalysis
2023 · Gabriel Adrian Bramley, Owain Tomos Beynon, et al. · Physical Chemistry Chemical Physics · 44
PDF
Segregation effects on the properties of (AuAg) 147
2014 · A. L. Gould, C. J. Heard, et al. · Physical Chemistry Chemical Physics · 41
PDF
Bulk ionization potentials and band alignments from three-dimensional periodic calculations as demonstrated on rocksalt oxides
2014 · Andrew J. Logsdail, David O. Scanlon, et al. · Physical Review B · 40
Methanol loading dependent methoxylation in zeolite H-ZSM-5
2020 · Santhosh K. Matam, Stefan A. F. Nastase, et al. · Chemical Science · 39
PDF
A computational study of the properties of low- and high-index Pd, Cu and Zn surfaces
2021 · Lara Kabalan, Igor Kowalec, et al. · Physical Chemistry Chemical Physics · 38
PDF
Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts
2016 · Alexander J. O'Malley, A. J. Logsdail, et al. · Faraday Discussions · 37
PDF
Predicting the Optical Properties of Core–Shell and Janus Segregated Au–M Nanoparticles (M = Ag, Pd)
2012 · Andrew J. Logsdail, Roy L. Johnston · The Journal of Physical Chemistry C · 36
Works count: 147
Citation count: 5,496
H-index: 30
I10-index: 63
Year
Topic
Type