List of works - Andrew J Logsdail

Band alignment of rutile and anatase TiO2 ⬇️

scientific article published on July 7, 2013

Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5

scientific article published on 01 January 2019

Controlling Structural Transitions in AuAg Nanoparticles through Precise Compositional Design.

scientific article published on 26 October 2016

Designer Titania-Supported Au–Pd Nanoparticles for Efficient Photocatalytic Hydrogen Production

scientific article published on 18 March 2014

Development and optimization of a novel genetic algorithm for identifying nanoclusters from scanning transmission electron microscopy images.

scientific article published on 25 November 2011

Dopant-induced 2D–3D transition in small Au-containing clusters: DFT-global optimisation of 8-atom Au–Ag nanoalloys ⬇️

scientific article published on October 19, 2011

Double bubbles: a new structural motif for enhanced electron–hole separation in solids

scientific article published on 27 June 2014

Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework ⬇️

scientific article published in July 2014

Faceting preferences for Au(N) and Pd(N) nanoclusters with high-symmetry motifs.

scientific article published on 29 April 2013

Highlights from Faraday Discussion on Designing Nanoparticle Systems for Catalysis, London, UK, May 2018

scientific article published on 01 August 2018

Materials and Molecular Modeling at the Exascale

scientific article published on 07 January 2022

Methanol loading dependent methoxylation in zeolite H-ZSM-5

scientific article published on 17 June 2020

Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts.

scientific article published on 3 May 2016

Modelling the chemistry of Mn-doped MgO for bulk and (100) surfaces.

scientific article published in October 2016

Morphological Features and Band Bending at Nonpolar Surfaces of ZnO

NWChem: Past, present, and future

scientific article published on 01 May 2020

Open-Source, Python-Based Redevelopment of the ChemShell Multiscale QM/MM Environment

scientific article published on 02 January 2019

Overgrowth of Rhodium on Gold Nanorods.

scientific article published on 16 April 2012

Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination

Role of the Support in Gold-Containing Nanoparticles as Heterogeneous Catalysts

scientific article published on 30 March 2020

Segregation effects on the properties of (AuAg)₁₄₇

scientific article published on 23 April 2014

Tuning the transition barrier of H2 dissociation in the hydrogenation of CO2 to formic acid on Ti-doped Sn2O4 clusters

scientific article published on 15 December 2020

List of works by Andrew J Logsdail