Browsing by Author Walsh, A

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Publication DateTitleAuthor(s)
30-Sep-2016A general forcefield for accurate phonon properties of metal-organic frameworksBristow, JK; Skelton, JM; Svane, KL; Walsh, A; Gale, JD
16-Oct-2015A universal chemical potential for sulfur vapoursJackson, AJ; Tiana, D; Walsh, A
16-Oct-2015A universal chemical potential for sulfur vapoursJackson, AJ; Tiana, D; Walsh, A
31-Mar-2014Ab initio thermodynamic model of Cu2ZnSnS4Jackson, AJ; Walsh, A
23-Feb-2015Absorbate-Induced Piezochromism in a Porous Molecular CrystalHendon, CH; Wittering, KE; Chen, T-H; Kaveevivitchai, W; Popov, I, et al
25-Apr-2016Analysis of electrostatic stability and ordering in quaternary perovskite solid solutionsCaetano, C; Butler, KT; Walsh, A
10-Aug-2016Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon InteractionsSkelton, JM; Burton, LA; Parker, SC; Walsh, A; Kim, C-E, et al
1-Dec-2015Assessment of Hybrid Organic-Inorganic Antimony Sulfides for Earth-Abundant Photovoltaic ApplicationsYang, RX; Butler, KT; Walsh, A
22-Oct-2014Assessment of polyanion (BF4− and PF6−) substitutions in hybrid halide perovskitesHendon, CH; Yang, RX; Burton, LA; Walsh, A
28-Oct-2014Band alignment of the hybrid halide perovskites CH3NH3PbCl3, CH3NH3PbBr3 and CH3NH3PbI3Butler, KT; Frost, JM; Walsh, A
14-Jun-2016Band Alignments, Valence Bands, and Core Levels in the Tin Sulfides SnS, SnS2, and Sn2S3: Experiment and TheoryWhittles, TJ; Burton, LA; Skelton, JM; Walsh, A; Veal, TD, et al
14-Jan-2009Band Edge Electronic Structure of BiVO4: Elucidating the Role of the Bi s and V d OrbitalsWalsh, A; Yan, Y; Huda, MN; Al-Jassim, MM; Wei, SH
9-Mar-2016Bismuth oxyhalides: synthesis, structure and photoelectrochemical activityBhachu, DS; Moniz, SJA; Sathasivam, S; Scanlon, DO; Walsh, A, et al
8-Jul-2015Buckeridge et al. Reply:Buckeridge, J; Catlow, CRA; Scanlon, DO; Keal, TW; Sherwood, P, et al
12-Oct-2016Can Pb-free halide double perovskites support high-efficiency solar cells?Savory, CN; Walsh, A; Scanlon, DO
18-Jun-2015Catalytic Amine Oxidation under Ambient Aerobic Conditions: Mimicry of Monoamine Oxidase BMurray, AT; Dowley, MJH; Pradaux-Caggiano, F; Baldansuren, A; Fielding, AJ, et al
18-Jan-2015Cation-Dependent Intrinsic Electrical Conductivity in lsostructural Tetrathiafulvalene-Based Microporous Metal-Organic FrameworksPark, SS; Hontz, ER; Sun, L; Hendon, CH; Walsh, A, et al
11-May-2015Chemical principles underpinning the performance of the metal–organic framework HKUST-1Hendon, CH; Walsh, A
14-Dec-2015Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational studyCadman, LK; Bristow, JK; Stubbs, NE; Tiana, D; Mahon, MF, et al
18-Mar-2016Computational materials design of crystalline solidsButler, KT; Frost, JM; Skelton, JM; Svane, KL; Walsh, A