Aron Walsh

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Keith Tobias ButlerDepartment of Chemistry, University College LondonVerified email at ucl.ac.uk
Suhuai WeiEastern Institute of Technology, Ningbo, ChinaVerified email at eitech.edu.cn
David ScanlonChair in Computational Chemistry at University of BirminghamVerified email at bham.ac.uk
Jarvist Moore FrostImperial College London / KUANO.ai; on Twitter as @JarvistFrostVerified email at ic.ac.uk
Jonathan Michael SkeltonDepartment of Chemistry, University of ManchesterVerified email at manchester.ac.uk
C. Richard A. Catlowprofessor of ChemistryVerified email at ucl.ac.uk
Graeme WatsonProfessor of Theoretical Chemistry, Trinity College DublinVerified email at tcd.ie
xin-gao gongfudan universityVerified email at fudan.edu.cn
Shiyou Chen (陈时友)Professor, East China Normal UniversityVerified email at ee.ecnu.edu.cn
Alexey A. SokolUniversity College LondonVerified email at ucl.ac.uk
Russell G Egdell or edgell rgProfessor of Inorganic Chemistry, University of OxfordVerified email at chem.ox.ac.uk
John BuckeridgeSenior Lecturer, London South Bank UniversityVerified email at lsbu.ac.uk
Ji-Sang ParkSKKU Advanced Institute of Nanotechnology (SAINT) and Department of Nano Engineering, SungkyunkwanVerified email at skku.edu
Scott M WoodleyProfessor of Computational Chemistry and Physics, University College LondonVerified email at ucl.ac.uk
Young-Kwang JungUniversity of CambridgeVerified email at cam.ac.uk
Adam J. JacksonScience and Technology Facilities Council, UK (Scientific Computing Dept)Verified email at stfc.ac.uk
Daniel W. DaviesBenevolentAIVerified email at benevolent.ai
Ruo Xi YangLawrence Berkeley National LabVerified email at lbl.gov
davide tianaUniversity College Cork, IrelandVerified email at ucc.ie
David J. PayneProfessor at Imperial College LondonVerified email at imperial.ac.uk

Aron Walsh

Department of Materials, Imperial College London

Verified email at imperial.ac.uk - Homepage

Materials Design Solid-State Chemistry AI for Science Solar Energy


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Nanocrystals of Cesium Lead Halide Perovskites (CsPbX₃, X = Cl, Br, and I): Novel Optoelectronic Materials Showing Bright Emission with Wide Color Gamut L Protesescu, S Yakunin, MI Bodnarchuk, F Krieg, R Caputo, CH Hendon, ... Nano letters 15 (6), 3692-3696, 2015	8379	2015
Machine learning for molecular and materials science KT Butler, DW Davies, H Cartwright, O Isayev, A Walsh Nature 559 (7715), 547-555, 2018	3574	2018
Ionic transport in hybrid lead iodide perovskite solar cells C Eames, JM Frost, PRF Barnes, BC O’regan, A Walsh, MS Islam Nature communications 6 (1), 7497, 2015	2807	2015
Atomistic origins of high-performance in hybrid halide perovskite solar cells JM Frost, KT Butler, F Brivio, CH Hendon, M Van Schilfgaarde, A Walsh Nano Letters 14, 2584−2590, 2014	2626	2014
Band alignment of rutile and anatase TiO₂ DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ... Nature materials 12 (9), 798-801, 2013	2490	2013
Classification of Lattice Defects in the Kesterite Cu₂ZnSnS₄ and Cu₂ZnSnSe₄ Earth‐Abundant Solar Cell Absorbers S Chen, A Walsh, XG Gong, SH Wei Advanced materials 25 (11), 1522-1539, 2013	1546	2013
Consensus statement for stability assessment and reporting for perovskite photovoltaics based on ISOS procedures MV Khenkin, EA Katz, A Abate, G Bardizza, JJ Berry, C Brabec, F Brunetti, ... Nature Energy 5 (1), 35-49, 2020	1133	2020
Intrinsic point defects and complexes in the quaternary kesterite semiconductor Cu2ZnSnS4 S Chen, JH Yang, XG Gong, A Walsh, SH Wei Physical Review B 81 (24), 245204, 2010	971	2010
Crystal and electronic band structure of Cu2ZnSnX4 (X= S and Se) photovoltaic absorbers: first-principles insights S Chen, XG Gong, A Walsh, SH Wei Applied Physics Letters 94 (4), 041903-041903-3, 2009	933	2009
Nature of the band gap of In2O3 revealed by first-principles calculations and X-ray spectroscopy A Walsh, JLF Da Silva, SH Wei, C Körber, A Klein, LFJ Piper, A DeMasi, ... Physical review letters 100 (16), 167402, 2008	857	2008
Relativistic quasiparticle self-consistent electronic structure of hybrid halide perovskite photovoltaic absorbers F Brivio, KT Butler, A Walsh, M Van Schilfgaarde Physical Review B 89 (15), 155204, 2014	834	2014
Band Edge Electronic Structure of BiVO₄: Elucidating the Role of the Bi s and V d Orbitals A Walsh, Y Yan, MN Huda, MM Al-Jassim, SH Wei Chemistry of Materials 21 (3), 547-551, 2009	818	2009
Engineering the optical response of the titanium-MIL-125 metal–organic framework through ligand functionalization CH Hendon, D Tiana, M Fontecave, C Sanchez, L D’arras, C Sassoye, ... Journal of the American Chemical Society 135 (30), 10942-10945, 2013	809	2013
Kesterite Thin‐Film Solar Cells: Advances in Materials Modelling of Cu₂ZnSnS₄ A Walsh, S Chen, SH Wei, XG Gong Advanced Energy Materials 2 (4), 400-409, 2012	799	2012
Self‐regulation mechanism for charged point defects in hybrid halide perovskites A Walsh, DO Scanlon, S Chen, XG Gong, SH Wei Angewandte Chemie 127 (6), 1811-1814, 2015	763	2015
Stereochemistry of post-transition metal oxides: revision of the classical lone pair model A Walsh, DJ Payne, RG Egdell, GW Watson Chemical Society Reviews 40 (9), 4455-4463, 2011	753	2011
The dynamics of methylammonium ions in hybrid organic–inorganic perovskite solar cells AMA Leguy, JM Frost, AP McMahon, VG Sakai, W Kockelmann, CH Law, ... Nature communications 6 (1), 7124, 2015	706	2015
Structural and electronic properties of hybrid perovskites for high-efficiency thin-film photovoltaics from first-principles F Brivio, AB Walker, A Walsh APL Materials 1 (4), 042111, 2013	702	2013
Defect physics of the kesterite thin-film solar cell absorber Cu2ZnSnS4 S Chen, XG Gong, A Walsh, SH Wei Applied Physics Letters 96 (2), 021902-021902-3, 2010	702	2010
Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells JM Frost, KT Butler, A Walsh APL Materials 2 (8), 081506, 2014	611	2014

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