Aron Walsh

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Keith Tobias ButlerDepartment of Chemistry, University College LondonVerified email at ucl.ac.uk
Suhuai WeiBeijing Computational Science Research CenterVerified email at csrc.ac.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 SkeltonSchool of Chemistry, University of ManchesterVerified email at manchester.ac.uk
Graeme WatsonProfessor of Theoretical Chemistry, Trinity College DublinVerified email at tcd.ie
C. Richard A. Catlowprofessor of ChemistryVerified email at ucl.ac.uk
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
Scott M WoodleyProfessor of Computational Chemistry and Physics, University College LondonVerified email at ucl.ac.uk
Ji-Sang ParkSKKU Advanced Institute of Nanotechnology (SAINT) and Department of Nano Engineering, SungkyunkwanVerified email at skku.edu
Young-Kwang JungUniversity of CambridgeVerified email at cam.ac.uk
Daniel W. DaviesBenevolentAIVerified email at benevolent.ai
Adam J. JacksonScience and Technology Facilities Council, UK (Scientific Computing Dept)Verified email at stfc.ac.uk
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 London and Director, Research Complex at HarwellVerified email at imperial.ac.uk

Aron Walsh

Department of Materials, Imperial College London

Verified email at imperial.ac.uk - Homepage

Materials Design Energy Materials Solid-State Chemistry Metal-Organic Frameworks Perovskite Solar Cells


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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	7180	2015
Machine learning for molecular and materials science KT Butler, DW Davies, H Cartwright, O Isayev, A Walsh Nature 559 (7715), 547-555, 2018	2831	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	2482	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	2417	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	2276	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	1410	2013
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	887	2009
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	865	2010
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	798	2020
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	792	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	786	2014
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	739	2012
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	730	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	722	2013
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	694	2015
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	679	2010
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	668	2013
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	666	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	646	2015
Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells JM Frost, KT Butler, A Walsh APL Materials 2 (8), 081506, 2014	587	2014

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