Aron Walsh

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Suhuai WeiBeijing Computational Science Research CenterVerified email at csrc.ac.cn
Keith Tobias ButlerStaff Scientist, SciML, Scientific Computing Division, Rutherford Appleton LaboratoriesVerified email at stfc.ac.uk
David ScanlonProfessor of Computational Materials Design at University College LondonVerified email at ucl.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 ChemistryVerified email at tcd.ie
xin-gao gongfudan universityVerified email at fudan.edu.cn
C. Richard A. Catlowprofessor of ChemistryVerified email at ucl.ac.uk
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 BuckeridgeLecturer, London South Bank UniversityVerified email at lsbu.ac.uk
Scott M WoodleyReader of Computational Chemistry and Physics, University College LondonVerified email at ucl.ac.uk
Adam J. JacksonScience and Technology Facilities Council, UK (Scientific Computing Dept)Verified email at stfc.ac.uk
Ji-Sang ParkDepartment of Physics, Kyungpook National UniversityVerified email at knu.ac.kr
David J. PayneProfessor at Imperial College London and Director, Research Complex at HarwellVerified email at imperial.ac.uk
Yanfa YanThe University of ToledoVerified email at utoledo.edu
davide tianaUniversity College Cork, IrelandVerified email at ucc.ie
Lee A. BurtonAssociate Professor, Shanghai UniversityVerified email at shu.edu.cn
Ruo Xi YangLawrence Berkeley National LabVerified email at lbl.gov

Aron Walsh

Department of Materials, Imperial College London; Yonsei University

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	4040	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	1826	2014
Band alignment of rutile and anatase TiO 2 DO Scanlon, CW Dunnill, J Buckeridge, SA Shevlin, AJ Logsdail, ... Nature materials 12 (9), 798-801, 2013	1792	2013
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), 1-8, 2015	1577	2015
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	1044	2013
Machine learning for molecular and materials science KT Butler, DW Davies, H Cartwright, O Isayev, A Walsh Nature 559 (7715), 547-555, 2018	985	2018
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	763	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	700	2010
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	672	2008
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	577	2010
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	571	2012
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	570	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	564	2009
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	523	2013
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), 1-11, 2015	503	2015
Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells JM Frost, KT Butler, A Walsh APL Materials 2 (8), 081506, 2014	497	2014
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	466	2015
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	466	2013
Compositional dependence of structural and electronic properties of Cu2ZnSn(S,Se)4 alloys for thin film solar cells S Chen, A Walsh, JH Yang, XG Gong, L Sun, PX Yang, JH Chu, SH Wei Physical Review B 83 (12), 125201, 2011	448	2011
Electronic structure and stability of quaternary chalcogenide semiconductors derived from cation cross-substitution of II-VI and I-III-VI 2 compounds S Chen, XG Gong, A Walsh, SH Wei Physical Review B 79 (16), 165211, 2009	446	2009

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