Jonathan Michael Skelton

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Aron WalshDepartment of Materials, Imperial College London; Yonsei UniversityVerified email at imperial.ac.uk
Steve ParkerProfessor of Chemistry, University of BathVerified email at bath.ac.uk
Jarvist Moore FrostImperial College London / KUANO.ai; on Twitter as @JarvistFrostVerified email at ic.ac.uk
Anuradha PallipurathSchool of Chemical and Process engineering, University of LeedsVerified email at leeds.ac.uk
Adam J. JacksonScience and Technology Facilities Council, UK (Scientific Computing Dept)Verified email at stfc.ac.uk
Paul RaithbyProfessor of Inorganic Chemistry, University of BathVerified email at bath.ac.uk
Lee A. BurtonAssociate Professor, Shanghai UniversityVerified email at shu.edu.cn
Keith Tobias ButlerStaff Scientist, SciML, Scientific Computing Division, Rutherford Appleton LaboratoriesVerified email at stfc.ac.uk
E. Lora da SilvaIFIMUP, Department of Physics and Astronomy, University of PortoVerified email at fc.up.pt
Atsushi TogoNational Institute for Materials ScienceVerified email at nims.go.jp
Lauren HatcherCardiff UniversityVerified email at cardiff.ac.uk
Isao TanakaKyoto UniversityVerified email at kyoto-u.ac.jp
Tim VealProfessor of Materials Physics, Stephenson Inst. for Ren. Energy and Physics, Univ. of LiverpoolVerified email at liverpool.ac.uk
Federico BrivioCharles UniversityVerified email at bath.ac.uk
Piers R F BarnesImperial College LondonVerified email at imperial.ac.uk
Alejandro R. GoñiICREA Research Prof.Verified email at icmab.es
Aurelien M.A. LeguyImperial College LondonVerified email at imperial.ac.uk
M.T. WellerUniversity of CardiffVerified email at cardiff.ac.uk
Katrine L. SvanePost Doc, Copenhagen UniversityVerified email at chem.ku.dk
David ScanlonProfessor of Computational Materials Design at University College LondonVerified email at ucl.ac.uk

Jonathan Michael Skelton

School of Chemistry, University of Manchester

Verified email at manchester.ac.uk - Homepage

Computational Materials Modelling Lattice Dynamics Thermodynamics Thermal Transport Electronic Structure Theory


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Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide F Brivio, JM Frost, JM Skelton, AJ Jackson, OJ Weber, MT Weller, AR Goni, ... Physical Review B 92 (14), 144308, 2015	468	2015
Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskites AMA Leguy, AR Goñi, JM Frost, J Skelton, F Brivio, X Rodríguez-Martínez, ... Physical Chemistry Chemical Physics 18 (39), 27051-27066, 2016	281	2016
Metallic Conductivity in a Two-Dimensional Cobalt Dithiolene Metal–Organic Framework AJ Clough, JM Skelton, CA Downes, AA de la Rosa, JW Yoo, A Walsh, ... Journal of the American Chemical Society 139 (31), 10863-10867, 2017	233	2017
Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles JM Skelton, SC Parker, A Togo, I Tanaka, A Walsh Physical Review B 89, 205203, 2014	220	2014
Electronic and optical properties of single crystal SnS 2: an earth-abundant disulfide photocatalyst LA Burton, TJ Whittles, D Hesp, WM Linhart, JM Skelton, B Hou, ... Journal of Materials Chemistry A 4 (4), 1312-1318, 2016	216	2016
Direct Observation of Dynamic Symmetry Breaking above Room Temperature in Methylammonium Lead Iodide Perovskite AN Beecher, OE Semonin, JM Skelton, JM Frost, MW Terban, H Zhai, ... ACS Energy Letters 1 (4), 880-887, 2016	207	2016
Band Alignments, Valence Bands, and Core Levels in the Tin Sulfides SnS, SnS₂, and Sn₂S₃: Experiment and Theory TJ Whittles, LA Burton, JM Skelton, A Walsh, TD Veal, VR Dhanak Chemistry of Materials 28 (11), 3718-3726, 2016	154	2016
Spontaneous Octahedral Tilting in the Cubic Inorganic Cesium Halide Perovskites CsSnX₃ and CsPbX₃ (X = F, Cl, Br, I) RX Yang, JM Skelton, EL da Silva, JM Frost, A Walsh The Journal of Physical Chemistry Letters 8 (19), 4720-4726, 2017	152	2017
Anharmonicity in the High-Temperature Phase of SnSe: Soft Modes and Three-Phonon Interactions JM Skelton, LA Burton, SC Parker, A Walsh, CE Kim, A Soon, ... Physical review letters 117 (7), 075502, 2016	145	2016
Anharmonicity in the High-Temperature Phase of SnSe: Soft Modes and Three-Phonon Interactions JM Skelton, LA Burton, SC Parker, A Walsh, CE Kim, A Soon, ... Physical Review Letters 117 (7), 075502, 2016	145	2016
http://opus. bath. ac. uk J Skelton, D Loke, T Lee, S Elliott	145*
Lattice dynamics of the tin sulphides SnS 2, SnS and Sn 2 S 3: vibrational spectra and thermal transport JM Skelton, LA Burton, AJ Jackson, F Oba, SC Parker, A Walsh Physical Chemistry Chemical Physics 19 (19), 12452-12465, 2017	143	2017
Phase stability and transformations in the halide perovskite CsSnI 3 EL da Silva, JM Skelton, SC Parker, A Walsh Physical Review B 91 (14), 144107, 2015	139	2015
Phonon anharmonicity, lifetimes, and thermal transport in CH 3 NH 3 PbI 3 from many-body perturbation theory LD Whalley, JM Skelton, JM Frost, A Walsh Physical Review B 94 (22), 220301, 2016	125	2016
Computational Screening of All Stoichiometric Inorganic Materials DW Davies, KT Butler, AJ Jackson, A Morris, JM Frost, JM Skelton, ... Chem 1 (4), 617-627, 2016	92	2016
Computational materials design of crystalline solids KT Butler, JM Frost, JM Skelton, KL Svane, A Walsh Chemical Society Reviews 45 (22), 6138-6146, 2016	86	2016
Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors JM Skelton, D Tiana, SC Parker, A Togo, I Tanaka, A Walsh The Journal of chemical physics 143 (6), 064710, 2015	73	2015
Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors JM Skelton, D Tiana, SC Parker, A Togo, I Tanaka, A Walsh The Journal of Chemical Physics 143 (6), 064710, 2015	73	2015
Chemical and Lattice Stability of the Tin Sulfides JM Skelton, LA Burton, F Oba, A Walsh The Journal of Physical Chemistry C 121 (12), 6446-6454, 2017	70	2017
Vibrational spectra and lattice thermal conductivity of kesterite-structured Cu2ZnSnS4 and Cu2ZnSnSe4 JM Skelton, AJ Jackson, M Dimitrievska, SK Wallace, A Walsh APL Materials 3 (4), 041102, 2015	69	2015

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