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Lucy Whalley
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Slow cooling of hot polarons in halide perovskite solar cells
JM Frost, LD Whalley, A Walsh
ACS energy letters 2 (12), 2647-2652, 2017
1632017
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
1602016
Perspective: Theory and simulation of hybrid halide perovskites
LD Whalley, JM Frost, YK Jung, A Walsh
The Journal of chemical physics 146 (22), 2017
1342017
Accumulation of deep traps at grain boundaries in halide perovskites
JS Park, J Calbo, YK Jung, LD Whalley, A Walsh
ACS Energy Letters 4 (6), 1321-1327, 2019
1302019
Impact of nonparabolic electronic band structure on the optical and transport properties of photovoltaic materials
LD Whalley, JM Frost, BJ Morgan, A Walsh
Physical review B 99 (8), 085207, 2019
772019
Intrinsic doping limit and defect-assisted luminescence in Cs 4 PbBr 6
YK Jung, J Calbo, JS Park, LD Whalley, S Kim, A Walsh
Journal of materials chemistry A 7 (35), 20254-20261, 2019
572019
H-center and V-center defects in hybrid halide perovskites
LD Whalley, R Crespo-Otero, A Walsh
ACS Energy Letters 2 (12), 2713-2714, 2017
572017
The physical significance of imaginary phonon modes in crystals
I Pallikara, P Kayastha, JM Skelton, LD Whalley
Electronic Structure 4 (3), 033002, 2022
492022
Giant Huang–Rhys factor for electron capture by the iodine intersitial in perovskite solar cells
LD Whalley, P Van Gerwen, JM Frost, S Kim, SN Hood, A Walsh
Journal of the American Chemical Society 143 (24), 9123-9128, 2021
382021
effmass: An effective mass package
LD Whalley
Journal of Open Source Software 3 (28), 797, 2018
342018
Quick-start guide for first-principles modelling of point defects in crystalline materials
S Kim, SN Hood, JS Park, LD Whalley, A Walsh
JPhys Energy 2 (3), 036001, 2020
302020
Carriercapture. jl: Anharmonic carrier capture
S Kim, SN Hood, P van Gerwen, LD Whalley, A Walsh
Journal of Open Source Software 5 (47), 2102, 2020
172020
Modelling interfaces in thin-film photovoltaic devices
MDK Jones, JA Dawson, S Campbell, V Barrioz, LD Whalley, Y Qu
Frontiers in Chemistry 10, 920676, 2022
52022
High‐Temperature Equilibrium of 3D and 2D Chalcogenide Perovskites
P Kayastha, D Tiwari, A Holland, OS Hutter, K Durose, LD Whalley, ...
Solar RRL 7 (9), 2201078, 2023
32023
A first-principles thermodynamic model for the Ba-Zr-S system in equilibrium with sulfur vapour
P Kayastha, G Longo, LD Whalley
arXiv preprint arXiv:2401.06092, 2024
2024
Roadmap on Photovoltaic Absorber Materials for Sustainable Energy Conversion
JC Blakesley, RS Bonilla, M Freitag, AM Ganose, N Gasparini, ...
arXiv preprint arXiv:2310.19430, 2023
2023
Steric Engineering of Point Defects in Lead Halide Perovskites
LD Whalley
The Journal of Physical Chemistry C 127 (32), 15738–15746, 2023
2023
Defects and distortions in hybrid halide perovskites
L Whalley
Imperial College London, 2020
2020
Polarons in CH3NH3.PBI3: Formation, transport and recombination
J Frost, L Whalley, J Skelton, P Azarhoosh, S McKechnie, M Schilfgaarde, ...
APS March Meeting Abstracts 2018, S29. 009, 2018
2018
Slow cooling of hot polarons in halide perovskite solar cells
J Moore Frost, LD Whalley, A Walsh
arXiv e-prints, arXiv: 1708.04158, 2017
2017
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