Slow cooling of hot polarons in halide perovskite solar cells JM Frost, LD Whalley, A Walsh ACS energy letters 2 (12), 2647-2652, 2017 | 165 | 2017 |
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 | 163 | 2016 |
Perspective: Theory and simulation of hybrid halide perovskites LD Whalley, JM Frost, YK Jung, A Walsh The Journal of chemical physics 146 (22), 2017 | 137 | 2017 |
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 | 131 | 2019 |
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 | 79 | 2019 |
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 | 59 | 2019 |
The physical significance of imaginary phonon modes in crystals I Pallikara, P Kayastha, JM Skelton, LD Whalley Electronic Structure 4 (3), 033002, 2022 | 57 | 2022 |
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 | 57 | 2017 |
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 | 42 | 2021 |
effmass: An effective mass package LD Whalley Journal of Open Source Software 3 (28), 797, 2018 | 37 | 2018 |
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 | 34 | 2020 |
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 | 18 | 2020 |
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 | 6 | 2022 |
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 | 5 | 2023 |
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 | 1 | 2023 |
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 |
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 |