| Slow cooling of hot polarons in halide perovskite solar cells JM Frost, LD Whalley, A Walsh ACS energy letters 2 (12), 2647-2652, 2017 | 175 | 2017 |
| Phonon anharmonicity, lifetimes, and thermal transport in from many-body perturbation theory LD Whalley, JM Skelton, JM Frost, A Walsh Physical Review B 94 (22), 220301, 2016 | 174 | 2016 |
| 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 | 146 | 2019 |
| Perspective: Theory and simulation of hybrid halide perovskites LD Whalley, JM Frost, YK Jung, A Walsh The Journal of chemical physics 146 (22), 2017 | 144 | 2017 |
| The physical significance of imaginary phonon modes in crystals I Pallikara, P Kayastha, JM Skelton, LD Whalley Electronic Structure 4 (3), 033002, 2022 | 90 | 2022 |
| 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 | 90 | 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 |
| 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 | 58 | 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 | 57 | 2021 |
| 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 | 42 | 2020 |
| effmass: An effective mass package LD Whalley Journal of Open Source Software 3 (28), 797, 2018 | 42 | 2018 |
| 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 | 27 | 2020 |
| 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 | 13 | 2023 |
| 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 | 10 | 2022 |
| Roadmap on established and emerging photovoltaics for sustainable energy conversion JC Blakesley, RS Bonilla, M Freitag, AM Ganose, N Gasparini, ... Journal of Physics: Energy 6 (4), 041501, 2024 | 8* | 2024 |
| A first-principles thermodynamic model for the Ba-Zr-S system in equilibrium with sulfur vapour P Kayastha, G Longo, LD Whalley ACS Applied Energy Materials, 2024 | 4 | 2024 |
| Steric Engineering of Point Defects in Lead Halide Perovskites LD Whalley The Journal of Physical Chemistry C 127 (32), 15738–15746, 2023 | 1 | 2023 |
| Octahedral tilt-driven phase transitions in BaZrS3 chalcogenide perovskite P Kayastha, E Fransson, P Erhart, LD Whalley arXiv preprint arXiv:2411.14289, 2024 | | 2024 |
| Celebrating and supporting early career researchers within underrepresented groups in materials science L Whalley, A Ramadan, M Coke, Y Liu, N Lok Kwan Li Nature Communications 15, 4030, 2024 | | 2024 |
| Defects and distortions in hybrid halide perovskites L Whalley Imperial College London, 2020 | | 2020 |
Aron WalshDepartment of Materials, Imperial College LondonVerified email at imperial.ac.uk
