| Perovskite-inspired materials for photovoltaics and beyond—from design to devices YT Huang, SR Kavanagh, DO Scanlon, A Walsh, RLZ Hoye Nanotechnology 32 (13), 132004, 2021 | 215 | 2021 |
| Cation disorder engineering yields AgBiS2 nanocrystals with enhanced optical absorption for efficient ultrathin solar cells Y Wang, SR Kavanagh, I Burgués-Ceballos, A Walsh, DO Scanlon, ... Nature Photonics 16 (3), 235-241, 2022 | 174 | 2022 |
| Bandgap lowering in mixed alloys of Cs 2 Ag (Sb x Bi 1− x) Br 6 double perovskite thin films Z Li, SR Kavanagh, M Napari, RG Palgrave, M Abdi-Jalebi, ... Journal of Materials Chemistry A 8 (41), 21780-21788, 2020 | 102 | 2020 |
| Identifying the ground state structures of point defects in solids I Mosquera-Lois, SR Kavanagh, A Walsh, DO Scanlon npj Computational Materials 9 (1), 25, 2023 | 71 | 2023 |
| Rapid recombination by cadmium vacancies in CdTe SR Kavanagh, A Walsh, DO Scanlon ACS Energy Letters 6 (4), 1392-1398, 2021 | 66 | 2021 |
| Strong absorption and ultrafast localisation in NaBiS2 nanocrystals with slow charge-carrier recombination YT Huang, SR Kavanagh, M Righetto, M Rusu, I Levine, T Unold, ... Nature communications 13 (1), 4960, 2022 | 54 | 2022 |
| Frenkel Excitons in Vacancy-Ordered Titanium Halide Perovskites (Cs2TiX6) SR Kavanagh, CN Savory, SM Liga, G Konstantatos, A Walsh, ... The journal of physical chemistry letters 13 (47), 10965-10975, 2022 | 49 | 2022 |
| Lone pair driven anisotropy in antimony chalcogenide semiconductors X Wang, Z Li, SR Kavanagh, AM Ganose, A Walsh Physical Chemistry Chemical Physics 24 (12), 7195-7202, 2022 | 42 | 2022 |
| ShakeNBreak: Navigating the defect configurational landscape I Mosquera-Lois, SR Kavanagh, A Walsh, DO Scanlon The Journal of Open Source Software, 2022 | 37 | 2022 |
| Hidden spontaneous polarisation in the chalcohalide photovoltaic absorber Sn 2 SbS 2 I 3 SR Kavanagh, CN Savory, DO Scanlon, A Walsh Materials Horizons 8 (10), 2709-2716, 2021 | 37 | 2021 |
| Impact of metastable defect structures on carrier recombination in solar cells SR Kavanagh, DO Scanlon, A Walsh, C Freysoldt Faraday Discussions 239, 339-356, 2022 | 31 | 2022 |
| Enhanced visible light absorption in layered Cs 3 Bi 2 Br 9 through mixed-valence Sn (ii)/Sn (iv) doping CJ Krajewska, SR Kavanagh, L Zhang, DJ Kubicki, K Dey, K Gałkowski, ... Chemical Science 12 (44), 14686-14699, 2021 | 31 | 2021 |
| Band versus polaron: Charge transport in antimony chalcogenides X Wang, AM Ganose, SR Kavanagh, A Walsh ACS Energy Letters 7 (9), 2954-2960, 2022 | 30 | 2022 |
| In search of hidden defects I Mosquera-Lois, SR Kavanagh Matter 4 (8), 2602-2605, 2021 | 30 | 2021 |
| Solvent engineered synthesis of layered SnO for high-performance anodes S Jaśkaniec, SR Kavanagh, J Coelho, S Ryan, C Hobbs, A Walsh, ... npj 2D Materials and Applications 5 (1), 27, 2021 | 25 | 2021 |
| doped: Python toolkit for robust and repeatable charged defect supercell calculations SR Kavanagh, AG Squires, A Nicolson, I Mosquera-Lois, AM Ganose, ... Journal of Open Source Software 9 (96), 6433, 2024 | 24* | 2024 |
| Imperfections are not 0 K: free energy of point defects in crystals I Mosquera-Lois, SR Kavanagh, J Klarbring, K Tolborg, A Walsh Chemical Society Reviews, 2023 | 23 | 2023 |
| Cation disorder dominates the defect chemistry of high-voltage LiMn 1.5 Ni 0.5 O 4 (LMNO) spinel cathodes J Cen, B Zhu, SR Kavanagh, AG Squires, DO Scanlon Journal of Materials Chemistry A 11 (25), 13353-13370, 2023 | 23 | 2023 |
| Four-electron negative- vacancy defects in antimony selenide X Wang, SR Kavanagh, DO Scanlon, A Walsh Physical Review B 108 (13), 134102, 2023 | 20 | 2023 |
| Understanding the Photocatalytic Activity of La5Ti2AgS5O7 and La5Ti2CuS5O7 for Green Hydrogen Production: Computational Insights K Brlec, SR Kavanagh, CN Savory, DO Scanlon ACS Applied Energy Materials 5 (2), 1992-2001, 2022 | 17 | 2022 |
Aron WalshDepartment of Materials, Imperial College London在 imperial.ac.uk 的电子邮件经过验证