| Transition metal migration and O2 formation underpin voltage hysteresis in oxygen-redox disordered rocksalt cathodes K McColl, RA House, GJ Rees, AG Squires, SW Coles, PG Bruce, ... Nature communications 13 (1), 5275, 2022 | 71 | 2022 |
| Evidence for a Solid-Electrolyte Inductive Effect in the Superionic Conductor Li10Ge1–xSnxP2S12 SP Culver, AG Squires, N Minafra, CWF Armstrong, T Krauskopf, ... Journal of the American Chemical Society 142 (50), 21210-21219, 2020 | 63 | 2020 |
| Native Defects and Their Doping Response in the Lithium Solid Electrolyte Li7La3Zr2O12 AG Squires, DO Scanlon, BJ Morgan Chemistry of Materials 32 (5), 1876-1886, 2019 | 62 | 2019 |
| 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 |
| py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations AG Squires, DO Scanlon, BJ Morgan The Journal of Open Source Software 8 (82), 2023 | 19 | 2023 |
| Low electronic conductivity of Li7La3Zr2O12 solid electrolytes from first principles AG Squires, DW Davies, S Kim, DO Scanlon, A Walsh, BJ Morgan Physical Review Materials 6 (8), 085401, 2022 | 19* | 2022 |
| doped: Python toolkit for robust and repeatable charged defect supercell calculations SR Kavanagh, AG Squires, A Nicolson, I Mosquera-Lois, AM Ganose, ... arXiv preprint arXiv:2403.08012, 2024 | 18 | 2024 |
| Understanding the limits to short-range order suppression in many-component disordered rock salt lithium-ion cathode materials AG Squires, DO Scanlon Journal of Materials Chemistry A 11 (25), 13765-13773, 2023 | 12 | 2023 |
| Aliovalent doping strategies for enhancing ionic conductivity in Li3OCl solid electrolytes: a first-principles assessment AG Squires, JM Dean, BJ Morgan Chemrxiv, 2021 | 12* | 2021 |
| Interplay of Static and Dynamic Disorder in the Mixed-Metal Chalcohalide Sn2SbS2I3 A Nicolson, J Breternitz, SR Kavanagh, Y Tomm, K Morita, AG Squires, ... Journal of the American Chemical Society 145 (23), 12509-12517, 2023 | 9 | 2023 |
| Anion-polarisation-directed short-range-order in antiperovskite Li 2 FeSO SW Coles, V Falkowski, HS Geddes, GE Pérez, SG Booth, AG Squires, ... Journal of Materials Chemistry A 11 (24), 13016-13026, 2023 | 9 | 2023 |
| kinisi: Bayesian analysis of mass transport from molecular dynamics simulations AR McCluskey, AG Squires, J Dunn, SW Coles, BJ Morgan Journal of Open Source Software 9 (94), 1-3, 2024 | 6 | 2024 |
| Impact of solution chemistry on growth and structural features of Mo-Substituted spinel iron oxides C Haouari, AG Squires, R Berthelot, L Stievano, MT Sougrati, BJ Morgan, ... Inorganic Chemistry 60 (10), 7217-7227, 2021 | 5 | 2021 |
| Oxygen Dimerization as a Defect-Driven Process in Bulk LiNiO2 AG Squires, L Ganeshkumar, CN Savory, SR Kavanagh, DO Scanlon ACS Energy Letters 9 (8), 4180-4187, 2024 | 4 | 2024 |
| Li‐Site Defects Induce Formation of Li‐Rich Impurity Phases: Implications for Charge Distribution and Performance of LiNi0.5‐xMxMn1.5O4 Cathodes (M = Fe … BE Murdock, J Cen, AG Squires, SR Kavanagh, DO Scanlon, L Zhang, ... Advanced Materials, 2400343, 2024 | 2 | 2024 |
| Correlated Anion Disorder in Heteroanionic Cubic TiOF2 C Legein, BJ Morgan, AG Squires, M Body, W Li, M Burbano, M Salanne, ... Journal of the American Chemical Society 146 (31), 21889-21902, 2024 | 1 | 2024 |
| Enabling ionic transport in Li 3 AlP 2: the roles of defects and disorder J Hu, AG Squires, J Kondek, AB Youd, P Vadhva, M Johnson, PP Paul, ... Journal of Materials Chemistry A, 2025 | | 2025 |
| Computational modelling of defects in battery materials A Squires University of Bath, 2022 | | 2022 |
Benjamin J. MorganDepartment of Chemistry, University of BathVerified email at bath.ac.uk