Proceedings of MATSUS Fall 2024 Conference (MATSUSFall24)
DOI: https://doi.org/10.29363/nanoge.matsusfall.2024.323
Publication date: 28th August 2024
Major advances in high energy density lithium-ion batteries require new compositions and underpinning materials science. Indeed, a greater fundamental understanding into battery materials require atomic- and nano-scale characterisation of their ion transport, electronic and local structural behavior, which are important for optimizing performance. In this context, combined modelling-experimental work has been a powerful approach for investigating these properties. This presentation will describe such studies [1, 2] in two principal areas: (i) investigating redox processes and nanostructures of Li-rich layered oxide and disordered rocksalt oxyfluoride compounds as promising high capacity battery cathodes; here, the atomic-scale mechanisms governing oxygen redox behaviour in Li-rich structures are not fully understood (ii) ion transport and doping mechanisms in solid electrolytes for solid-state batteries including oxide and thiophosphate-type fast-ion conductors.
[1] K. McColl, M.S. Islam et al., Nature Mater., 23, 826 (2024); K. McColl et al., Nature Comms, 13, 5275 (2022).
[2] J.A. Dawson and M.S. Islam., ACS Mater. Lett., 4, 424 (2022); A.D. Poletayev et al., Nature, 625, 7996 (2024).
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