Abstract:Suppressing unfavourable short-range ordering in disordered rock salt lithium-ion cathode materials is seen as a key research goal on their route to commercialisation. In this study we use cluster-expansion-driven Monte Carlo simulations of a model 3d-transition metal disordered rock salt oxyfluoride system to investigate the effect of many component cation substitution on the suppression of short- range ordering in disordered rock salt cathode materials. We confirm that many-cation substitution is effective i… Show more
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