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Showing 1 to 2 of 2 for “"metal electronic structure"”.

  1. Ab-initio study of cathode materials for lithium batteries

    Using first principles calculations the effect of electronic structure on the stability of positive electrode materials for lithium rechargeable batteries is investigated. The investigation focuses upon lithiated α-NaFeO₂ type 3d transition metal oxide structures. It is found that the ligand field …

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