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    Open Access

    Density Functional Theory Calculations for the Evaluation of FePS3 as a Promising Anode for Mg Ion Batteries

    FePS3, a classical 2D layered material with transition metal phosphorous trichalcogenides, was investigated as an anode material for Mg ion batteries. We used density functional theory to calculate the Mg storage...

    Yu Cao, Fusheng Pan, Huili Wang, Zhanxu Yang, Jie Sun in Transactions of Tian** University (2020)