First principle study of Li<italic>X</italic>S<sub>2</sub> (<italic>X</italic> = Ga, In) as cathode materials for Li ion batteries

First principle study of LiXS₂ (X = Ga, In) as cathode materials for Li ion batteries

Rao Feng-Ya¹, Ning Fang-Hua¹, Jiang Li-Wei¹, Zeng Xiang-Ming², Wu Mu-Sheng¹, Xu Bo¹, Ouyang Chu-Ying^{1, †,}

The TDOSs of the LiGaS₂ (a) and LiInS₂ (b) cathode materials before (solid black lines) and after (dashed blue lines) delithiation. The Fermi level is set to be 0 eV.