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, †,}

Optimized structures of the LiXS₂ (X = Ga, In) compounds before ((a), (c)) and after ((b), (d)) delithiation.