Green Synthesis of Fig – Like Li2s – MoC Nanocomposites for Advanced Lithium – Sulfur Batteries

Li2S is considered as a promising alternative for the intercalation – type cathode materials because of its high theoretical specific capacity (1166 mAh g –1 ). However, the large–scale application of Li2S is limited by its intrinsic low electronic/ionic conductivity and severe shuttle effect of polysulfides. Herein, we report a facile and green method to the in–situ synthesis of Li2S–Mo nanocomposites at room temperature by mechanochemical reaction of LiH with MoS 2 . The fig–like Li2S–Mo@C nanocomposite with core–shell structure exhibits a low initial activation barrier of 2.51 V, high reversible capacity of 742 mAh g −1 after 70 cycles at 0.2 A g −1 and excellent cycling stability over 500 cycles at 1.0 A g −1 . According to DFT calculation and experimental studies, the excellent electrochemical performance of fig–like Li2S–Mo@C nanocomposite can be attributed to the increased electronic/ionic conductivity, strong adsorption ability and catalytic conversion of LiPSs, resulting from the synergistic effects of Mo nanodots and, carbon shell and their nanostructure. This work provides a new idea for developing large–scale applications of Li2S–based electrodes