A systematic theoretical study has been carried out on the molybdenum disulfide involved discharge process from S 8 to Li 2S. However, the intuitive picture of how to enhance the conversion kinetics and the specific origins for the promotion effect are still unclear. From experiment, the sulfur deficiencies are involved in the polysulfide conversion and enhance the conversion kinetics. Understanding the specific working principle of sulfur-deficient MoS 2-x would help to expand the application of defect metal sulfides. The modification factor of “sulfur deficiencies” for metal sulfides is an innovative approach to further suppress the shuttle effect and improve the lithium‑sulfur batteries performance. Recently, sulfur-deficient MoS 2-x was creatively introduced into the cathode material, leading to better electrochemical performance than the perfect MoS 2. Two-dimensional materials metal sulfides are increasingly used in lithium‑sulfur battery cathode materials due to their low lithiation voltage, good conductivity, strong adsorption and catalytic effects of lithium polysulfide. During the charge/discharge cycle, the shuttle effect reduces the Coulombic efficiency and cycle performance, greatly limiting the practical application of lithium‑sulfur batteries. The lithium‑sulfur batteries are becoming the promising next generation large-scale electrical energy storage, due to the high specific energy density and theoretical capacity.
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