Li/Na storage enhancement of MoS2 particles through surface electronic structure adjustment

Commercialization of MoS 2 electrode materials has been severely limited due to low electrical conductivity and significant volume variations during their cycling. Meanwhile, bottom-up modification strategies require precise experimental conditions and control techniques, which further restrict the industrial application of MoS 2 materials. Herein, the changes in the electronic structure of MoS 2 surfaces due to carbon coating and N-doped carbon coating are compared through theoretical calculations. Based on this, a top-down modification strategy is proposed, involving mechanical pulverization and N-doped carbon layer coating of commercial MoS 2 through high-energy ball milling and ultrasound-assisted in situ coating technology, and carbonization. This strategy effectively improves the electronic structure of the surface of MoS 2 particles, enhancing the ion transport kinetics and cycling stability of molybdenum disulfide. Thanks to the elemental and structural advantages, the coated MoS 2 exhibits excellent electrochemical performance, with outstanding specific capacity and cyclic stability (specific capacity of 753.9 mAh g −1 ​at a current density of 500 ​mA ​g −1 after 200 cycles, with a capacity retention percentage of 92.2 ​%) as well as excellent rate performance (specific capacity of 302.9 mAh g −1 after 500 cycles at a current density of 5 ​A ​g −1 ). This study not only establishes a detailed scheme for enhancing the lithium storage performance of MoS 2 but also provides new insights for its industrial research.