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

Ning Zhang, Yuetong Li, Botao Zhang, Shengyu Gao, Yongxin Huang, Li Li, Feng Wu, Renjie Chen

2025Transactions of Materials Research5 citationsDOIOpen Access PDF

Abstract

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.

Topics & Concepts

Materials scienceChemical physicsNanotechnologyEngineering physicsPhysicsAdvancements in Battery MaterialsMXene and MAX Phase MaterialsAdvanced Battery Materials and Technologies
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