Molecular modulation strategies for two-dimensional transition metal dichalcogenide-based high-performance electrodes for metal-ion batteries

In the past few decades, great efforts have been made to develop advanced transition metal dichalcogenide (TMD) materials as metal-ion battery electrodes. However, due to existing conversion reactions, they still suffer from structural aggregation and restacking, unsatisfactory cycling reversibility, and limited ion storage dynamics during electrochemical cycling. To address these issues, extensive research has focused on molecular modulation strategies to optimize the physical and chemical properties of TMDs, including phase engineering, defect engineering, interlayer spacing expansion, heteroatom doping, alloy engineering, and bond modulation. A timely summary of these strategies can help deepen the understanding of their basic mechanisms and serve as a reference for future research. This review provides a comprehensive summary of recent advances in molecular modulation strategies for TMDs. A series of challenges and opportunities in the research field are also outlined. The basic mechanisms of different modulation strategies and their specific influences on the electrochemical performance of TMDs are highlighted. Through the purposeful modulation of specific parts or regions of TMD molecules, molecular modulation strategies aim to realize the effective modulation of TMDs' properties from an 'internal' perspective.