Mechanochemical engineering and supramolecular reconstruction of MoS₂ nanosheets with C₆₀-γCD complexes for enhanced photocatalytic and piezoelectric performances

Conventional exfoliation methods for bulk MoS₂, such as liquid phase exfoliation and ball milling, involve complex, energy-intensive steps, making it challenging to develop efficient catalytic systems due to the cumbersome processes and low yields. In this study, we present a novel, solvent-free, one-step mechanochemical process for a three-component heterostructure of MoS₂, cyclodextrin (γCD), and fullerene (C₆₀) for catalytic hydrogen production. Upon grinding with an agate and mortar, the in-situ formation of a supramolecular complex of γCD and C₆₀ synergistically induces lever-based fragmentation of MoS₂, significantly increasing the exposure of active edge sites and enhancing interactions within the MoS₂-C₆₀-γCD heterostructure. This simple method greatly improves water dispersibility and maximizes the catalytic activity of the MoS₂, reinforcing its photocatalytic and piezoelectric performance in hydrogen production through supramolecular interactions with the assembled C₆₀-γCD nanocomplex. The interfacial and electrochemical synergistic effects based on supramolecular design lead to a simple and effective fabrication process with robust photocatalytic performance, demonstrating the practicality of mechanochemical techniques for high-performance MoS₂ heterostructure catalysis systems.