Synergistic Piezo–Thermal Coupling for Efficient Hydrogen Evolution in S‐Scheme MoS 2 @Bi 2 Te 3 Heterojunction

ABSTRACT An S‐scheme heterojunction was constructed by integrating few‐layered molybdenum disulfide (MoS 2 ) nanosheets onto 2D bismuth telluride (Bi 2 Te 3 ) nanoplates, forming an effective piezo‐thermocatalytic system. The resulting MoS 2 @Bi 2 Te 3 heterostructure exhibited a remarkable hydrogen evolution reaction (HER) rate of 1085 µmol·g −1 h −1 , representing a 170% enhancement over pristine MoS 2 and a 300% improvement over pristine Bi 2 Te 3 . The superior catalytic performance can be attributed to the formation of the S‐scheme heterojunction and the resulting interfacial electric field, which provides spatially separated and energetically favorable oxidation and reduction sites. This configuration significantly suppresses charge carrier recombination while maintaining a strong redox driving force. Theoretical calculations further reveal that localized heat transfer, induced by cavitation microjets, generates a substantial temperature gradient within the Bi 2 Te 3 component. This thermal effect, in conjunction with the piezoelectric response of MoS 2 , leads to an enhanced piezopotential through the synergistic interaction between thermoelectric and piezoelectric effects. This work introduces an efficient and innovative approach to enhancing hydrogen evolution performance via piezo‐thermocatalysis. It not only demonstrates the potential of S‐scheme heterostructures in energy conversion but also offers valuable insights into the coupled mechanisms underlying piezo‐thermo‐driven catalytic processes.