Building MoSi 2 N 4 /ZrS 2 Heterostructure to Regulate Electron Transport for Enhancing Hydrogen Production Efficiency

) heterojunctions were built. The electronic properties, optical properties, interface properties, carrier transport after illumination, and photocatalytic performance of the heterojunction are investigated. The results indicate that after constructing the heterojunction, light absorption and carrier mobility significantly increased. The electron-hole pairs were effectively separated, and hydrogen production efficiency has shown a marked increase. Furthermore, the corresponding mechanistic explanation was provided. This study provides a theoretical foundation for the further development of efficient two-dimensional heterojunction photocatalysts.