Overcoming rapid charge carrier recombination and restricted visible-light harvesting in single-component  photocatalysts remains a formidable challenge for efficient solar-to-hydrogen conversion. In this work, an in  situ self-assembly strategy is employed to construct a high-performance heterojunction by integrating zinc in dium sulfide (ZnIn₂S₄) nanoflowers with non-Ti₃C₂-type titanium carbonitride (Ti₃CN) MXene nanosheets. The  optimized 3 wt% Ti₃CN/ZnIn₂S₄ composite exhibits a remarkable visible-light-driven hydrogen evolution rate of  603.3 μmol g^-1·h^-1, which represents a 2.4-fold enhancement over pristine ZnIn₂S₄ while maintaining excep tional cyclic stability. Ultra-violet photoelectron spectroscopy analysis and Density functional theory calculations  reveal that the higher work function of Ti₃CN (4.58 eV) compared to ZnIn₂S₄ (4.07 eV) drives upward band  bending at the interface, thereby establishing a robust built-in electric field. This tailored architecture facilitates  ultrafast, directional electron injection from ZnIn₂S₄ to the Ti₃CN matrix, effectively suppressing charge  recombination. Furthermore, the Ti₃CN component serves as a superior electron sink where the calculated Gibbs  free energy of hydrogen adsorption (ΔG_H*) is optimized to 0.21 eV, leading to a significantly reduced reaction  overpotential. This study provides a robust strategy for the rational design of MXene-based heterojunctions and  offers a solid foundation for green hydrogen production in large-scale renewable systems.

文章链接：https://doi.org/10.1016/j.ijhydene.2026.155902

附件：10.1016j.ijhydene.2026.155902.pdf