Interface-synergistically optimized type-II heterojunction g-C3N4-0.5%Ni/Zn0.7Cd0.3S for highly efficient photocatalytic hydrogen evolution

Owing to the intrinsic limitations of conventional semiconductor photocatalysts, this study proposed a two-component collaborative modification strategy of two components in the heterojunction to optimize their interface interaction, and ultimately achieved a significant improvement in the overall photocatalytic performance. As a result, g-C3N4(CN)-0.5%Ni/Zn0.7Cd0.3S heterojunction photocatalysts were successfully prepared by solvothermal method. The experimental results and density functional theory (DFT) calculations confirm that the multi-component coordinated control strategy can significantly expand the visible light response range, significantly increase the specific surface area, and improve the separation efficiency of photogenerated carriers by accurately optimizing the electronic structure and interface properties of the photocatalyst. Under visible-light irradiation, the CN-0.5%Ni/Zn0.7Cd0.3S achieved a photocatalytic hydrogen evolution rate of 5681 ± 142 μmol·g−1·h−1, which is 3.59 times, 5.00 times, and 4.32 times higher than those of CN/ZnS, ZnS, and CN, respectively, while exhibiting excellent cycling stability. Moreover, the composite catalyst CN-0.5%Ni/Zn0.7Cd0.3S maintains high photocatalytic hydrogen evolution activity in various natural water matrices. This work overcomes the inherent limitations of single modification strategies, providing both experimental evidence and theoretical insights for the performance optimization of conventional photocatalysts.