The Role of NiSe₂ Nanosheets in Boosting the Photocatalytic H₂ Generation of Ultrafine ZnCdS Nanoparticles Under Visible Light

Abstract The exploration for a suitable cocatalyst to substitute noble metals is crucial to establishing an efficient photocatalytic system. In this study, a facile solution‐based approach is employed to integrate sheetlike NiSe 2 nanostructure as a cocatalyst onto ultrafine ZnCdS nanoparticles, with the objective of enhancing photocatalytic H 2 production. Notably, the optimized 3% NiSe 2 /ZnCdS photocatalyst exhibits a remarkable enhancement in photocatalytic H 2 evolution rate, achieving 7779 µmol g −1 h −1 , representing an 8.3‐fold increase compared to ZnCdS. Furthermore, the NiSe 2 /ZnCdS demonstrate exceptional stability during cycling tests. The impressive photocatalytic performance can be ascribed to the presence of NiSe 2 nanosheets, which facilitate photoinduced electron transfer and offer active sites for the H 2 evolution reaction. In addition, a comprehensive analysis of experimental data and density functional theory (DFT) calculations elucidates a plausible mechanism for the enhanced photocatalytic performance. This study provides valuable insights into the development of noble‐metal‐free ZnCdS‐based photocatalysts, a promising candidate for efficient solar‐to‐H 2 energy conversion due to their growing prominence in the field.