Abstract
Within the theoretical framework of computational prediction, this study introduces a novel tetrapodal Cd0.9Zn0.1S/NiB (CZS/NiB) Schottky heterojunction material, which demonstrates exceptional photothermal effects and remarkable photocatalytic properties. Notably, under visible light irradiation for 3 h, the photocatalytic hydrogen evolution activity of CZS/NiB-3 % surpasses that of pure CZS by a factor of 10.52. This outstanding photocatalytic hydrogen production performance stems from the successful construction of the CZS/NiB-3 % Schottky heterojunction with promoted the separation and transfer of photogenerated charge carriers and excellent photothermal effect. Additionally, the synthesized CZS/NiB exhibits high photostability and cycling stability. The favorable photothermal effect of the synthesized photocatalyst was experimentally validated through infrared thermography technology. Through in-depth computational investigations using density functional theory, the pathways of charge transfer in the Schottky heterojunction are validated. This study provides a feasible strategy for research on photocatalytic water splitting for hydrogen evolution.
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