The construction of heterojunctions effectively suppresses the undesired recombination of photogenerated charge carriers. This work presents the rational design and preparation of a novel Cd0.9Zn0.1S/CoB (CZS/CoB) Schottky heterojunction tailored for photothermal-assisted photocatalytic hydrogen evolution with the aid of the predictions of density functional theory (DFT). Under visible light irradiation, the hydrogen evolution rate of CZS/CoB reaches 2.56 times that of pure CZS, due to the formed Schottky heterojunction and photothermal properties, effectively inhibiting electron-hole recombination and boosting the photocatalytic reaction. Notably, with the help of the excellent magnetic properties of CoB, the as-synthesized CZS/CoB exhibits excellent magnetic separation property, which is crucial for practical application. The charge transfer pathways in the Schottky heterojunction were confirmed by experimental results and verified by DFT calculation results. This study presents a feasible strategy for the design and preparation of magnetic recyclable Schottky Heterojunction photocatalyst for photocatalytic hydrogen evolution.

中文翻译：

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光热增强磁性Cd0.9Zn0.1S/CoB肖特基异质结用于光催化析氢


异质结的构造有效地抑制了光生电荷载流子的不需要的复合。这项工作借助密度泛函理论（DFT）的预测，合理设计和制备了一种新型Cd0.9Zn0.1S/CoB（CZS/CoB）肖特基异质结，用于光热辅助光催化析氢。在可见光照射下，由于形成的肖特基异质结和光热特性，CZS/CoB的析氢速率达到纯CZS的2.56倍，有效抑制电子空穴复合，促进光催化反应。值得注意的是，借助CoB优异的磁性能，合成的CZS/CoB表现出优异的磁分离性能，这对于实际应用至关重要。肖特基异质结中的电荷转移路径得到了实验结果的证实，并得到了DFT计算结果的验证。本研究提出了设计和制备用于光催化析氢的磁性可回收肖特基异质结光催化剂的可行策略。