Hydrogen peroxide (H₂O₂) is widely used as an environmentally friendly oxidant and plays an important role in a range of applications, including chemical synthesis, wastewater treatment, medical disinfection, and papermaking. Compared to the conventional anthraquinone process for the preparation of H₂O₂, the photocatalytic and electrocatalytic production of H₂O₂ has the advantages of simple and controllable operating conditions and non-polluting reaction products, which is one of the most essential ideal means for H₂O₂ production. Among them, single-atom catalysts(SACs) with maximal atom utilization and special unsaturated coordination environments have attracted considerable attention because of their excellent catalytic performance in the photocatalytic and electrocatalytic production of H₂O₂. Subsequently, recent progress in H₂O₂ production based on photocatalytic and electrocatalytic activity is presented in this review. First, the working mechanisms and advantages of SACs for the photocatalytic and electrocatalytic production of H₂O₂ were presented. Second, we combined density functional theory calculations and advanced characterization techniques to introduce SAC systems for H₂O₂ production. Finally, the future directions of SACs for photocatalytic and electrocatalytic H₂O₂ production are discussed.

过氧化氢（H ₂ O ₂ ）作为一种广泛使用的环保氧化剂，在化学合成、废水处理、医疗消毒和造纸等一系列应用中发挥着重要作用。与传统的蒽醌法制备H ₂ O ₂相比，光催化和电催化生产H ₂ O ₂具有操作条件简单可控、反应产物无污染等优点，是最重要的理想手段之一。用于H ₂ O ₂生产。其中，具有最大原子利用率和特殊不饱和配位环境的单原子催化剂（SACs）因其在光催化和电催化生产H 2 O 2 中优异的催化性能而_受到广泛_关注。随后，本文介绍了基于光催化和电催化活性的H ₂ O _{2生产的最新进展。}首先，介绍了SAC光催化和电催化生产H ₂ O _{2的工作机制和优势。}其次，我们结合密度泛函理论计算和先进的表征技术，引入了用于 H ₂ O ₂生产的 SAC 系统。最后，讨论了SACs光催化和电催化H ₂ O ₂生产的未来发展方向。