Breakthroughs in Photocatalytic Hydrogen Peroxide Production Through Advanced Mechanisms and Catalytic Systems

Abstract With the rapid development of clean energy, photocatalytic hydrogen peroxide (H₂O₂) production has emerged as a transformative strategy to decarbonize the chemical industry, offering a sustainable alternative to the fossil fuel‐dependent anthraquinone process. Nevertheless, in the pathway of photocatalytic H₂O₂ production, there are still a series of negative issues, such as the insufficient supply of protons, difficulty in separating the electron–hole pair, and low utilization of spatial reactive active sites. Therefore, there is an urgent need for a systematic review of the latest advancements in the photocatalytic H₂O₂ production to further enhance the development of photocatalytic H₂O₂ production. In this review, three photocatalytic H₂O₂ production systems are comprehensively discussed, such as the oxygen reduction reaction (ORR) system with and without sacrificial agents, the water oxidation reaction (WOR) system accompanied by hydrogen evolution reaction, and the dual system coupling ORR with WOR. By bridging molecular‐scale mechanistic insights with system‐level innovation, this review not only explains fundamental mechanisms but also bridges lab‐scale breakthroughs to industrial viability, positioning photocatalytic H₂O₂ production as a cornerstone for green chemistry and renewable energy storage, with implications for environmental remediation and carbon‐neutral synthesis.