Electronic structure modulation of metal based organic catalysts for photocatalytic H2O2 production

Photocatalytic synthesis of hydrogen peroxide (H₂O₂) has emerged as a promising approach because of its simplicity and environmental benefits. However, significant challenges remain obstacles to their advancement, such as the rapid recombination of photogenerated charge carriers and sluggish surface redox reactions on nonmetallic organic catalysts. Metal-based organic catalysts with tunable electronic structures are considered ideal for exploring the mechanisms and structure-performance relationships in H₂O₂ synthesis. This review summarizes the fundamental principles of photocatalytic H₂O₂ synthesis via oxygen reduction and water oxidation reactions. Recent advancements in electronic structure tuning strategies for metal-based organic catalysts are critically examined, focusing on their impact on light absorption range, photogenerated carrier separation, O₂ activation, and the selective generation of H₂O₂. In addition, this review comprehensively evaluates the applications of sacrificial agents in photocatalytic reaction systems and offers insights into the future development of metal-based organic catalysts for H₂O₂ photosynthesis.