Emerging Metal–Organic Framework-Based Electrocatalysts and Photocatalysts for Efficient Hydrogen Peroxide Production

Hydrogen peroxide (H2O2) is widely used as a green oxidant and renewable energy carrier in environmental remediation and other fields. Photocatalytic and electrocatalytic synthesis of H2O2 offers a promising route for on-demand and in situ production, while the pursuit of efficient and stable catalysts has spurred exploration of metal–organic frameworks (MOFs), whose tunable structures and multifunctionality meet the requirements for efficient H2O2 generation. This work provides a comprehensive analysis of the fundamental mechanisms underlying photocatalytic and electrocatalytic H2O2 production. It systematically reviews recent advancements in MOF structural optimization for H2O2 synthesis, emphasizing strategies such as connector functionalization, interface engineering, defect engineering, and metal loading, as well as the influence of the chemical environment on reaction pathways and catalytic behavior. Furthermore, particular attention is given to the recent advances in MOF-based materials for in situ Fenton systems, in which photocatalytic and electrocatalytic H2O2 generation is applied to the degradation of organic pollutants.