H2O2 plays an irreplaceable role in many aspects of human society, such as paper bleaching, medical disinfection, wastewater treatment, organic synthesis, hydrometallurgy and the electronic industry. However, the unsustainability of the current industrial production process of traditional anthraquinone has a serious conflict with the green sustainable development. The photo/electrocatalytic H2O2 production from renewable energy has the advantages of being more economical, low‐carbon and green, and in line with the requirements of energy economy. These catalytic methods of green H2O2 production have played a demonstrative role in the development of many small molecules, contributing to a fundamental understanding of general catalysis and providing a scientific perspective for future new energy cycles. In this review, the authors aim to integrate the reaction process and mechanism of photocatalytic and electrocatalytic H2O2 production, summarize the development and application of photocatalytic and electrocatalytic H2O2 production in recent years, and assess the modern technologies promoted in the process of H2O2 production research, including the development of flux production equipment and reaction coproduction, etc. This review intends to provide a clear logic profile and new directions for the development of H2O2 production, and calls for more researchers to provide more insights into the development of this field.