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Highlights The review explores single atom catalysts (SACs) for photocatalytic H2O2 production, highlighting their unique structure, properties, and advantages over traditional catalysts. It emphasizes the importance of metal atom types, host material selection, and coordination environment in SACs design. The article explains how SACs enhance photocatalytic H2O2 production by improving light absorption, charge generation, migration, and lowering energy barriers for reactant adsorption and activation. The review acknowledges challenges and future research directions in SACs for H2O2 photosynthesis.