This comprehensive review provides a deep exploration of the unique roles of single atom catalysts (SACs) in photocatalytic hydrogen peroxide (H2O2) production. SACs offer multiple benefits over traditional catalysts such as improved efficiency, selectivity, and flexibility due to their distinct electronic structure and unique properties. The review discusses the critical elements in the design of SACs, including the choice of metal atom, host material, and coordination environment, and how these elements impact the catalytic activity. The role of single atoms in photocatalytic H2O2 production is also analysed, focusing on enhancing light absorption and charge generation, improving the migration and separation of charge carriers, and lowering the energy barrier of adsorption and activation of reactants. Despite these advantages, several challenges, including H2O2 decomposition, stability of SACs, unclear mechanism, and low selectivity, need to be overcome. Looking towards the future, the review suggests promising research directions such as direct utilization of H2O2, high-throughput synthesis and screening, the creation of dual active sites, and employing density functional theory for investigating the mechanisms of SACs in H2O2 photosynthesis. This review provides valuable insights into the potential of single atom catalysts for advancing the field of photocatalytic H2O2 production.