Advances in Atomically Dispersed Catalysts for Water Splitting

Abstract Currently, atomically dispersed catalysts (ADCs), including single‐atom catalysts (SACs), dual‐atom catalysts (DACs), and triple‐atom catalysts (TACs), have become the hot topic in the heterogeneous catalysis field since they have exceptional atomic efficiency and catalytic performance in various reactions. In this review, recent advances in ADCs for overall water splitting are summarized, including SACs, DACs, and TACs. First, the mechanisms of overall water splitting including HER and OER reactions in electrocatalysis, photocatalysis, and thermocatalysis are presented. Second, recent advances in water splitting (including HER and OER) on ADCs with different supports in electrocatalysis, photocatalysis, and thermocatalysis are systematically reviewed. Third, new novel catalysts are proposed to design for water splitting, including tandem catalysts, frustrated Lewis pairs (FLP), SAC+FLP, and so on. Finally, the prospective and a summary of different ADCs for water splitting as well as the challenges and opportunities are outlined, which provide insights into the future development of high‐performance ADCs for clean and sustainable energy production.