Atomically Dispersed Catalytic Sites for the Photoelectrochemical Water Splitting

The development of green hydrogen generating technology is currently of the utmost importance. The photoelectrochemical water splitting (PECWS) is one of the primary methods for green hydrogen generation. Recently, individuals have been investigating atomically dispersed sites anchored on semiconductor supports for the PECWS. The single‐atom catalysts (SACs) offer very accurate catalytic sites which improve the reaction kinetics for both hydrogen and oxygen evolution reactions. This review emphasizes current advancements in SACs‐based catalysts, notably addressing their distinctive electronic structure and enhanced charge separation. The review also discusses the sophisticated characterization methods for the analysis of single‐atom‐based catalysts, coupled with the computational details elucidating the selectivity and activity of these catalysts for PECWS. Moreover, challenges associated with the SACs include active site aggregation and limited stability under extreme conditions. Ultimately, the analysis delineates the future outlook on the design of SAC‐based photoelectrodes. This analysis provides significant insights into the design and production of the SACs for the PECWS.