Coordination Regulation of Single-Atom Catalysts toward Enhanced Photocatalytic Ammonia Synthesis

Abstract

Photocatalytic ammonia synthesis is a sustainable pathway to substitute the Haber-Bosch reaction where high energy consumption exists, and single-atom catalysts (SACs) are pivotal materials in this field rely on their maximized atom utilization rate and tunable local electronic structure. This review systematically summarizes recent advances in single-atom regulation for enhanced photocatalytic ammonia synthesis. First, SACs are categorized by atomic type, elucidating distinct roles of different single-atom loadings in modulating catalytic performance. Second, precise active-site regulation strategies are delineated through a tripartite framework: coordination environment engineering, spatial site positioning, and support interface engineering. Subsequently, the breakthrough progress in the photocatalytic ammonia synthesis efficiency of SACs is critically examined, focusing on structure-property correlations. Finally, we discuss the pivotal role of in-situ characterization techniques (e.g., FTIR, Raman, XPS, XAFS) in unveiling reaction mechanisms and dynamic structural evolution. This work offers foundational theoretical guidance for rational design paradigms of high-efficiency SACs photocatalysts applied in regulated photocatalytic ammonia synthesis.