Advances and Regulation Strategies of the Active Moiety in Dual‐Atom Site Catalysts for Efficient Electrocatalysis

Abstract Dual‐atom site catalysts (DACs) have emerged as a new frontier in the heterogeneous catalysis field for electrochemical energy conversion systems. In this review, the superiority of DACs over single‐atom site catalysts is fully discussed. The origin of synergistic effects such as optimized d‐band structure, tailored spin state, and tuned charge transfer are pointed out. The merits in geometric and electronic structure render the active moiety versatile binding behavior toward adsorbed intermediate and beneficial synergistic effects to break the scaling relationships. The approaches to engineer the active moiety of DACs through modulating the central atoms, tuning the coordination environment, and engineering the metal‐support interaction are summarized. Finally, the current challenges and future research perspectives of DACs for efficient electrocatalysis are outlined.