Inter‐Metal Interaction of Dual‐Atom Catalysts in Heterogeneous Catalysis

Abstract Dual‐atom catalysts (DACs) have been a new frontier in heterogeneous catalysis due to their unique intrinsic properties. The synergy between dual atoms provides flexible active sites, promising to enhance performance and even catalyze more complex reactions. However, precisely regulating active site structure and uncovering dual‐atom metal interaction remain grand challenges. In this review, we clarify the significance of the inter‐metal interaction of DACs based on the understanding of active center structures. Three diatomic configurations are elaborated, including isolated dual single‐atom, N/O‐bridged dual‐atom, and direct dual‐metal bonding interaction. Subsequently, the up‐to‐date progress in heterogeneous oxidation reactions, hydrogenation/dehydrogenation reactions, electrocatalytic reactions, and photocatalytic reactions are summarized. The structure‐activity relationship between DACs and catalytic performance is then discussed at an atomic level. Finally, the challenges and future directions to engineer the structure of DACs are discussed. This review will offer new prospects for the rational design of efficient DACs toward heterogeneous catalysis.