Structural Design of Single‐Atom Catalysts for Enhancing Petrochemical Catalytic Reaction Process

Abstract Petroleum, as the “lifeblood” of industrial development, is the important energy source and raw material. The selective transformation of petroleum into high‐end chemicals is of great significance, but still exists enormous challenges. Single‐atom catalysts (SACs) with 100% atom utilization and homogeneous active sites, promise a broad application in petrochemical processes. Herein, the research systematically summarizes the recent research progress of SACs in petrochemical catalytic reaction, proposes the role of structural design of SACs in enhancing catalytic performance, elucidates the catalytic reaction mechanisms of SACs in the conversion of petrochemical processes, and reveals the high activity origins of SACs at the atomic scale. Finally, the key challenges are summarized and an outlook on the design, identification of active sites, and the appropriate application of artificial intelligence technology is provided for achieving scale‐up application of SACs in petrochemical process.