Rational Dual‐Atom Design to Boost Oxygen Reduction Reaction on Iron‐Based Electrocatalysts

Abstract The oxygen reduction reaction (ORR) is critical for energy conversion technologies like fuel cells and metal–air batteries. However, advancing efficient and stable ORR catalysts remains a significant challenge. Iron‐based single‐atom catalysts (Fe SACs) have emerged as promising alternatives to precious metals. However, their catalytic performance and stability remain constrained. Introducing a second metal (M) to construct Fe─M dual‐atom catalysts (Fe─M DACs) is an effective strategy to enhance the performance of Fe SACs. This review provides a comprehensive overview of the recent advancements in Fe‐based DACs for ORR. It begins by examining the structural advantages of Fe─M DACs from the perspectives of electronic structure and reaction pathways. Next, the precise synthetic strategies for DACs are discussed, and the structure–performance relationships are explored, highlighting the role of the second metal in improving catalytic activity and stability. The review also covers in situ characterization techniques for real‐time observation of catalytic dynamics and reaction intermediates. Finally, future directions for Fe─M DACs are proposed, emphasizing the integration of advanced experimental strategies with theoretical simulations as well as artificial intelligence/machine learning to design highly active and stable ORR catalysts, aiming to expand the application of Fe─M DACs in energy conversion and storage technologies.