Rational Design of Atomically Dispersed Catalysts for the Electrochemical Oxygen Evolution Reaction

Atomically dispersed catalysts (ADCs), including single-atom catalysts (SACs), dual-atom catalysts (DACs), and metal cluster catalysts, have revolutionized the design of oxygen evolution reaction (OER) electrocatalysts by achieving precise atomic-level control over active sites. This review summarizes the structural evolution, interfacial electronic coupling mechanisms, and synergistic effects that enhance OER efficiency. SACs maximize atomic utilization and offer tunable coordination environments; DACs introduce bimetallic electronic synergy to optimize intermediate adsorption, and clusters provide multicenter cooperative catalysis with molecular-like delocalization. Strategies such as dynamic coordination reconstruction, heterostructure engineering, and interfacial electric field modulation are discussed for improving intrinsic activity and stability. Insights from in situ characterizations and theoretical simulations elucidate the relationships between structure and performance, providing design guidance for next-generation catalysts. This work highlights the potential of atomically engineered systems to achieve scalable, cost-effective, and high-efficiency OER catalysis for sustainable energy conversion.