Dual‐Atom Catalysts for Synergistic Adsorption and Adjustment of Reaction Kinetics of Polysulfides: Design Strategies, Characterizations and Mechanisms

ABSTRACT Lithium‐sulfur (Li‐S) batteries have been considered among the most promising next‐generation battery systems owing to their exceptionally high theoretical energy density, low cost, and environmental friendliness. However, their development continues to be hindered by the dissolution and sluggish conversion kinetics of the intermediate polysulfides. Efficient catalysts have shown significant potential in anchoring and catalytically converting polysulfides. Among them, dual‐atom catalysts (DACs) are gaining increasing attention due to their high atomic utilization efficiency and structurally well‐defined active sites. Through the synergistic interaction between neighboring metal atoms, DACs demonstrate enhanced capabilities for the coordinated adsorption and catalytic conversion of polysulfides, which helps minimize the shuttle effect and improve reaction kinetics. This review offers a comprehensive overview of recent advances in DACs for Li‐S batteries, including the controlled synthesis, atomic‐scale structural characterization, and detailed mechanistic insights into both homonuclear and heteronuclear DACs. It also highlights the promising role of combined first‐principles calculations and machine learning in guiding the rational design and rapid screening of high‐performance DACs. Finally, key challenges and future research directions are outlined, emphasizing the pathway toward computationally‐guided design and practical implementation of DACs in advanced energy storage systems.