Synergistic Mechanism of Carbon‐Based Dual‐Metal‐Atom Catalysts: Breakthroughs in Atomic Precision Regulation and Enhanced Electrocatalytic Performance

Dual-metal-atom catalysts (DMACs), evolving from single-atom architectures, overcome constraints of linear scaling relationships in multistep electrocatalytic reactions through synergistic interactions within precisely configured bimetallic pairs. These systems enable fine-tuned modulation of reaction intermediate adsorption energetics via d-orbital coupling and intermetallic electron hybridization, while maintaining high metal-loading active site densities. Flexible coordination microenvironments further optimize orbital interactions, driving exceptional activity/selectivity in electrocatalytic carbon dioxide reduction and biomass valorization. Classification based on metal identity, atomic spacing, and ligand coordination is discussed alongside advanced syntheses (atomic layer deposition, metal-organic framework-pyrolytic confinement, vacancy-trapping). Active site characterization leverages aberration-corrected microscopy, operando spectroscopy, and synchrotron techniques. DMACs demonstrate superior performance in reduction-oxidation (redox) reaction electrocatalysis, critical for sustainable energy conversion and environmental remediation. Despite challenges in atomic-precision synthesis and mechanistic elucidation, their unique dual-site synergism positions DMACs as a transformative catalytic platform for global energy transitions.