Heteroatom‐Modulated Asymmetric Cobalt Single‐Atom Catalysts on MOF‐Derived Carbon Enabling Durable Zinc‐Iodine Batteries

Abstract The rational design of catalytic host materials with optimized electronic structures and confined architectures is crucial for addressing the shuttle effect and sluggish kinetics in aqueous zinc‐iodine batteries. In this study, an asymmetric cobalt single‐atom catalyst is developed by anchoring Co−N 3 P 1 sites on a nitrogen‐phosphorus co‐doped carbon matrix (Co−N−PC) derived from metal–organic frameworks (MOFs). The coordination engineering of Co centers via phosphorus incorporation disrupts the symmetry of conventional Co−N 4 configurations, enhancing charge redistribution and reducing the energy barrier for iodine dissociation as confirmed by density functional theory calculations. Systematic…

• NN
  National Natural Science Foundation of China

  Awards: 62174085, 52371240
• NS
  Natural Science Foundation of Jiangsu Province

  Awards: BK20240034, BK20230556