Atomically dispersed dual-metal with two-N-bridged FeCu-N6 sites for efficient oxygen reduction.

• Atomically dispersed Fe and Cu sites with two-N-bridged decorated N-doped porous carbon is synthesized. • The fine structure of Fe 1 Cu 1 -NC is characterized by AC-HAADF-STEM and XAFS. • The Fe 1 Cu 1 -NC catalyst exhibits a comparable ORR activity to Pt/C with excellent methanol tolerance and stability. • DFT calculation indicates that the synergistic effect between Fe and Cu is preferable for modulating ORR activity. The sluggish reaction kinetics of oxygen reduction reactions (ORR), combined with a long-standing dependence on expensive and unstable platinum-based catalysts, has significantly hindered the progress of sustainable energy solutions. Here, we have developed an atomically dispersed bimetallic FeCu-loaded N-doped porous carbon (Fe 1 Cu 1 -NC) catalyst for remarkable ORR efficiency. X-ray absorption fine structure (XAFS) analysis accurately determines that the coordination state of atomically dispersed Fe-Cu sites is a two-N-bridged with N 6 ligand. Fe 1 Cu 1 -NC has demonstrated superior ORR performance in alkaline environments when compared to commercial Pt/C catalysts. Notably, Fe 1 Cu 1 -NC exhibits a higher power density and specific capacity than Pt/C in zinc-air batteries. Density functional theory (DFT) calculations further confirm that the improved performance is due to the combined action of Cu and Fe single atoms, which results in a negative shift of the d -band center energy of Fe and facilitates activation of ORR intermediates. Atomically dispersed dual-metal with two-N-bridged FeCu-N 6 sites can lead to a negative shift in the d -band center of Fe, resulting in a weakening of the adsorption strength of intermediate species and enhancing the ORR performance in comparison to Pt/C. [Display omitted] [ABSTRACT FROM AUTHOR]