Synergistic effect of Fe-Ru alloy and Fe-N-C sites on oxygen reduction reaction

In the pursuit of optimizing Fe-N-C catalysts for the oxygen reduction reaction (ORR), the incorporation of alloy nanoparticles has emerged as a prominent strategy. In this work, we effectively synthesized the FeRu-NC catalyst by anchoring Fe-Ru alloy nanoparticles and FeN4 single atom sites onto carbon nanotubes. The FeRu-NC catalyst exhibits significantly enhanced ORR activity and long-term stability, with a high half-wave potential of 0.89 V (vs. RHE) in alkaline conditions, and the half-wave potential remains nearly unchanged after 5000 cycles. The zinc-air battery (ZAB) assembled with FeRu-NC demonstrates a power density of 169.1 mW cm(-2), surpassing that of commercial Pt/C. Density functional theory (DFT) calculations reveal that the synergistic interaction between the Fe-Ru alloy and FeN4 single atoms alters the electronic structure and facilitates charge transfer at the FeN4 sites, thereby modulating the adsorption and desorption of ORR intermediates. This enhancement in catalytic activity for the ORR process underscores the potential of this approach for refining M-N-C catalysts, providing novel insights into their optimization strategies.