A robust asymmetric diatomic electrocatalyst for oxygen reduction reaction in both acidic and alkaline media

Herein, an asymmetric diatomic site oxygen reduction reaction (ORR) electrocatalyst with atomically dispersed Fe and Cu species co-anchored on porous nitrogen-doped polyhedra carbon was successfully prepared through a facile cooperation of post-adsorption and two-step pyrolysis method. Density functional theory (DFT) calculations reveal that the asymmetric FeCu dual atomic site experiences a symmetry destruction of electron transfer due to the existing Cu-N₄ sites and thus results in the electron redistribution in Fe_SACu_SA/NC, contributing significantly to the optimization of intermediates adsorption and acceleration of kinetics during ORR process. Attributed to the structural advantages of Fe_SA-N₄&Cu_SA-N₄ sites and highly porous carbon matrix, the Fe_SACu_SA/NC catalyst exhibits excellent electrocatalytic ORR performance with half-wave potentials (E_1/2) of 0.86 and 0.88 V versus reversible hydrogen electrode in 0.1 M HClO₄ and 0.1 M KOH solutions as well as high durability. Moreover, Fe_SACu_SA/NC-based H₂/O₂ fuel cell and zinc-air battery present superior performance with high peak power density.