Proximity defect inductive effect of atomic Ni-N3 sites by Te atoms doping for efficient oxygen reduction and hydrogen evolution

Abstract

The development of single atom catalysts (SACs) with asymmetric active sites by defect regulation provides an encourage potential for oxygen reduction reaction (ORR) and hydrogen evolution reaction (HER), but highly challenging. Herein, N-doped carbon (N-C) anchored atomically dispersed Ni-N₃ site with proximity defects (Ni-N₃D) induced by Te atoms doping is reported. Benefitting from the inductive effect of proximity defect, the Ni-N₃D/Te-N-C catalyst performs excellent ORR and HER performance in alkaline and acid condition. Both in situ characterization and theoretical calculation reveal that the existence of proximity defect effect is conducive to lower rate-determining-step energy barrier of ORR and HER, thus accelerating the multielectron reaction kinetics. This work paves a novel strategy for constructing high-activity bifunctional SACs by defect engineering for development of sustainable energy.