▎ 摘　　要

Single-atom catalysts have demonstrated their superiorities over other forms of catalysts for various reactions. Herein, we successfully implant Fe-isolated single atoms into N, S-co-doped defective graphene architecture (Fe-SAs/NSDG) as a highly efficient catalyst for N2 reduction. X-ray photoelectron spectra, X-ray absorption fine structure characterizations and density functional theory calculation revealed that Fe atoms are anchored to the carrier via the Fe-N3S coordination configuration. The density functional theory calculations identify that Fe-N3S as the active site can promote nitrogen reduction reaction (NRR). It is worth noting that the introduction of S can greatly increase catalyst NRR activity. The obtained catalyst exhibits a strong activity for NRR with the highest ammonia yield rate of 28.89 mg/h.mg/cat at-0.4 V and the highest Faradaic efficiency of 23.7% at -0.1 V, respectively. These results demonstrate that the Fe-SAs/NSDG can be a promising cathode material for NRR. (c) 2022 Elsevier Ltd. All rights reserved.