Effect of coordination surroundings of isolated metal sites on electrocatalytic performances

Due to possessing outstanding catalytic performance and drastically enriching our cognization of reaction mechanisms, single-atom catalysts (SACs) are burgeoning as a novel frontier research field in electrocatalysis. The catalytic performances of SACs are significantly influenced by the electronic and geometric structures of isolated metal sites. In this Review, we focus on discussing the effect of the coordinated surroundings of isolated metal sites on electrochemical performances. How to disclose the detailed electron structure and coordinated environment of isolated metal sites is provided. Several important electrochemical applications (i.e. hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR), CO2 reduction reaction (CO2RR), and nitrogen reduction reaction (NRR)) and the structure-function relationships are documented. In addition, the technical challenges and prospects for the progress of high-performance SACs are suggested.

Automated summary

Single-atom catalysts (SACs) are emerging as a novel frontier research field in electrocatalysis due to their outstanding catalytic performance and enrichment of our understanding of reaction mechanisms. The catalytic performances of SACs are significantly influenced by the electronic and geometric structures of isolated metal sites. This review focuses on the effect of coordinated surroundings of isolated metal sites on electrochemical performances, providing methods to reveal the detailed electron structure and coordinated environment of isolated metal sites while documenting important electrochemical applications and structure-function relationships. Additionally, technical challenges and prospects for the progress of high-performance SACs are suggested.