Defect-stabilized and oxygen-coordinated iron single-atom sites facilitate hydrogen peroxide electrosynthesis

Abstract

single-atom sites in the catalyst probably contribute to the intrinsic reactivity for the two-electron transfer process while vacancy defects greatly enhance the electrocatalytic stability. Theoretical calculations further support that the coordinated environment and defective moiety in CNT-D-O-Fe could efficiently optimize the adsorption strength of the *OOH intermediate over the Fe single atomic active sites. This contribution sheds light on the potential of defect-stabilized and oxygen-coordinated single-atom metal sites as a promising avenue for the rational design of highly efficient and selective catalysts towards various electrocatalytic reactions.

Topics & Concepts