Simultaneously Enhancing Catalytic Performance and Increasing Density of Bifunctional CuN₃ Active Sites in Dopant-Free 2D C₃N₃Cu for Oxygen Reduction/Evolution Reactions.

ABSTRACT: Atomically dispersed M-N-C has been considered an effective catalyst for various electrochemical reactions such as oxygen reduction reaction (ORR) and oxygen evolution reaction (OER), which faces the challenge of increasing metal load while simultaneously maintaining catalytic performance. Herein, we put forward a strategy for boosting catalytic performances of a single Cu atom coordinated with three N atoms (CuN₃) for both ORR and OER by increasing the density of connected CuN₃ moieties. Our calculations first show that a single CuN₃ moiety exhibiting no catalytic performance for ORR and OER can be activated by increasing the density of metal centers, which weakens the binding affinity to *OH due to the lowered d-band center of the metal atoms. These findi

SUBMITTER: Tang J 

PROVIDER: S-EPMC9202037 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature