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Updated: May 28, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
A first-principles investigation of substrate oxidation effects on the catalytic activity of a Co single-atom
Yifei Rao1,2, Li Sheng1, Yanan Zhou3
1Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei, Anhui 230026, China. whhzhang@ustc.edu.cn.
Abstract:
In this work, the substrate oxidation effects on the catalytic activity of a C2N supported Co single-atom for the oxygen evolution reaction (OER) were theoretically investigated. The 2*OH-covered Co single atom on partially oxidized C2N (2*OH-Co@6O-C2N) achieves the highest OER performance with an overpotential of 0.32 V. Our work provides new considerations for the design of future single-atom electrocatalyst materials.
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