Microcosmic modulation of the Co–N bonding structure improves the multi-functional electrocatalytic performance

Author:

Deng Wenhui1,Wu Tianjing1ORCID,Wu Yufeng1,Chen Fang1,Bai Yansong1,Zou Xiaoqing1,Jing Mingjun1,Deng Wentao2,Hou Hongshuai2ORCID,Wang Xianyou1ORCID

Affiliation:

1. National Base for International Science & Technology Cooperation, National Local Joint Engineering Laboratory for Key Materials of New Energy Storage Battery, Key Laboratory of Environmentally Friendly Chemistry and Application of Ministry of Education School of Chemistry, Hunan Province Key Laboratory of Electrochemical Energy Storage & Conversion, School of Chemistry Xiangtan University, Xiangtan 411105, China

2. State Key Laboratory of Powder Metallurgy, College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China

Abstract

The coordination environment of Co–Nx models is modulated in systematic theoretical studies. Thereinto, the well-defined Co-phenazine bonding structure (Co–N2) can efficiently reduce the reaction energy barrier for ORR and OER.

Funder

National Natural Science Foundation of China

Distinguished Young Scholar Foundation of Hunan Province

Science and Technology Program of Hunan Province

Publisher

Royal Society of Chemistry (RSC)

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