Transition metals anchored on nitrogen-doped graphdiyne for an efficient oxygen reduction reaction: a DFT study

Author:

Wang Ning1ORCID,Gan Siyu1,Mao Yunfeng2,Xiao Junping3,Xu Chunming45,Zhou Tianhang45ORCID

Affiliation:

1. School of Science, Key Laboratory of High-Performance Scientific Computation, Xihua University, Chengdu 610039, China

2. School of Energy and Power Engineering, University of Shanghai for Science and Technology, Shanghai, 200093, China

3. College of Physics and Electronic Information, Baicheng Normal University, Baicheng, Jilin 137000, China

4. College of Carbon Neutrality Future Technology, China University of Petroleum (Beijing), Beijing 102249, China

5. State Key Laboratory of Heavy Oil Processing, China University of Petroleum (Beijing), Beijing 102249, China

Abstract

Our work sheds light on the relationship between nitrogen-doped GDY and transition metal sites, thus contributing to the development of more efficient catalysts for the ORR.

Funder

National Natural Science Foundation of China

China University of Petroleum, Beijing

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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