Systematic exploration of N,C coordination effects on the ORR performance of Mn–Nx doped graphene catalysts based on DFT calculations
Author:
Affiliation:
1. School of Chemical Engineering and Technology
2. Tianjin University
3. Tianjin 300072
4. China
5. College of Chemistry and Chemical Engineering
6. Chongqing University
7. Chongqing 400044
8. Key Laboratory of Metal Fuel Cell of Sichuan Province
Abstract
Five-coordination Mn–Nx experiences a significant increase in ORR catalytic activity due to its moderate binding ability compared with Mn–N4 and Mn–N3.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP02155H
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