Oxygen reduction reaction mechanism on P, N co-doped graphene: a density functional theory study

Author:

Liang Zhao1234ORCID,Liu Chao12345ORCID,Chen Mingwei1234,Qi Xiaopeng1234,U. Pramod Kumar1234ORCID,Peera S. Gouse6789ORCID,Liu Juan101112134,He Julong514154,Liang Tongxiang1234

Affiliation:

1. School of Materials Science and Engineering

2. Jiangxi University of Science and Technology

3. Ganzhou 341000

4. China

5. State Key Laboratory of Metastable Materials Science and Technology

6. Department of Environmental Science and Engineering

7. Keimyung University

8. Daegu 42601

9. Republic of South Korea

10. Key Laboratory of Advanced Packaging Materials and Technology of Hunan Province

11. School of Packaging and Materials Engineering

12. Hunan University of Technology

13. Zhuzhou 412007

14. Yanshan University

15. Qinhuangdao 066004

Abstract

DFT calculations confirmed that the P–N coupled site changed the ORR pathway and improved the catalytic activity compared with single doping.

Funder

State Key Laboratory of Metastable Materials Science and Technology

Education Department of Jiangxi Province

National Natural Science Foundation of China

Jiangxi University of Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

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