Probing the activity of transition metal M and heteroatom N4 co-doped in vacancy fullerene (M–N4–C64, M = Fe, Co, and Ni) towards the oxygen reduction reaction by density functional theory
Author:
Affiliation:
1. Laboratory of Theoretical and Computational Chemistry
2. Institute of Theoretical Chemistry
3. Jilin University
4. Changchun 130023
5. China
Abstract
In this study, a novel type oxygen reduction reaction (ORR) electrocatalyst is explored using density functional theory (DFT); the catalyst consists of transition metal M and heteroatom N4 co-doped in vacancy fullerene (M–N4–C64, M = Fe, Co, and Ni).
Funder
National Natural Science Foundation of China
Education Department of Jilin Province
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2021/RA/D0RA08652E
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