Probing the activity of transition metal M and heteroatom N(4) co-doped in vacancy fullerene (M–N(4)–C(64), M = Fe, Co, and Ni) towards the oxygen reduction reaction by density functional theory

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 N(4) co-doped in vacancy fullerene (M–N(4)–C(64), M = Fe, Co, and Ni). Mulliken charge analysis shows that the met...

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Detalles Bibliográficos
Autores principales: Yang, Siwei, Zhao, Chaoyu, Qu, Ruxin, Cheng, Yaxuan, Liu, Huiling, Huang, Xuri
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8694025/
https://www.ncbi.nlm.nih.gov/pubmed/35424237
http://dx.doi.org/10.1039/d0ra08652e

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