Systematic exploration of N, C configurational effects on the ORR performance of Fe–N doped graphene catalysts based on DFT calculations

Metal single-atom catalysts (MSATs), such as Fe–N coordination doped sp(2)-carbon matrices, have emerged as a promising oxygen reduction reaction (ORR) catalyst to replace their costly platinum (Pt) based counterparts in fuel cells. In this work, we employ density functional theory (DFT) to systemat...

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Detalles Bibliográficos
Autores principales: Liu, Fan, Zhu, Guangqi, Yang, Dongzi, Jia, Dong, Jin, Fengmin, Wang, Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9067023/
https://www.ncbi.nlm.nih.gov/pubmed/35519494
http://dx.doi.org/10.1039/c9ra02822f

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9067023/
https://www.ncbi.nlm.nih.gov/pubmed/35519494
http://dx.doi.org/10.1039/c9ra02822f

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