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Effect of nitrogen-doping configuration in graphene on the oxygen reduction reaction

In this study, we investigate the oxygen reduction reaction (ORR) reactivity of nitrogen-doped graphene by using density functional theory (DFT), a computational quantum mechanical technique. Four doping configurations and five models were comprehensively studied: quaternary nitrogen (NQ), pyrrolic...

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Detalles Bibliográficos
Autores principales: Tai, Shih-Hsuan, Chang, Bor Kae
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9060867/
https://www.ncbi.nlm.nih.gov/pubmed/35517278
http://dx.doi.org/10.1039/c8ra08576e