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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2019
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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 |