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Oxygen Reduction Reaction on N-Doped Graphene: Effect of Positions and Scaling Relations of Adsorption Energies

[Image: see text] The goal of this study is to provide insight into the mechanism of the oxygen reduction reaction (ORR) on N-doped graphene surfaces. Using density functional theory and a computational hydrogen electrode model, we studied the energetics of the ORR intermediates, the effect of the p...

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Detalhes bibliográficos
Publicado no:J Phys Chem C Nanomater Interfaces
Main Authors: Ganyecz, Ádám, Kállay, Mihály
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2021
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8161692/
https://ncbi.nlm.nih.gov/pubmed/34084263
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.0c11340
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