Density Functional Theory Study of the Oxygen Reduction Reaction Mechanism on Graphene Doped with Nitrogen and a Transition Metal

[Image: see text] The active centers of carbon nonplatinum catalysts doped with cobalt, iron, nickel, and copper have been simulated by quantum-chemical density functional theory methods. The thermodynamics of the electrochemical oxygen reduction reaction (ORR) on model catalysts has been determined...

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Detalles Bibliográficos
Autores principales: Vinogradov, Kirill Yurievich, Bulanova, Anzhela Vladimirovna, Shafigulin, Roman Vladimirovich, Tokranova, Elena Olegovna, Mebel, Alexander Moiseevich, Zhu, Hong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8892652/
https://www.ncbi.nlm.nih.gov/pubmed/35252697
http://dx.doi.org/10.1021/acsomega.1c06768

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