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Oxygen Evolution and Reduction Reaction Activity Investigations on Fe, Co or Ni embedded Tetragonal Graphene by A Thermodynamical Full‐Landscape Searching Scheme

Single transition metal (TM) atoms such as Fe, Co and Ni occupying a carbon divacancy in tetragonal graphene (TG) and bonded with four nitrogen atoms (TM@N(4)TG) as electrocatalysts are investigated by means of first‐principles calculations. To consider the effect of solvent species on the local con...

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Detalles Bibliográficos
Autor principal:	Gai, Yanqin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2021
Materias:	Full Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8248917/ https://www.ncbi.nlm.nih.gov/pubmed/33594818 http://dx.doi.org/10.1002/open.202000326

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