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CO(2) Adsorption over 3d Transition-Metal Nanoclusters Supported on Pyridinic N(3)-Doped Graphene: A DFT Investigation

CO(2) adsorption on bare 3d transition-metal nanoclusters and 3d transition-metal nanoclusters supported on pyridinic N(3)-doped graphene (PNG) was investigated by employing the density functional theory. First, the interaction of Co(13) and Cu(13) with PNG was analyzed by spin densities, interactio...

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Detalles Bibliográficos
Autores principales:	Montejo-Alvaro, Fernando, Martínez-Espinosa, Jesus A., Rojas-Chávez, Hugo, Navarro-Ibarra, Diana C., Cruz-Martínez, Heriberto, Medina, Dora I.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9457930/ https://www.ncbi.nlm.nih.gov/pubmed/36079518 http://dx.doi.org/10.3390/ma15176136

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