Ab Initio Study of the Interaction of a Graphene Surface Decorated with a Metal-Doped C(30) with Carbon Monoxide, Carbon Dioxide, Methane, and Ozone

Using DFT simulations, we studied the interaction of a semifullerene C(30) and a defected graphene layer. We obtained the C(30) chemisorbs on the surface. We also found the adsorbed C(30) chemisorbs, Li, Ti, or Pt, on its concave part. Thus, the resulting system (C(30)-graphene) is a graphene layer...

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Detalles Bibliográficos
Autores principales: Canales, Mónica, Ramírez-de-Arellano, Juan Manuel, Arellano, Juan Salvador, Magaña, Luis Fernando
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9105178/
https://www.ncbi.nlm.nih.gov/pubmed/35563323
http://dx.doi.org/10.3390/ijms23094933

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9105178/
https://www.ncbi.nlm.nih.gov/pubmed/35563323
http://dx.doi.org/10.3390/ijms23094933

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