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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| 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 |