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dc.contributor.authorGonçalves, Juliana Aparecida-
dc.contributor.authorNascimento, Regiane do-
dc.contributor.authorMatos, Matheus Josué de Souza-
dc.contributor.authorOliveira, Alan Barros de-
dc.contributor.authorChacham, Helio-
dc.contributor.authorBatista, Ronaldo Junio Campos-
dc.identifier.citationGONÇALVES, J. A. et al. Edge-reconstructed, few-layered graphene nanoribbons: stability and electronic properties. Journal of Physical Chemistry. C, v. 01, p. 1-5,  2017. Disponível em: <>. Acesso em: 16 jan. 2018.pt_BR
dc.description.abstractWe report a first-principles study of edgereconstructed, few-layered graphene nanoribbons. We find that the nanoribbon stability increases linearly with increasing width and decreases linearly with increasing number of layers (from three to six layers). Specifically, we find that a threelayer 1.3 nm wide ribbon is energetically more stable than the C60 fullerene, and that a 1.8 nm wide ribbon is more stable than a (10,0) carbon nanotube. The morphologies of the reconstructed edges are characterized by the presence of five-, six-, and sevenfold rings, with sp3 and sp2 bonds at the reconstructed edges. The electronic structure of the few-layered nanoribbons with reconstructed edges can be metallic or semiconducting, with band gaps oscillating between 0 and 0.28 eV as a function of ribbon width.pt_BR
dc.titleEdge-reconstructed, few-layered graphene nanoribbons : stability and electronic properties.pt_BR
dc.typeArtigo publicado em periodicopt_BR
Appears in Collections:DEFIS - Artigos publicados em periódicos

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