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Title: Edge-reconstructed, few-layered graphene nanoribbons : stability and electronic properties.
Authors: Gonçalves, Juliana Aparecida
Nascimento, Regiane do
Matos, Matheus Josué de Souza
Oliveira, Alan Barros de
Chacham, Helio
Batista, Ronaldo Junio Campos
Issue Date: 2017
Citation: GONÇALVES, 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.
Abstract: We 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.
ISSN: 1932-7447
Appears in Collections:DEFIS - Artigos publicados em periódicos

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