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http://hdl.handle.net/1843/64204| Type: | Artigo de Periódico |
| Title: | Edge-reconstructed, few-layered graphene nanoribbons: stability and electronic properties |
| Authors: | Juliana Aparecida Gonçalves Regiane do Nascimento Matheus Josué de Souza Matos Alan Barros de Oliveira Helio Chacham Ronaldo Junio Campos Batista |
| Abstract: | We report a first-principles study of edge-reconstructed, 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 three-layer 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. |
| Subject: | Carbono Estrutura química Energia |
| language: | eng |
| metadata.dc.publisher.country: | Brasil |
| Publisher: | Universidade Federal de Minas Gerais |
| Publisher Initials: | UFMG |
| metadata.dc.publisher.department: | ICX - DEPARTAMENTO DE FÍSICA |
| Rights: | Acesso Restrito |
| metadata.dc.identifier.doi: | https://doi.org/10.1021/acs.jpcc.7b00532 |
| URI: | http://hdl.handle.net/1843/64204 |
| Issue Date: | 2017 |
| metadata.dc.url.externa: | https://pubs.acs.org/doi/10.1021/acs.jpcc.7b00532 |
| metadata.dc.relation.ispartof: | The Journal of Physical Chemistry C |
| Appears in Collections: | Artigo de Periódico |
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