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Campo Dublin Core | Valor | Idioma |
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dc.contributor.author | Gonçalves, Juliana Aparecida | - |
dc.contributor.author | Batista, Ronaldo Junio Campos | - |
dc.contributor.author | Tromer, Raphael Matozo | - |
dc.contributor.author | Azevedo, Sérgio André Fontes | - |
dc.date.accessioned | 2020-08-14T20:31:40Z | - |
dc.date.available | 2020-08-14T20:31:40Z | - |
dc.date.issued | 2019 | - |
dc.identifier.citation | GONÇALVES, J. A. et al. Study of the stability and electronic properties of h-BN nanoribbons with reconstructed edges. Chemical Physics Letters, v. 727, p. 126-132, jul. 2019. Disponível em: <https://www.sciencedirect.com/science/article/abs/pii/S000926141930332X>. Acesso em: 03 jul. 2020. | pt_BR |
dc.identifier.issn | 0009-2614 | - |
dc.identifier.uri | http://www.repositorio.ufop.br/handle/123456789/12596 | - |
dc.description.abstract | Energetics and electronic properties of three-layered hBN nanoribbons, with reconstructed edges, were investigated, using density functional theory. Such edges present lines of pentagonal and heptagonal rings, where homopolar B-B and N-N bonds exist. The homopolar bonds and their distribution, determine the energetic stability of hBN nanoribbons. The structures with the lowest amount of homopolar bonds presents a value of formation energy smaller than the single hBN layer, which suggests that such kind of reconstruction may indeed occur in real three-layered hBN systems. In addition, our results suggest that reconstructed edges on hBN nanoribbons are more stable than their carbon counterparts. | pt_BR |
dc.language.iso | en_US | pt_BR |
dc.rights | restrito | pt_BR |
dc.subject | Boron nitride | pt_BR |
dc.subject | Nano-structure | pt_BR |
dc.title | Study of the stability and electronic properties of h-BN nanoribbons with reconstructed edges. | pt_BR |
dc.type | Artigo publicado em periodico | pt_BR |
dc.identifier.uri2 | https://www.sciencedirect.com/science/article/abs/pii/S000926141930332X | pt_BR |
dc.identifier.doi | https://doi.org/10.1016/j.cplett.2019.04.057 | pt_BR |
Aparece nas coleções: | DEFIS - Artigos publicados em periódicos |
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ARTIGO_StudyStabilityElectronic.pdf Restricted Access | 2,39 MB | Adobe PDF | Visualizar/Abrir |
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