Study of the stability and electronic properties of h-BN nanoribbons with reconstructed edges.

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MetadadosDescriçãoIdioma
Autor(es): dc.creatorGonçalves, Juliana Aparecida-
Autor(es): dc.creatorBatista, Ronaldo Junio Campos-
Autor(es): dc.creatorTromer, Raphael Matozo-
Autor(es): dc.creatorAzevedo, Sérgio André Fontes-
Data de aceite: dc.date.accessioned2025-08-21T15:46:29Z-
Data de disponibilização: dc.date.available2025-08-21T15:46:29Z-
Data de envio: dc.date.issued2020-08-14-
Data de envio: dc.date.issued2020-08-14-
Data de envio: dc.date.issued2019-
Fonte completa do material: dc.identifierhttp://www.repositorio.ufop.br/handle/123456789/12596-
Fonte completa do material: dc.identifierhttps://www.sciencedirect.com/science/article/abs/pii/S000926141930332X-
Fonte completa do material: dc.identifierhttps://doi.org/10.1016/j.cplett.2019.04.057-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1023778-
Descrição: dc.descriptionEnergetics 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.-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Direitos: dc.rightsrestrito-
Palavras-chave: dc.subjectBoron nitride-
Palavras-chave: dc.subjectNano-structure-
Título: dc.titleStudy of the stability and electronic properties of h-BN nanoribbons with reconstructed edges.-
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