Skip navigation
Use este identificador para citar ou linkar para este item: http://repositorio.unb.br/handle/10482/41113
Arquivos associados a este item:
Não existem arquivos associados a este item.
Registro completo de metadados
Campo DCValorIdioma
dc.contributor.authorSantos, Ramiro Marcelo dos-
dc.contributor.authorGiozza, William Ferreira-
dc.contributor.authorSousa Júnior, Rafael Timóteo de-
dc.contributor.authorSilva Filho, Demétrio Antônio da-
dc.contributor.authorSantos, Renato dos-
dc.contributor.authorRibeiro Júnior, Luiz Antônio-
dc.date.accessioned2021-06-08T11:55:04Z-
dc.date.available2021-06-08T11:55:04Z-
dc.date.issued2021-
dc.identifier.citationSANTOS, Ramiro Marcelo dos et al. A DFT study on the electronic structure of in-plane heterojunctions of graphene and hexagonal boron nitride nanoribbons. Electronic Structure, 2021.pt_BR
dc.identifier.urihttps://repositorio.unb.br/handle/10482/41113-
dc.descriptionAccepted Manuscript.pt_BR
dc.language.isoInglêspt_BR
dc.publisherIOP Publishing Ltdpt_BR
dc.rightsAcesso Restritopt_BR
dc.titleA DFT study on the electronic structure of in-plane heterojunctions of graphene and hexagonal boron nitride nanoribbonspt_BR
dc.typeManuscritopt_BR
dc.subject.keywordHeterojunçõespt_BR
dc.subject.keywordNitreto de boropt_BR
dc.subject.keywordEstrutura eletrônicapt_BR
dc.subject.keywordDFTpt_BR
dc.relation.publisherversionhttps://iopscience.iop.org/article/10.1088/2516-1075/abfb07/metapt_BR
dc.description.abstract1The structural similarity between hexagonal boron nitride (h-BN) and graphene nanoribbons allows forming heterojunctions with small chain stress. The insulation nature of the former and the quasi-metallic property of the latter make them attractive for flat optoelectronics. Recently, shapes of graphene and h-BN domains were precisely controlled, creating sharp graphene/h-BN interfaces. Here, we investigated the electronic and structural properties of graphene (h-BN) nanoribbon domains of different sizes sandwiched between h-BN (graphene) nanoribbons forming in-plane heterojunctions. Different domain sizes for the non-passivated zigzag edge termination were studied. Results showed that the charge density is localized in the edge of the heterojunctions, regardless of the domain size. The systems with graphene domains are metallic, presenting null band gaps. The ones with the h-BN island are small-bandgap semiconductors with the highest bandgap value around 0.2 eV. The calculated bandgap has the same magnitude of the certain threshold for DFT. As a general trend, these materials exhibit a ferromagnetic behavior, which can be useful for magnetic applications at the nanoscale.pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-7103-4780pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-7468-2946pt_BR
dc.description.unidadeInstituto de Física (IF)pt_BR
Aparece nas coleções:Artigos publicados em periódicos e afins

Mostrar registro simples do item Visualizar estatísticas



Os itens no repositório estão protegidos por copyright, com todos os direitos reservados, salvo quando é indicado o contrário.