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dc.contributor.authorSantos, Ramiro Marcelo dos-
dc.contributor.authorCunha, Wiliam Ferreira da-
dc.contributor.authorSousa Júnior, Rafael Timóteo de-
dc.contributor.authorGiozza, William Ferreira-
dc.contributor.authorRibeiro Júnior, Luiz Antônio-
dc.date.accessioned2024-06-05T12:01:11Z-
dc.date.available2024-06-05T12:01:11Z-
dc.date.issued2020-10-07-
dc.identifier.citationSANTOS, Ramiro Marcelo dos et al. Tuning magnetic properties of penta-graphene bilayers through doping with boron, nitrogen, and oxygen. Scientific Reports, v. 10, art. n. 16748, 2020. DOI: https://doi.org/10.1038/s41598-020-73901-8. Disponível em: https://www.nature.com/articles/s41598-020-73901-8. Acesso em: 04 jun. 2024.pt_BR
dc.identifier.urihttp://repositorio2.unb.br/jspui/handle/10482/48158-
dc.language.isoengpt_BR
dc.publisherNaturept_BR
dc.rightsAcesso Abertopt_BR
dc.titleTuning magnetic properties of penta‑graphene bilayers through doping with boron, nitrogen, and oxygenpt_BR
dc.typeArtigopt_BR
dc.subject.keywordGrafenopt_BR
dc.subject.keywordPropriedades magnéticaspt_BR
dc.rights.license(CC BY) Open Access Tis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. Te images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.pt_BR
dc.identifier.doihttps://doi.org/10.1038/s41598-020-73901-8pt_BR
dc.description.abstract1Penta-graphene (PG) is a carbon allotrope that has recently attracted the attention of the materials science community due to its interesting properties for renewable energy applications. Although unstable in its pure form, it has been shown that functionalization may stabilize its structure. A question that arises is whether its outstanding electronic properties could also be further improved using such a procedure. As PG bilayers present both sp2 and sp3 carbon planes, it consists of a fexible candidate for functionalization tuning of electromagnetic properties. In this work, we perform density functional theory calculations to investigate how the electronic and structural properties of PG bilayers can be tuned as a result of substitutional doping. Specifcally, we observed the emergence of diferent magnetic properties when boron and nitrogen were used as dopant species. On the other hand, in the case of doping with oxygen, the rupture of bonds in the sp2 planes has not induced a magnetic moment in the material.pt_BR
dc.contributor.affiliationUniversity of Brasília, Institute of Physicspt_BR
dc.contributor.affiliationUniversity of Brasília, Institute of Physicspt_BR
dc.contributor.affiliationUniversity of Brasília, Department of Electrical Engineeringpt_BR
dc.contributor.affiliationUniversity of Brasília, Department of Electrical Engineeringpt_BR
dc.contributor.affiliationUniversity of Brasília, Institute of Physicspt_BR
dc.description.unidadeInstituto de Física (IF)pt_BR
dc.description.unidadeFaculdade de Tecnologia (FT)pt_BR
dc.description.unidadeDepartamento de Engenharia Elétrica (FT ENE)pt_BR
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