Inorganic Graphenylene: A Porous Two-Dimensional Material With Tunable Band Gap

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dc.contributor.authorPerim, E.
dc.contributor.authorPaupitz, R. [UNESP]
dc.contributor.authorAutreto, P. A. S.
dc.contributor.authorGalvao, D. S.
dc.contributor.institutionUniversidade Estadual de Campinas (UNICAMP)
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2015-03-18T15:54:14Z
dc.date.available2015-03-18T15:54:14Z
dc.date.issued2014-10-16
dc.description.abstractBy means of ab initio calculations, we investigate the possibility of existence of a boron nitride (BN) porous two-dimensional nanosheet, which is geometrically similar to the carbon allotrope known as biphenylene carbon. The proposed structure, which we called inorganic graphenylene (IGP), is formed spontaneously after selective dehydrogenation of the porous boron nitride (BN) structure proposed by Ding et al. We study the structural and electronic properties of both porous BN and IGP, and it is shown that, by selective substitution of B and N atoms with carbon atoms in these structures, the band gap can be significantly reduced, changing their behavior from insulators to semiconductors, thus opening the possibility of band gap engineering for this class of two-dimensional materials.en
dc.description.affiliationUniv Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083970 Campinas, SP, Brazil
dc.description.affiliationUniv Estadual Paulista, UNESP, Dept Fis, BR-13506900 Rio Claro, SP, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, UNESP, Dept Fis, BR-13506900 Rio Claro, SP, Brazil
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipIdFAPESP: 13/08293-7
dc.description.sponsorshipIdFAPESP: 11/17253-3
dc.format.extent23670-23674
dc.identifierhttp://dx.doi.org/10.1021/jp502119y
dc.identifier.citationJournal Of Physical Chemistry C. Washington: Amer Chemical Soc, v. 118, n. 41, p. 23670-23674, 2014.
dc.identifier.doi10.1021/jp502119y
dc.identifier.issn1932-7447
dc.identifier.urihttp://hdl.handle.net/11449/116833
dc.identifier.wosWOS:000343333600027
dc.language.isoeng
dc.publisherAmer Chemical Soc
dc.relation.ispartofJournal Of Physical Chemistry C
dc.relation.ispartofjcr4.484
dc.relation.ispartofsjr2,135
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.titleInorganic Graphenylene: A Porous Two-Dimensional Material With Tunable Band Gapen
dc.typeArtigo
dcterms.rightsHolderAmer Chemical Soc
unesp.author.orcid0000-0003-0145-8358[4]
unesp.author.orcid0000-0002-9653-0692[1]
unesp.author.orcid0000-0003-1254-6353[2]
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Geociências e Ciências Exatas, Rio Claropt

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