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

dc.contributorUniversidade Estadual Paulista (UNESP)
dc.creatorPerim, E.
dc.creatorPaupitz, R.
dc.creatorAutreto, P. A. S.
dc.creatorGalvao, D. S.
dc.date2015-03-18T15:54:14Z
dc.date2016-10-25T20:28:10Z
dc.date2015-03-18T15:54:14Z
dc.date2016-10-25T20:28:10Z
dc.date2014-10-16
dc.date.accessioned2017-04-06T07:08:01Z
dc.date.available2017-04-06T07:08:01Z
dc.identifierJournal Of Physical Chemistry C. Washington: Amer Chemical Soc, v. 118, n. 41, p. 23670-23674, 2014.
dc.identifier1932-7447
dc.identifierhttp://hdl.handle.net/11449/116833
dc.identifierhttp://acervodigital.unesp.br/handle/11449/116833
dc.identifier10.1021/jp502119y
dc.identifierWOS:000343333600027
dc.identifierhttp://dx.doi.org/10.1021/jp502119y
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/927480
dc.descriptionBy 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.
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.languageeng
dc.publisherAmer Chemical Soc
dc.relationJournal Of Physical Chemistry C
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.titleInorganic Graphenylene: A Porous Two-Dimensional Material With Tunable Band Gap
dc.typeOtro


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