Comparative Study Of Bxnycz Nanojunctions Fragments

dc.creatorDe Souza Batista F.A.
dc.creatorManzanares R.D.
dc.creatorDos Reis Juniora M.
dc.creatorCustodio R.
dc.creatorCarvalho A.C.M.
dc.date2011
dc.date2015-06-30T20:46:53Z
dc.date2015-11-26T14:55:09Z
dc.date2015-06-30T20:46:53Z
dc.date2015-11-26T14:55:09Z
dc.date.accessioned2018-03-28T22:07:15Z
dc.date.available2018-03-28T22:07:15Z
dc.identifier
dc.identifierMaterials Research. , v. 14, n. 3, p. 281 - 286, 2011.
dc.identifier15161439
dc.identifier10.1590/S1516-14392011005000050
dc.identifierhttp://www.scopus.com/inward/record.url?eid=2-s2.0-80054910455&partnerID=40&md5=de2bea81ebcc4bd9dc0bd99e31ef6aa9
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/109198
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/109198
dc.identifier2-s2.0-80054910455
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1255315
dc.descriptionTheoretical analysis of formation energy and geometry was done to compare the relative stabilities of modified carbon nanostructures representative fragments. Structure and energies of formation were calculated at semiempirical level of theory. Depending of B-N pair localization on the molecular structures the formation enthalpy decreases. B-N substitution in tubular structures at low concentration decreases the energy when the tubes have small diameters. Our results are in according to experimental works which have shown that boron and nitrogen are met at region of defects in BXCYNZ nanostructures. © 2011.
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dc.languageen
dc.publisher
dc.relationMaterials Research
dc.rightsaberto
dc.sourceScopus
dc.titleComparative Study Of Bxnycz Nanojunctions Fragments
dc.typeArtículos de revistas


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