Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/63598
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dc.contributor.CRUESPUniversidade Estadual de Campinaspt_BR
dc.typeArtigo de periódicopt_BR
dc.titleDynamical aspects of the unzipping of multiwalled boron nitride nanotubespt_BR
dc.contributor.authorPerim, Ept_BR
dc.contributor.authorAutreto, PASpt_BR
dc.contributor.authorPaupitz, Rpt_BR
dc.contributor.authorGalvao, DSpt_BR
unicamp.author.emailpaupitz@rc.unesp.brpt_BR
unicamp.authorPerim, E. Autreto, P. A. S. Galvao, D. S. Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083970 Sao Paulo, Brazilpt_BR
unicamp.authorPaupitz, R. Univ Estadual Paulista, IGCE, Dept Fis, UNESP, BR-13506900 Rio Claro, SP, Brazilpt_BR
dc.subject.wosElectronegativity Equalization Methodpt_BR
dc.subject.wosGraphene Nanoribbonspt_BR
dc.subject.wosCarbon Nanotubespt_BR
dc.subject.wosNanosheetspt_BR
dc.subject.wosHydrogenationpt_BR
dc.subject.wosFabricationpt_BR
dc.subject.wosFieldpt_BR
dc.subject.wosGapspt_BR
dc.subject.wosBnpt_BR
dc.description.abstractBoron nitride nanoribbons (BNNRs) exhibit very interesting magnetic properties, which could be very useful in the development of spintronic based devices. One possible route to obtain BNNRs is through the unzipping of boron nitride nanotubes (BNNTs), which have been already experimentally realized. In this work, different aspects of the unzipping process of BNNTs were investigated through fully atomistic molecular dynamics simulations using a classical reactive force field (ReaxFF). We investigated multiwalled BNNTs of different diameters and chiralities. Our results show that chirality plays a very important role in the unzipping process, as well as the interlayer coupling. These combined aspects significantly change the fracturing patterns and several other features of the unzipping processes in comparison to the ones observed for carbon nanotubes. Also, similar to carbon nanotubes, defective BNNTs can create regions of very high curvature which can act as a path to the unzipping process.pt
dc.description.noteo TEXTO COMPLETO DESTE ARTIGO, ESTARÁ DISPONÍVEL À PARTIR DE AGOSTO DE 2015.pt
dc.relation.ispartofPhysical Chemistry Chemical Physicspt_BR
dc.relation.ispartofabbreviationPhys. Chem. Chem. Phys.pt_BR
dc.publisher.cityCambridgept_BR
dc.publisher.countryInglaterrapt_BR
dc.publisherRoyal Soc Chemistrypt_BR
dc.date.issued2013pt_BR
dc.identifier.citationPhysical Chemistry Chemical Physics. Royal Soc Chemistry, v. 15, n. 44, n. 19147, n. 19150, 2013.pt_BR
dc.language.isoenpt_BR
dc.description.volume15pt_BR
dc.description.issuenumber44pt_BR
dc.description.initialpage19147pt_BR
dc.description.lastpage19150pt_BR
dc.rightsembargopt_BR
dc.sourceWeb of Sciencept_BR
unicamp.cruespUNESPpt_BR
dc.identifier.issn1463-9076pt_BR
dc.identifier.eissn1463-9084pt_BR
dc.identifier.wosidWOS:000326220000009pt_BR
dc.identifier.doi10.1039/c3cp52701hpt_BR
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)pt_BR
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)pt_BR
dc.description.sponsorshipCenter for Computational Engineering and Sciences at Unicamp [2013/08293-7]pt_BR
dc.description.sponsorship1Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)pt_BR
dc.description.sponsorship1Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)pt_BR
dc.description.sponsordocumentnumberFAPESP [2011/17253-3]pt
dc.description.sponsordocumentnumberCenter for Computational Engineering and Sciences at Unicamp [2013/08293-7]pt
dc.date.available2014-07-30T17:05:03Z
dc.date.available2015-11-26T16:46:28Z-
dc.date.accessioned2014-07-30T17:05:03Z
dc.date.accessioned2015-11-26T16:46:28Z-
dc.description.provenanceMade available in DSpace on 2014-07-30T17:05:03Z (GMT). No. of bitstreams: 0 Previous issue date: 2013en
dc.description.provenanceMade available in DSpace on 2015-11-26T16:46:28Z (GMT). No. of bitstreams: 0 Previous issue date: 2013en
dc.identifier.urihttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/63598
dc.identifier.urihttp://repositorio.unicamp.br/jspui/handle/REPOSIP/63598-
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