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Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/242420
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dc.contributor.CRUESPUNIVERSIDADE ESTADUAL DE CAMPINASpt_BR
dc.contributor.authorunicampBrunetto, Gustavopt_BR
dc.contributor.authorunicampGalvão, Douglas Soarespt_BR
dc.typeArtigopt_BR
dc.titleLinear carbon chains under high-pressure conditionspt_BR
dc.contributor.authorAndrade, N. F.pt_BR
dc.contributor.authorAguiar, A. L.pt_BR
dc.contributor.authorKim, Y. A.pt_BR
dc.contributor.authorEndo, M.pt_BR
dc.contributor.authorFreire, P. T. C.pt_BR
dc.contributor.authorBrunetto, G.pt_BR
dc.contributor.authorGalvão, D. S.pt_BR
dc.contributor.authorDresselhaus, M. S.pt_BR
dc.contributor.authorSouza Filho, A. G.pt_BR
dc.subjectCarbonopt_BR
dc.subjectDinâmica molecularpt_BR
dc.subjectNanotubos de carbono de paredes multiplaspt_BR
dc.subject.otherlanguageCarbonpt_BR
dc.subject.otherlanguageMolecular dynamicspt_BR
dc.subject.otherlanguageMultiwalled carbon nanotubespt_BR
dc.description.abstractA high-pressure resonance Raman spectroscopy study of linear carbon chains encapsulated inside multiwalled carbon nanotubes (MWCNTs) is reported. While the frequencies of the tangential modes of carbon nanotubes (G band) harden as the pressure increases, the vibrational frequencies of the chain modes (around 1850 cm(-1)) decrease, thus indicating a softening of the carbon-carbon bonds in this 1D solid. Pressure-induced irreversible structural changes in the linear carbon chains are unveiled by the red shift in the vibrational modes when pressure is released. These results have been interpreted as being due to a coalescence of carbon chains, and this hypothesis is supported by state-of-the-art atomistic reactive molecular dynamics simulations.en
dc.description.abstractA high-pressure resonance Raman spectroscopy study of linear carbon chains encapsulated inside multiwalled carbon nanotubes (MWCNTs) is reported. While the frequencies of the tangential modes of carbon nanotubes (G band) harden as the pressure increases, the vibrational frequencies of the chain modes (around 1850 cm(-1)) decrease, thus indicating a softening of the carbon-carbon bonds in this 1D solid. Pressure-induced irreversible structural changes in the linear carbon chains are unveiled by the red shift in the vibrational modes when pressure is released. These results have been interpreted as being due to a coalescence of carbon chains, and this hypothesis is supported by state-of-the-art atomistic reactive molecular dynamics simulations.pt_BR
dc.relation.ispartofThe journal of physical chemistry. Part Cpt_BR
dc.relation.ispartofabbreviationJ. phys. chem. Cpt_BR
dc.publisher.cityWashington, WApt_BR
dc.publisher.countryEstados Unidospt_BR
dc.publisherAmerican Chemical Societypt_BR
dc.date.issued2015pt_BR
dc.date.monthofcirculationMaypt_BR
dc.identifier.citationLinear Carbon Chains Under High-pressure Conditions. Amer Chemical Soc, v. 119, p. 10669-10676 MAY-2015.pt_BR
dc.language.isoengpt_BR
dc.description.volume119pt_BR
dc.description.issuenumber19pt_BR
dc.description.firstpage10669pt_BR
dc.description.lastpage10676pt_BR
dc.rightsfechadopt_BR
dc.sourceWOSpt_BR
dc.identifier.issn1932-7447pt_BR
dc.identifier.eissn1932-7455pt_BR
dc.identifier.doi10.1021/acs.jpcc.5b00902pt_BR
dc.identifier.urlhttps://pubs.acs.org/doi/10.1021/acs.jpcc.5b00902pt_BR
dc.description.sponsorshipCNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOpt_BR
dc.description.sponsorshipCAPES - COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIORpt_BR
dc.description.sponsorshipFAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOpt_BR
dc.description.sponsorshipFUNDAÇÃO CEARENSE DE APOIO AO DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - FUNCAPpt_BR
dc.description.sponsorship1CNPQ - CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICOpt_BR
dc.description.sponsorship1CAPES - COORDENAÇÃO DE APERFEIÇOAMENTO DE PESSOAL DE NÍVEL SUPERIORpt_BR
dc.description.sponsorship1FAPESP - FUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULOpt_BR
dc.description.sponsorship1FUNDAÇÃO CEARENSE DE APOIO AO DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - FUNCAPpt_BR
dc.description.sponsordocumentnumber307317/2010-2pt_BR
dc.description.sponsordocumentnumberSem informaçãopt_BR
dc.description.sponsordocumentnumber2013/08293-7pt_BR
dc.description.sponsordocumentnumberPR2-0054-00022.01.00/11pt_BR
dc.date.available2016-06-07T13:17:50Z-
dc.date.accessioned2016-06-07T13:17:50Z-
dc.description.provenanceMade available in DSpace on 2016-06-07T13:17:50Z (GMT). No. of bitstreams: 1 wos_000354912200058.pdf: 4247598 bytes, checksum: 96e4e412828caefddba1807fb88efd86 (MD5) Previous issue date: 2015 Bitstreams deleted on 2020-09-02T13:39:58Z: wos_000354912200058.pdf,. Added 1 bitstream(s) on 2020-09-02T13:43:59Z : No. of bitstreams: 1 000354912200058.pdf: 4336437 bytes, checksum: fc99a3982987bd1fee4a92cd044546f3 (MD5)en
dc.identifier.urihttp://repositorio.unicamp.br/jspui/handle/REPOSIP/242420-
dc.contributor.departmentDepartamento de Física Aplicadapt_BR
dc.contributor.departmentDepartamento de Física Aplicadapt_BR
dc.contributor.unidadeInstituto de Física Gleb Wataghinpt_BR
dc.contributor.unidadeInstituto de Física Gleb Wataghinpt_BR
dc.identifier.source000354912200058pt_BR
dc.creator.orcid0000-0002-7260-7907pt_BR
dc.creator.orcid0000-0003-0145-8358pt_BR
dc.type.formArtigopt_BR
dc.description.sponsorNoteN.F.A., P.T.C.F., A.G.S.F., A.L.A., G.B., and D.S.G. acknowledge funding from the Brazilian agencies CNPq, CAPES, and FAPESP. A.G.S.F. acknowledges CNPq (grant no. 307317/2010-2 and INCT NanoBioSimes) and Fundação Cearense de Apoio ao Desenvolvimento Científico e Tecnológico (FUNCAP) through PRONEX (grant no. PR2-0054-00022.01.00/11). G.B. and D.S.G. thank the Center for Computational Engineering and Sciences at Unicamp for financial support through the FAPESP/CEPID, grant no. 2013/08293-7. M.S.D. acknowledges financial support from NSF grant DMR-1004147. Y.A.K. acknowledges NRF-2014R1A2A1A10050585.pt_BR
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