Onset of nanotube decay under extreme thermal and electronic excitations

Presentado al "Tsukuba Symposium on Carbon Nanotube" in commemoration of the 10th Anniversary of its discovery.

Detalhes bibliográficos
Autores: Miyamoto, Yoshiyuki, Berber, Savas, Yoon, Mina, Rubio, Angel, Tománek, David
Formato: artículo
Estado:Versión enviada para evaluación y publicación
Fecha de publicación:2002
País:España
Recursos:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/98491
Acesso em linha:http://hdl.handle.net/10261/98491
Access Level:acceso abierto
Palavra-chave:Carbon nanotubes
Defects
Molecular dynamics
Density functional theory
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spelling Onset of nanotube decay under extreme thermal and electronic excitationsMiyamoto, YoshiyukiBerber, SavasYoon, MinaRubio, AngelTománek, DavidCarbon nanotubesDefectsMolecular dynamicsDensity functional theoryPresentado al "Tsukuba Symposium on Carbon Nanotube" in commemoration of the 10th Anniversary of its discovery.Stability test of nanotubes with presence of single vacancies has been performed by means of tight-binding molecular dynamics and electron–ion dynamics within the framework of the density functional theory. A4Â diameter nanotube having a single vacancy with three dangling bonds has been found to retain its cylindrical shape under high temperature around 4000K, despite its large internal strain energy. Meanwhile, an electronic excitation of vacancy-related state has shown considerable atomic displacement, which may cause extraordinary large lattice vibration or nanotube decay. Furthermore, the single vacancy can stabilize itself by making carbon dimer to remain with only one dangling bond. Narrower nanotubes tend to prefer this self-stabilization and thus could be tolerant to the presence of defectsPeer reviewedElsevierConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]201420142002info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Preprintinfo:eu-repo/semantics/submittedVersionhttp://hdl.handle.net/10261/98491reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttp://dx.doi.org/10.1016/S0921-4526(02)00988-2Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/984912026-05-22T06:33:51Z
dc.title.none.fl_str_mv Onset of nanotube decay under extreme thermal and electronic excitations
title Onset of nanotube decay under extreme thermal and electronic excitations
spellingShingle Onset of nanotube decay under extreme thermal and electronic excitations
Miyamoto, Yoshiyuki
Carbon nanotubes
Defects
Molecular dynamics
Density functional theory
title_short Onset of nanotube decay under extreme thermal and electronic excitations
title_full Onset of nanotube decay under extreme thermal and electronic excitations
title_fullStr Onset of nanotube decay under extreme thermal and electronic excitations
title_full_unstemmed Onset of nanotube decay under extreme thermal and electronic excitations
title_sort Onset of nanotube decay under extreme thermal and electronic excitations
dc.creator.none.fl_str_mv Miyamoto, Yoshiyuki
Berber, Savas
Yoon, Mina
Rubio, Angel
Tománek, David
author Miyamoto, Yoshiyuki
author_facet Miyamoto, Yoshiyuki
Berber, Savas
Yoon, Mina
Rubio, Angel
Tománek, David
author_role author
author2 Berber, Savas
Yoon, Mina
Rubio, Angel
Tománek, David
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Carbon nanotubes
Defects
Molecular dynamics
Density functional theory
topic Carbon nanotubes
Defects
Molecular dynamics
Density functional theory
description Presentado al "Tsukuba Symposium on Carbon Nanotube" in commemoration of the 10th Anniversary of its discovery.
publishDate 2002
dc.date.none.fl_str_mv 2002
2014
2014
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Preprint
info:eu-repo/semantics/submittedVersion
format article
status_str submittedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/98491
url http://hdl.handle.net/10261/98491
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv http://dx.doi.org/10.1016/S0921-4526(02)00988-2
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,81155

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