Please use this identifier to cite or link to this item: http://www.repositorio.ufop.br/handle/123456789/7019
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dc.contributor.authorOliveira, Alan Barros de-
dc.contributor.authorChacham, Helio-
dc.contributor.authorSoares, Jaqueline dos Santos-
dc.contributor.authorManhabosco, Taíse Matte-
dc.contributor.authorResende, Hélio Fernando Verona de-
dc.contributor.authorBatista, Ronaldo Junio Campos-
dc.date.accessioned2016-10-03T18:21:40Z-
dc.date.available2016-10-03T18:21:40Z-
dc.date.issued2016-
dc.identifier.citationOLIVEIRA, A. B. de. et al. Vibrational G peak splitting in laterally functionalized single wall carbon nanotubes: theory and molecular dynamics simulations. Carbon, New York, v. 96, p. 616-621, 2016. Disponível em: <http://www.sciencedirect.com/science/article/pii/S0008622315303171>. Acesso em: 07 ago. 2016.pt_BR
dc.identifier.issn0008-6223-
dc.identifier.urihttp://www.repositorio.ufop.br/handle/123456789/7019-
dc.description.abstractWe present a theoretical study of the vibrational spectrum, in the G band region, of laterally hydrogenated single wall carbon nanotubes through molecular dynamics simulations. We find that bilateral hydrogenation e which can be induced by hydrogenation under lateral strain e causes permanent oval deformations on the nanotubes and induces the splitting of vibrational states in the G-band region. We propose that such splitting can be used as a Raman fingerprint for detecting nanotubes that have been permanently modified due to bilateral hydrogenation. In particular, our results may help to clarify the recent findings of Araujo and collaborators [Nano Lett. 12, 4110 (2012)] which have found permanent modifications in the Raman G peaks of locally compressed carbon nanotubes. We have also developed an analytical model for the proposed phenomenon that reproduces the splitting observed in the simulations.pt_BR
dc.language.isoen_USpt_BR
dc.rightsabertopt_BR
dc.titleVibrational G peak splitting in laterally functionalized single wall carbon nanotubes : theory and molecular dynamics simulations.pt_BR
dc.typeArtigo publicado em periodicopt_BR
dc.rights.licenseO periódico Carbon concede permissão para depósito deste artigo no Repositório Institucional da UFOP. Número da licença: 3934300882419.pt_BR
dc.identifier.doihttps://doi.org/10.1016/j.carbon.2015.09.099-
Appears in Collections:DEFIS - Artigos publicados em periódicos

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