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Campo Dublin Core | Valor | Idioma |
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dc.contributor.author | Oliveira, Alan Barros de | - |
dc.contributor.author | Chacham, Helio | - |
dc.contributor.author | Soares, Jaqueline dos Santos | - |
dc.contributor.author | Manhabosco, Taíse Matte | - |
dc.contributor.author | Resende, Hélio Fernando Verona de | - |
dc.contributor.author | Batista, Ronaldo Junio Campos | - |
dc.date.accessioned | 2016-10-03T18:21:40Z | - |
dc.date.available | 2016-10-03T18:21:40Z | - |
dc.date.issued | 2016 | - |
dc.identifier.citation | OLIVEIRA, 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.issn | 0008-6223 | - |
dc.identifier.uri | http://www.repositorio.ufop.br/handle/123456789/7019 | - |
dc.description.abstract | We 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.iso | en_US | pt_BR |
dc.rights | aberto | pt_BR |
dc.title | Vibrational G peak splitting in laterally functionalized single wall carbon nanotubes : theory and molecular dynamics simulations. | pt_BR |
dc.type | Artigo publicado em periodico | pt_BR |
dc.rights.license | O periódico Carbon concede permissão para depósito deste artigo no Repositório Institucional da UFOP. Número da licença: 3934300882419. | pt_BR |
dc.identifier.doi | https://doi.org/10.1016/j.carbon.2015.09.099 | - |
Aparece nas coleções: | DEFIS - Artigos publicados em periódicos |
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