Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/242420
Type: Artigo
Title: Linear carbon chains under high-pressure conditions
Author: Andrade, N. F.
Aguiar, A. L.
Kim, Y. A.
Endo, M.
Freire, P. T. C.
Brunetto, G.
Galvão, D. S.
Dresselhaus, M. S.
Souza Filho, A. G.
Abstract: A 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.
A 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.
Subject: Carbono
Dinâmica molecular
Nanotubos de carbono de paredes multiplas
Country: Estados Unidos
Editor: American Chemical Society
Citation: Linear Carbon Chains Under High-pressure Conditions. Amer Chemical Soc, v. 119, p. 10669-10676 MAY-2015.
Rights: fechado
Identifier DOI: 10.1021/acs.jpcc.5b00902
Address: https://pubs.acs.org/doi/10.1021/acs.jpcc.5b00902
Date Issue: 2015
Appears in Collections:IFGW - Artigos e Outros Documentos

Files in This Item:
File SizeFormat 
000354912200058.pdf4.23 MBAdobe PDFView/Open


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.