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Type: Artigo de periódico
Title: Single wall carbon nanotubes polymerization under compression: An atomistic molecular dynamics study
Author: Braga, SF
Galvao, DS
Abstract: Recently, it was reported experimental observations of crosslinking between carbon nanotubes (CNTs) under pressure. Similarly to CNT growth formation the details of these polymerization processes are still unclear. In this work, we report a molecular dynamics simulation of the polymerization of a bundle of single-wall carbon nanotubes under compression using Brenner reactive potentials. Our results show that for small tube diameters extensive crosslinking formation can occur. For larger tube diameter, we obtained the first theoretical evidences that scroll-like structures (recently experimentally obtained) can be formed from SWCNTs. (c) 2005 Elsevier B.V. All rights reserved.
Country: Holanda
Editor: Elsevier Science Bv
Rights: fechado
Identifier DOI: 10.1016/j.cplett.2005.11.115
Date Issue: 2006
Appears in Collections:Unicamp - Artigos e Outros Documentos

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