Artículos de revistas
Single wall carbon nanotubes polymerization under compression: An atomistic molecular dynamics study
Registro en:
Chemical Physics Letters. Elsevier Science Bv, v. 419, n. 41794, n. 394, n. 399, 2006.
0009-2614
WOS:000235675000017
10.1016/j.cplett.2005.11.115
Autor
Braga, SF
Galvao, DS
Institución
Resumen
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. 419 41794 394 399