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Initial growth of single-walled carbon nanotubes on supported iron clusters: a molecular dynamics study

Journal article
Authors Haiming Duan
Feng Ding
Arne Rosen
Avetik Harutyunyan
Toshio Tokune
S. Curtarolo
Kim Bolton
Published in EUROPEAN PHYSICAL JOURNAL D
Volume 43
Issue 1-3
Pages 185-188
ISSN 1434-6060
Publication year 2007
Published at Department of Physics (GU)
Pages 185-188
Language en
Keywords CHEMICAL-VAPOR-DEPOSITION; TRANSITION-METALS; ORIENTATION; NUCLEATION; CATALYSTS; SURFACE; MODEL; LONG; CVD
Subject categories Physical Sciences, Atom and Molecular Physics and Optics

Abstract

Molecular dynamics simulations were used to study the initial growth of single-walled carbon nanotubes (SWNTs) on a supported iron cluster (Fe-50). Statistical analysis shows that the growth direction of SWNTs becomes more perpendicular to the substrate over time due to the weak interaction between carbon nanotube and the substrate. The diameter of the nanotube also increases with the simulation time and approaches the size of the supported iron cluster.

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