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Molecular dynamics study of bamboo-like carbon nanotube nucleation

Journal article
Authors Feng Ding
Kim Bolton
Arne Rosen
Published in JOURNAL OF ELECTRONIC MATERIALS
Volume 35
Issue 2
Pages 207-210
ISSN 0361-5235
Publication year 2006
Published at Department of Physics (GU)
Pages 207-210
Language en
Keywords bamboo-like carbon nanotube; molecular dynamics simulation; vapor-liquid-solid model
Subject categories Physical Sciences

Abstract

Molecular dynamics (MD) simulations based on an empirical potential energy surface were used to study the nucleation of bamboo-like carbon nanotubes (BCNTs). The simulations reveal that inner walls of the bamboo structure start to nucleate at the junction between the outer nanotube wall and the catalyst particle. In agreement with experimental results, the simulations show that BCNTs nucleate at higher dissolved carbon concentrations (i.e., feedstock pressures) than those where nonbamboo-like carbon nanotubes are nucleated.

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