Eur. Phys. J. D 43, 185-189 (2007)
https://doi.org/10.1140/epjd/e2007-00109-6

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

¹ Physics Department, Göteborg University, 412 96 Göteborg, Sweden
² ME&MS Department, Rice University, Houston, TX, 77005, USA
³ Honda Research Institute USA Inc., Columbus, OH, 43212, USA
⁴ ME&MS, Duke University, Durham, NC, 27708, USA
⁵ School of Engineering, University College of Borås, 501 90 Borås, Sweden

Corresponding author: ^a haiming.duan@physics.gu.se

Received: 27 July 2006
Revised: 29 September 2006
Published online: 24 May 2007

Abstract

Molecular dynamics simulations were used to study the initial growth of single-walled carbon nanotubes (SWNTs) on a supported iron cluster (Fe₅₀). 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.