Molecular Dynamics Study of Bamboo-like Carbon Nanotube Nucleation

Details Molecular Dynamics Study of Bamboo-like Carbon Nanotube Nucleation Molecular Dynamics Study of Bamboo-like Carbon Nanotube Nucleation

2006-07-30

arxiv.org/abs/cond-mat/0607798v1

J. Elec. Mat. 207-209 (2006)

Physics

Condensed Matter

Materials Science

Scientific paper

10.1007/BF02692437

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 non-bamboolike carbon nanotubes are nucleated.

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