Molecular Dynamics Study of Bamboo-like Carbon Nanotube Nucleation

TL;DR

This study uses molecular dynamics simulations to investigate how bamboo-like carbon nanotubes nucleate, revealing that they start forming at specific junctions and require higher carbon concentrations than regular nanotubes.

Contribution

It provides new insights into the nucleation process of bamboo-like carbon nanotubes using MD simulations, aligning with experimental observations.

Findings

BCNTs nucleate at junctions between outer wall and catalyst

Higher carbon concentrations are needed for BCNT nucleation

Simulation results agree with experimental data

Abstract

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.