[14a-2U-1~12] 17.1 Growth technology

[14a-2U-4] Growth Simulation of Defect-Free Single-Walled Carbon Nanotubes by Molecular Dynamics Method

〇Ryo Yoshikawa¹, Yukai Takagi¹, Shohei Chiashi¹, Shigeo Maruyama^1,2 (1.Univ. of Tokyo, 2.AIST)

Keywords:single-walled carbon nanotubes,molecular dynamics method

Molecular dynamics (MD) simulations are often employed in order to analyze the growth mechanism of single-walled carbon nanotubes (SWCNTs) on atomic scale. However, it was difficult to discuss chirality and growth mechanism of SWCNTs in MD simulation because of their defects. In this study, we tuned the conditions of MD simulations and succeeded in the growth of SWCNTs with defect-free wall parts. We made the development view of the SWCNTs and assigned their chirality as (14, 1) and (9, 0). The simulation results indicate that the wall part grow as the kink runs along the zigzag edge.