An Idea to Produce Composite Nanowires with Copper Nanoparticles Filling Into Carbon Nanotubes

作者：Tian, Li-Xia; Yang, Chuan-Lu^*; Wang, Mei-Shan; Ma, Xiao-Guang

来源：Journal of Computational and Theoretical Nanoscience, 2011, 8(11): 2307-2312.

DOI：10.1166/jctn.2011.1960

• Single-Walled Carbon Nanotubes
• Double-Walled Carbon Nanotubes
• Copper Nanoparticle
• Filling

A new idea for producing composite nanowires, with filling the copper nanoparticles into single-walled carbon nanotube (SWCNT) or double-walled carbon nanotube, is proposed. Using force-field molecular dynamics (MD) simulations, we investigate the effect of the types of carbon nanotubes on the filling processes, and the shape of the composite nanowires is affected by diameters of SWCNTs. The MD simulations show that the present composite nanowire is still stable at 1000 K of temperature. The electrical conductivity of the present nanowire is confirmed by the density of state and band structure from the first principles density functional theory. It is expected that a new type of composite nanowires can be manufactured with further investigation.

• 出版日期2011-11
• 单位鲁东大学