Indexed by:期刊论文

Date of Publication:2018-01-01

Journal:MOLECULAR SIMULATION

Included Journals:SCIE、EI

Volume:44

Issue:8

Page Number:648-652

ISSN No.:0892-7022

Key Words:Molecular dynamics simulation; carbon nanotube; platinum nanowires

Abstract:The interaction between the carbon nanotubes (CNTs) and platinum (Pt) nanowires (NWs) was investigated using forced field-based molecular dynamics (MD) simulations. Our results display that the Pt NW can induce the self-assembly of the CNTs to form a shell-core structure, this is because of the van der Waals interaction and the offset face-to-face - stacking interaction. The diameter of the CNT plays a major role in the formation of shell-core structure. Furthermore, the position of the CNT on the Pt NW also affects the formation of shell-core configuration, whereas the cross section of the NWs has a negligible effect on the fabrication process. Moreover, the interaction between multi-wall carbon nanotube and Pt nanowires was also discussed in detail, it is worth noting that the formation conformation of the CNT is also much more stable.