Investigating interfacial contact configuration and behavior of single-walled carbon nanotube-based nanodevice with atomistic simulations

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journal

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Author(s)

  • Jianlei Cui
  • Jianwei Zhang
  • Xuesong Mei
  • Wenjun Wang
  • Xinju Yang
  • Hui Xie
  • Lijun Yang
  • Yang Wang

Detail(s)

Original languageEnglish
Article number110
Journal / PublicationJournal of Nanoparticle Research
Volume19
Issue number3
Publication statusPublished - 1 Mar 2017

Abstract

Carbon nanotubes (CNTs), including single-walled carbon nanotubes (SWNTs) and multi-walled carbon nanotubes (MWNTs), are considered to be the promising candidates for next-generation interconnects with excellent physical and chemical properties ranging from ultrahigh mechanical strength, to electrical properties, to thermal conductivity, to optical properties, etc. To further study the interfacial contact configurations of SWNT-based nanodevice with a 13.56-Å diameter, the corresponding simulations are carried out with the molecular dynamic method. The nanotube collapses dramatically into the surface with the complete collapse on the Au/Ag/graphite electrode surface and slight distortion on the Si/SiO2 substrate surface, respectively. The related dominant mechanism is studied and explained. Meanwhile, the interfacial contact configuration and behavior, depended on other factors, are also analyzed in this article.

Research Area(s)

  • Atomistic simulation, Carbon nanotubes, Collapse, Interfacial contact, Molecular dynamics

Citation Format(s)

Investigating interfacial contact configuration and behavior of single-walled carbon nanotube-based nanodevice with atomistic simulations. / Cui, Jianlei; Zhang, Jianwei; He, Xiaoqiao; Mei, Xuesong; Wang, Wenjun; Yang, Xinju; Xie, Hui; Yang, Lijun; Wang, Yang.

In: Journal of Nanoparticle Research, Vol. 19, No. 3, 110, 01.03.2017.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journal