A theoretical analysis of cohesive energy between carbon nanotubes, graphene and substrates

Junhua Zhao, Jin Wu Jiang, Yue Jia, Wanlin Guo, Timon Rabczuk

Research output: Contribution to journalArticle

61 Citations (Scopus)

Abstract

Explicit solutions for the cohesive energy between carbon nanotubes, graphene and substrates are obtained through continuum modeling of the van der Waals interaction between them. The dependence of the cohesive energy on their size, spacing and crossing angles is analyzed. Checking against full atom molecular dynamics calculations and available experimental results shows that the continuum solution has high accuracy. The equilibrium distances between the nanotubes, graphene and substrates with minimum cohesive energy are also provided explicitly. The obtained analytical solution should be of great help for understanding the interaction between the nanostructures and substrates, and designing composites and nanoelectromechanical systems.

Original languageEnglish
Pages (from-to)108-119
Number of pages12
JournalCarbon
Volume57
DOIs
Publication statusPublished - 2013 Jun 1
Externally publishedYes

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Carbon Nanotubes
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Substrates
NEMS
Nanotubes
Molecular dynamics
Large scale systems
Nanostructures
Atoms

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

A theoretical analysis of cohesive energy between carbon nanotubes, graphene and substrates. / Zhao, Junhua; Jiang, Jin Wu; Jia, Yue; Guo, Wanlin; Rabczuk, Timon.

In: Carbon, Vol. 57, 01.06.2013, p. 108-119.

Research output: Contribution to journalArticle

Zhao, Junhua ; Jiang, Jin Wu ; Jia, Yue ; Guo, Wanlin ; Rabczuk, Timon. / A theoretical analysis of cohesive energy between carbon nanotubes, graphene and substrates. In: Carbon. 2013 ; Vol. 57. pp. 108-119.
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