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

JH Zhao and JW Jiang and Y Jia and WL Guo and T Rabczuk, CARBON, 57, 108-119 (2013).

DOI: 10.1016/j.carbon.2013.01.041

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. (C) 2013 Elsevier Ltd. All rights reserved.

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