期刊
ACS NANO
卷 4, 期 10, 页码 5937-5945出版社
AMER CHEMICAL SOC
DOI: 10.1021/nn100731u
关键词
carbon nanotubes; van der Waals interaction; Lennard-Jones potential; smeared-out approximation; equilibrium distance
The analytical expressions for the van der Waals potential energy and force between two crossed carbon nanotubes are presented. The Lennard-Jones potential between pairs of carbon atoms and the smeared-out approximation suggested by L. A. Girifalco (J Phys. Chem. 1992, 96, 858) were used. The exact formula is expressed in terms of rational and elliptical functions. The potential and force for carbon nanotubes were calculated. The uniform potential curves for single- and multiwall nanotubes were plotted. The equilibrium distance, maximal attractive force, and potential energy have been evaluated.
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