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Formulae are derived for the calculation of geometrical characteristics of polygonal toroidal frameworks used to model helicoidal nanotubes, and some structural defects associated with these models are explained. Although the construction of both single-shell and multi-shell toroidal structures seems possible, that a of series of coaxial helical or pseudo-helical shells separated by the same distance...
A (6, 12) Lennard-Jones formulation is used to evaluate the enthalpy of formation of multilayered coaxial or scroll-like carbon nanotubes. The role of various parameters—such as interlayer spacing, value of the innermost radius, number of layers—is examined. Most of the nanotubes examined turn out to be metastable, with a small but positive heat of formation.
The geometrical conditions pertaining to closure, helicity, and interlayer distance between successive layers with circular cross-sections in carbon tubules (nanotubes) have been examined. Both the intralayer length of the C-C bonds and the interlayer distance between successive layers must vary with the radius of the layers. The division into groups of the sheets in nanotubes is found to be due...
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