Journal of Physical Chemistry B, Vol.106, No.10, 2497-2501, 2002
Stability of metal chalcogenide nanotubes
An overview about the characteristic structure of metal chalcogenide nanotubes is given in this paper. On the basis of atomistic calculations, parameters for a model are derived, describing the stability of tubular structures. Especially the interplay between the strain energy in the tubes and the energy due to unsaturated (dangling) bonds in layer stripes and the role of the van der Waals interaction in multilayer stripes and tubes are discussed. In agreement with experimental observations it is shown that nanotubes with a diameter larger than about 6 nm are more stable than stripes of a corresponding width. The van der Waals interaction stabilizes multilayered stripes, leads to multiwalled nanotubes, and can explain the nonexistence of single-wall metal chalcogenide nanotubes.