Conference of the NATO-Advanced-Study-Institute on Nanoengineered Nanofibrous Materials, Belek-Antalya, Turkey, 1 - 12 September 2003, vol.169, pp.219-223
Structural stability of empty and endohedrally doped carbon nanocapsules have been investigated by performing molecular-dynamics computer simulations. Calculations have been realized by using an empirical many-body potential energy function for carbon. It has been found that empty carbon nanocapsules are relatively more stable with respect to endohedrally doped ones against heat treatment.