Stability of C-60 chains: molecular dynamics simulations

Malcioglu O. B. , Erkoc M.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING, vol.23, no.4, pp.367-371, 2005 (SCI-Expanded) identifier identifier identifier


A linearly aligned structure of three C-60 fullerene, interconnected by two benzorods of same size, have been investigated under heat treatment. The overall structure resembles a section of a beaded string. Nine different lengths of benzorods have been considered, and the effect on the thermal stability have been investigated by means of molecular dynamics method. It has been found that the structure is thermally stable up to elevated temperatures, and the linear alignment of the structure is persistent, up to the temperature of decomposition. (C) 2004 Elsevier Inc. All rights reserved.