Stability of C60 chains: molecular dynamics simulations.
A linearly aligned structure of three C60 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.
Bariş Malcioğlu
Osman
O
Department of Physics, Middle East Technical University, 06531 Ankara, Turkey.
Erkoç
Sakir
S
D037741:Fullerenes / Q000737:chemistry*; D006358:Hot Temperature; D008958:Models, Molecular; D015394:Molecular Structure; D013816:Thermodynamics
D037741:Fullerenes; C069837:fullerene C60