Disintegration and formation of fullerene (C60)

Abstract

The disintegration and formation of the C60 fullerene are studied using molecular dynamics simulations. The interactions between carbon atoms are described with a tight-binding potential model that yields structural and vibrational properties of the molecule in good agreement with experimental data. The simulations show that C60 is stable against spontaneous disintegration up to 5000 K. The cage formation process is also observed by cooling and compressing 60 carbon atoms from the gas phase.