Quantitative analysis of growth process of carbon clusters C n ( n=2,3,4)

Abstract

The nucleation and growth process of carbon clusters C n ( n=2,3,4) have been quantitatively analyzed by using the Boltzmann factor. The smallest stable nucleus C 2 first grows from vapors, and an atom adsorbs to it, and C 2 grows to an unstable C 3. This becomes the stable structure with minimum total energy from stretching and bending motions. Both of the activation energies of these motions and the adsorption energies of the atom adsorbed to the clusters have been calculated by the density functional theory. The results have shown that almost all C 3 become linear in structure. In the same way, the growth of C 4 has been analyzed, and it is shown that the majority of C 4 come to the stable trans-bent structure and the minority to the cis-bent and the linear structures.