Bond Passivation Model for Carbon Nanoparticle Growth.

摘要

The modified three parameter phenomenological model of the energetics of the carbon cluster growth is applied to the pure carbon nanocluster formation process as well as to the formation of clusters with the passivated bonds. The results in these two cases are distinct in principle. The closed spherical cluster with no dangling bonds is always energetically favourable in the original model. While the relative instability region of spheres in respect with the tubes (and moreover, with the planar graphite) opens at some critical bond softening (the analytical formulas are presented).