On the size dependence of the surface energy of metal nanoclusters

Аннотация

The many-particle tight-binding potential has been employed to calculate the specific surface energy of icosahedral nanoclusters of transition metals. The equimolecular surface has been considered as the dividing surface. The surface energy has been shown to linearly increase with particle size at nanocluster radii smaller than five radii of the first coordination sphere. As the nanocluster radius is further enlarged, the surface energy passes through a maximum and approaches an asymptotic macroscopic value. The coefficients of proportionality between the specific surface energy and nanocluster radius have been found and compared with the data available from the literature.