Size dependence of the surface energy and surface tension of metal nanoparticles

详细

The specific surface energy of small nanoclusters of transition fcc metals is calculated using the many-particle tight-binding potential and its earlier analog, the Gupta potential. The calculations are performed using both a theoretical model and computer simulations based on the Monte Carlo method. The equimolecular surface is considered as the dividing surface. It is found that at short radii of the nanoclusters, the surface energy and surface tension grow linearly as the particle radius increases. The values of the coefficient of proportionality in the dependence of the specific surface energy on the radius of a nanocluster are compared to the available literature data, experimental and otherwise.