화학공학소재연구정보센터
Thin Solid Films, Vol.640, 67-72, 2017
Modeling the effects of size and surface broken bond on surface energy of nanocrystals
Based on an analytical formulation for the size-dependent melting temperature, a simple thermodynamicmodel has been developed to describe the surface energy of nanocrystals gamma(D). The results show that, for face-centered cubic, body-centered cubic and hexagonal close packing metals, gamma(D) of nanocrystals/nanocavities decreases/increases as D drops. The effect of surface broken-bond number on gamma(D) has also been discussed. It is found that reducing the number of surface broken-bonds will slow down the decrease of gamma(D). For facets of nanocrystals with different broken-bond number, the difference in size-dependent surface bond contraction determines the variation intensity of surface energy. The model has also been used to describe gamma(D) of semiconductor Si nanocavities and bimetallic alloys nanocrystals. The predictions are in good agreement with the reported data and other theory model predictions. (C) 2017 Elsevier B.V. All rights reserved.