Size and Dimension Dependent Vacancy Formation Energy of Nanosolids
A model for size dependent vacancy formation energy of nanosolids (nanoparticles, nanowires and nanofilms) has been developed by the consideration of their surface free energy. It is found that the vacancy formation energy of nanosolids decreases with the decrease of size. The relative variation of vacancy formation energy of nanoparticles, nanowires and nanofilms to bulk value at specified size follows 3:2:1. Furthermore, vacancy formation energy of nanosolids changes linearly with the reciprocal of size. The present results agree well with the predictions of BOLS and ECN theory.
S. Y. Xiong et al., "Size and Dimension Dependent Vacancy Formation Energy of Nanosolids", Advanced Materials Research, Vols. 268-270, pp. 930-933, 2011