Author:
Yao Hong-Ying ,Gu Xiao ,Ji Min ,Zhang Di-Er ,Gong Xin-Gao ,
Abstract
The adsorption properties of metal atoms on the hydroxyl SiO2 surface have been studied by using first-principles calculation. It is found that In and Ga atoms are weekly bound to the surface, while Fe, Co and Ni atoms are bound to both Si and O atoms with strong chemical bonds. Potential energy surface and diffusion barrier calculations show that In (Ga) can easily diffuse on the surface because of a rather small diffusion barrier(0.1—0.3 eV). The obtained results are in close agreement with recent nano- synthesis experimental results.
Publisher
Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
Subject
General Physics and Astronomy
Cited by
5 articles.
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