LINKAGE INTERNATIONAL FELLOWSHIP -Molecular Modelling of Growth Mechanisms and Electronic Properties of Nanostructured Metal-Oxides (2006)
Abstract
This project aims to investigate the mechanism of metal atoms collision with metal oxides nanoclusters using molecular dynamics simulations combined with first-principles calculations, the corresponding issues such as stable configurations, electronic structures and optical properties of size-confined systems will be comprehensively studied. The successful completion of this project is expected to lead to the fundamental understanding of the growth mechanism and functionality of metal oxides nanoparticles, and new materials for photonic devices, which can be utilized in blood immunoassay, optically triggered drug delivery and targeted photothermal destruction of cancel cells, etc.
