Shape Dependent Structural and Electronic Properties of ZnO Nanostructures
Here we present an ab-initio study of structural and electronic properties of ZnO molecules optimized in two different geometries viz. 3D ZnO-Cage Like structure and a planer ZnO nanoribbon (ZNR) structure. The whole environment was set in local density approximation correlation function (LDA) under density functional theory (DFT). A noticeable difference in the band gap and consequent electronic properties of the ZnO-Cage like structure with respect to ZNR is observed. The study reveals new possibilities for the fabrication of ZnO nanostructures with controlled electronic properties through shape dependent structural reconstructions
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Document Type: Research Article
Publication date: 01 September 2015
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