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Shape Dependent Structural and Electronic Properties of ZnO Nanostructures

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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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  • ADVANCED SCIENCE LETTERS is an international peer-reviewed journal with a very wide-ranging coverage, consolidates research activities in all areas of (1) Physical Sciences, (2) Biological Sciences, (3) Mathematical Sciences, (4) Engineering, (5) Computer and Information Sciences, and (6) Geosciences to publish original short communications, full research papers and timely brief (mini) reviews with authors photo and biography encompassing the basic and applied research and current developments in educational aspects of these scientific areas.
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