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Please use this identifier to cite or link to this item: http://hdl.handle.net/2307/608

Title: Ab initio investigation of the structural and electronic properties of tio2 nanostructures
Authors: Iacomino, Amilcare
Tutor: Evangelisti, Florestano
Issue Date: 20-Jan-2010
Publisher: Università degli studi Roma Tre
Abstract: In the first part of this thesis, we have investigated the structural and electronic properties of anatase TiO2 nanocrystals (NCs) through ab initio calculations based on the Density Functional Theory (DFT). The dependence of the structural properties (e.g., NC volume variations) on the surface chemistry is discussed by considering two different surface coverages (dissociated water and hydrogens). Both prevent a pronounced reconstruction of the surface, thus ensuring a better crystalline organi
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URI: http://hdl.handle.net/2307/608
Appears in Collections:Dipartimento di Fisica 'Edoardo Amaldi'
T - Tesi di dottorato

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