Lippens, P. E. and Chadwick, A. V. and Weibel, Alicia and Bouchet, Renaud and Knauth, Philippe Structure and Chemical Bonding in Zr-Doped Anatase TiO2 Nanocrystals. (2007) Journal of Physical Chemistry C, 112 (1). 43-47. ISSN 1932-7447
![[img]](https://oatao.univ-toulouse.fr/style/images/fileicons/application_pdf.png) |
(Document in English)
PDF (Author's version) - Depositor and staff only - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader 115kB |
Official URL: http://dx.doi.org/10.1021/jp075898u
Abstract
Zirconium-doped anatase TiO2 nanopowders and nanoceramics with particle sizes between 12 and 30 nm were investigated by EXAFS spectroscopy. Furthermore, ab initio calculations based on density functional theory were performed to analyze changes in the electronic structure due to Zr doping. Zr is dissolved on substitutional bulk sites with a slight increase of the bond lengths of the inner coordination shells. The Debye- Waller factors show that the nanocrystallites are highly ordered. There is no indication for defect states or band gap changes with Zr doping.
| Item Type: | Article |
|---|---|
| Additional Information: | Thanks to American Chemical Society editor. The definitive version is available at http://pubs.acs.org The original PDF of the article can be found at Journal of Physical Chemistry C website : http://pubs.acs.org/journal/jpccck |
| Audience (journal): | International peer-reviewed journal |
| Uncontrolled Keywords: | |
| Institution: | Other partners > Université de Provence - Aix-Marseille I (FRANCE) Other partners > Université de Montpellier 2 (FRANCE) French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE) Other partners > University of Kent (UNITED KINGDOM) |
| Laboratory name: | Institut Charles Gerhardt - ICG (Montpellier, France) - Agrégats, Interfaces, Matériaux pour l’Énergie - AIME School of Physical Sciences (Canterbury, UK) Matériaux divisés, revêtements, électrocéramiques - MADIREL (Marseille, France) |
| Statistics: | download |
| Deposited By: | Celine Cabaup |
| Deposited On: | 18 Jun 2009 08:02 |
Repository Staff Only: item control page
