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Local Atomic and Electronic Structure in Nanocrystalline Sn-Doped Anatase TiO2

Weibel, Alicia and Bouchet, Renaud and Savin, S. L. P. and Chadwick, A. V. and Lippens, P. E. and Womes, M. and Knauth, Philippe Local Atomic and Electronic Structure in Nanocrystalline Sn-Doped Anatase TiO2. (2006) ChemPhysChem, 7 (11). 2377-2383. ISSN 1439-4235

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Official URL: http://dx.doi.org/10.1002/cphc.200600370


Tin-doped anatase TiO2 nanopowders and nanoceramics with particle sizes between 12 and 30 nm are investigated by X-ray absorption fine-structure (EXAFS) and Mössbauer spectroscopies. Furthermore, ab initio calculations based on the density functional theory are performed to analyze changes in the electronic structure due to Sn doping. The three approaches consistently show that Sn 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 of defect states or bandgap changes with Sn doping.

Item Type:Article
Additional Information:Thanks to John Wiley & Sons editor. The definitive version is available at http://www3.interscience.wiley.com The original PDF of the article can be found at ChemPhysChem website : http://www3.interscience.wiley.com/journal/72514732/home
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:
Deposited On:18 Jun 2009 08:18

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