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WAXS and PDF-Based Analyses of Chromium Doping in Nanocrystalline Titania (Anatase and Brookite)

Published online by Cambridge University Press:  01 February 2011

Hengzhong Zhang ,
Benjamin Gilbert ,
Bin Chen  and
Jillian F. Banfield
Hengzhong Zhang
Affiliation:
[email protected], University of California Berkeley, Department of Earth & Planetary Science, 307 McCone Hall, Berkeley, CA, 94720, United States, 510 643 9120, 510 643 9980
Benjamin Gilbert
Affiliation:
[email protected], Lawrence Berkeley National Laboratory, Earth Science Division, 1 Cyclotron Road MS 90R1116, Berkeley, CA, 94720, United States
Bin Chen
Affiliation:
[email protected], University of California Berkeley, Department of Earth & Planetary Science, 307 McCone Hall, Berkeley, CA, 94720, United States
Jillian F. Banfield
Affiliation:
[email protected], University of California Berkeley, Department of Earth & Planetary Science, 307 McCone Hall, Berkeley, CA, 94720, United States
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Abstract

Chromium-doped (0.5-10 % Cr:Ti molar ratio) nanocrystalline titania (5–6 nm) prepared via sol-gel method was examined by synchrotron-based wide angle x-ray scattering (WAXS) for crystal structure determination. Atomic pair-distribution functions (PDF) for both raw and heat-treated samples were obtained by Fourier transforms of the WAXS data. The PDF data were fitted using structural models of nanocrystalline titania that considered phase compositions, lattice parameters, atomic positions and thermal factors. The unit cell of Cr-doped nanocrystalline titania expanded 1-2 % with respect to bulk titania as a consequence of the substitution of Ti by Cr and the generation of oxygen vacancies. We observed a lattice contraction after heat-treatment that may be caused by the redistribution of Cr atoms to nanoparticle surfaces during phase transformation and particle coarsening.

Keywords

nanostructuredopantsensor
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 915: Symposium R – Nanostructured Materials and Hybrid Composites for Gas Sensors and Biomedical Applications , 2006 , 0915-R07-02
Copyright
Copyright © Materials Research Society 2006

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