Hostname: page-component-586b7cd67f-g8jcs Total loading time: 0 Render date: 2024-11-26T05:46:28.479Z Has data issue: false hasContentIssue false

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
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
Get access

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.

Type
Research Article
Copyright
Copyright © Materials Research Society 2006

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1 Serpone, N., Lawless, D., Disdier, J. and Herrmann, J.-M., Langmuir, 10, 643 (1994).Google Scholar
2 Dvoranova, D., Brezova, V., Mazur, M. and Malati, M. A., Appl. Catalysis B 37, 91 (2002).Google Scholar
3 Radecka, M., Zakrzewska, K., Wierzbicka, M., Gorzkowska, A. and Komornicki, S., Solid State Ionics, 157, 379 (2003).Google Scholar
4 Sharma, R. K., M. C. Bhatnagar and Sharma, G. L., Sensors and Actuators B 45, 209 (1997).Google Scholar
5 Banfield, J. F., Bischoff, B. L. and Anderson, M. A., Chem. Geology 110, 211 (1993).Google Scholar
6 Bischoff, B. L., Ph. D. Thesis, University of Wisconsin-Madison, 1992.Google Scholar
7 Hammersley, A. P., ESRF Internal Report, ESRF98HA01T, FIT2D V9.129 Reference Manual V3.1, 1998.Google Scholar
8 Hammersley, A. P., Svensson, S. O., Hanfland, M., Fitch, A. N. and Hausermann, D., High Pressure Research 14, 235, (1996).Google Scholar
9 Gilbert, B., Huang, F., Zhang, H., Waychunas, G.W. and Banfield, J. F., Science, 305, 651 (2004).Google Scholar
10 Billinge, S. J. L. in Local Structure from Diffraction, edited by Billinge, S. J. L. and Thorpe, M. F., (Plenum Press, New York and London, 1998) pp.137156.Google Scholar
11 Proffen, Th. and Billinge, S. J. L., PDFFIT v1.3 User Guide, July 15, 2003.Google Scholar
12 Proffen, Th. and Billinge, S. J. L., J. Appl. Cryst. 32, 572(1999).Google Scholar
13 Liu, Z. L., Cui, Z. L. and Zhang, Z. K., Mater. Char. 54, 123 (2005).Google Scholar