The effect of zirconia content on the structure of zirconia-silica xerogels as determined by x-ray and neutron diffraction and Zr K-edge EXAFS and XANES

Mountjoy, Gavin and Anderson, Ruth and Newport, Robert J. and Smith, Mark E. (2000) The effect of zirconia content on the structure of zirconia-silica xerogels as determined by x-ray and neutron diffraction and Zr K-edge EXAFS and XANES. Journal of Physics: Condensed Matter, 12 (15). pp. 3505-3519. ISSN 0953-8984. (Full text available)

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http://dx.doi.org/10.1088/0953-8984/12/15/301

Abstract

We present combined x-ray and neutron diffraction, and extended x-ray absorption fine structure (EXAFS) and x-ray absorption near edge structure (XANES) results on a single set of (ZrO2)(x)(SiO2)(1-x) xerogel samples. In these samples, there is improved homogeneity of Zr compared to our previous study, due to greater dilution of the precursor Zr n-propoxide in propan-1-ol. Structural parameters obtained from model fitting of the diffraction and EXAFS data are compared with those in reference compounds. A qualitative comparison df XANES spectra is also made. The results show that for x greater than or equal to 0.3 there is phase separation of ZrO2 and the Zr environment is similar to that in monoclinic ZrO2 and Zr hydroxide. For x less than or equal to 0.2 there is no phase separation, the SiO2 network is distorted and the Zr coordination is similar to that in Zr n-propoxide, with some Zr-Zr clustering.

Item Type: Article
Subjects: Q Science
Divisions: Faculties > Science Technology and Medical Studies > School of Physical Sciences > Functional Materials Group
Depositing User: J.M. Smith
Date Deposited: 08 May 2009 09:58
Last Modified: 29 Apr 2014 14:40
Resource URI: http://kar.kent.ac.uk/id/eprint/15922 (The current URI for this page, for reference purposes)
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