Journal of Applied Crystallography

Volume 46, Part 6 (December 2013)

short communications

J. Appl. Cryst. (2013). 46, 1874-1876    [ doi:10.1107/S0021889813025363 ]

Heterogeneity in iron-doped titania flower-like nanocrystalline aggregates: detection of brookite and anatase/rutile size-strain modeling

A. Kremenovic, M. Grujic Brojcin, A.-M. Welsch and P. Colomban

Abstract: Detailed investigations of Raman spectra and X-ray powder diffraction (XRPD) patterns of rutile-rich and anatase/brookite-poor flower-like nanocrystalline aggregates of Fe-doped TiO2 shed new light with regard to its microstructure and heterogeneity. The brookite phase has been detected from the Raman spectra, and the presence of different phases in pure and doped samples is discussed. The phonon confinement model (PCM) was applied to Raman spectra, and the Warren-Averbach and simplified integral breadth methods were applied to XRPD patterns in order to obtain information about the nanocrystallite size and strain of rutile and anatase. The applied methods (i.e. XRPD size-strain analysis and the PCM fit of Raman spectra), when used in combination and together with other experimental techniques like high-resolution transmission electron microscopy, could be very useful in nanomaterial characterization.

Keywords: anatase; rutile; brookite; Raman spectroscopy; X-ray powder diffraction; phonon confinement model.

pdfdisplay filedownload file

Portable Document Format (PDF) file
[ doi:10.1107/S0021889813025363/nb5080sup1.pdf ]
Experimental section, tables and figures.


To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster