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Influence of quantum confinement, hydrostatic pressure and critical Zr dopant concentration on the Raman vibrational properties of Zr doped anatase TiO2 nanoparticles
FOI, Umeå.
Uppsala University, Disciplinary Domain of Science and Technology, Technology, Department of Engineering Sciences, Solid State Physics.
2011 (English)In: Journal of Raman Spectroscopy, ISSN 0377-0486, E-ISSN 1097-4555, Vol. 42, no 11, 2026-2035 p.Article in journal (Refereed) Published
Abstract [en]

We present a comprehensive analysis of the Ramanspectra of pure and zirconium-doped anatase TiO2 nanoparticles. To accountfor the wavenumber shifts of the Eg(ν6)mode as a function of particle size (L) and dopant concentration (x), a modification of the standard phonon confinement model (PCM) is introduced, which takes into account the contribution of surface stress by means of the Laplace–Young equation. Together with X-ray diffraction (XRD) and transmission electronmicroscopy data, our analysis shows that the surface stress contribution to the observed blue shift of the Ramanwavenumber is of the same magnitude as the spatial phonon confinement effect. Annealing experiments show that Zr-doped nanoparticles exhibit retarded grain growth and delayed anatase-to-rutile phase transition by up to 200 K compared to pure anatase TiO2. XRD shows that Zr doping leads to a unit cell expansion of the anatase structure. Applying themodified PCM to the x-dependent variations of the Eg(ν6) Raman mode, the mode-Gr ¨ uneisen parameter is found to increase abruptly at x > 0.07 with a concomitant mode softening. This coincides with the x range over which the Zr cations are reported to be displaced from their position in the tetrahedral lattice, and where Zr precipitation occurs upon annealing. The results have implications for the interpretation of Raman spectra of ionic metal oxide nanoparticles and how these are modified upon cation doping

Place, publisher, year, edition, pages
John Wiley & Sons, 2011. Vol. 42, no 11, 2026-2035 p.
Keyword [en]
TiO2 nanoparticles, Raman spectroscopy, phonon confinement, surface stress; zirconium doping
National Category
Condensed Matter Physics Engineering and Technology
Research subject
Physics with spec. in Atomic, Molecular and Condensed Matter Physics; Engineering Science with specialization in Solid State Physics
Identifiers
URN: urn:nbn:se:uu:diva-163058DOI: 10.1002/jrs.2956ISI: 000297509800017OAI: oai:DiVA.org:uu-163058DiVA: diva2:462598
Available from: 2011-12-07 Created: 2011-12-07 Last updated: 2017-12-08Bibliographically approved

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Österlund, Lars

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