Integrated experimental and modeling study of ionic conductivity of scandia-stabilized zirconia thin films

Z. Q. Yu, R. Devanathan, W. Jiang, P. Nachimuthu, V. Shutthanandan, L. Saraf, C. M. Wang, S. V.N.T. Kuchibhatla, S. Thevuthasan

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    Abstract

    Scandia-stabilized zirconia films were epitaxially grown on sapphire (0001) substrates by oxygen-plasma-assisted molecular beam epitaxy. The cubic phase was found to exist over a wider dopant concentration range than previously observed (4.6-17.6 mol.% Sc2O3). The monoclinic phase was observed for dopant concentrations of 1.5 mol.% and 22.5 mol.%. An increase in the fraction of the monoclinic phase relative to the cubic phase decreased the ionic conductivity. The highest conductivity in the temperature range of 460-900 °C was observed for 9.9 mol.% Sc2O3. Atomistic computer simulations show that the observed composition dependence can be related to changes in migration barriers for O2- ion transport with Sc3+ substitution of Zr4+ ions.

    Original languageEnglish
    Pages (from-to)367-371
    Number of pages5
    JournalSolid State Ionics
    Volume181
    Issue number8-10
    DOIs
    Publication statusPublished - 29 Mar 2010

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    Keywords

    • Atomistic simulation
    • Ionic conductivity
    • MBE
    • RBS
    • Sc doping
    • TEM
    • XRD
    • ZrO thin films

    ASJC Scopus subject areas

    • Chemistry(all)
    • Materials Science(all)
    • Condensed Matter Physics

    Cite this

    Yu, Z. Q., Devanathan, R., Jiang, W., Nachimuthu, P., Shutthanandan, V., Saraf, L., Wang, C. M., Kuchibhatla, S. V. N. T., & Thevuthasan, S. (2010). Integrated experimental and modeling study of ionic conductivity of scandia-stabilized zirconia thin films. Solid State Ionics, 181(8-10), 367-371. https://doi.org/10.1016/j.ssi.2010.01.024