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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Boldyreva, Elena V. / Friese, Karen / Huppertz, Hubert / Jahn, Sandro / Tiekink, E. R. T.


IMPACT FACTOR 2018: 1.090
5-year IMPACT FACTOR: 2.159

CiteScore 2018: 1.47

SCImago Journal Rank (SJR) 2018: 0.892
Source Normalized Impact per Paper (SNIP) 2018: 0.722

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2196-7105
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Volume 222, Issue 7

Issues

High-temperature neutron powder diffraction study of scandia/nitrogen co-doped zirconia

Martin Lerch / Hans Boysen / T. Christoph Rödel / Ines Kaiser-Bischoff / Markus Hoelzel / Anatoliy Senyshyn
Published Online: 2009-09-25 | DOI: https://doi.org/10.1524/zkri.2007.222.7.335

The structural evolution of a scandia/nitrogen co-doped zirconia sample, Sc0.148Zr0.852O1.72N0.14, was investigated by neutron powder diffraction up to 1700 °C. At ambient temperature it has an anion-deficient fluorite related β′-type structure with ordered anion vacancies (space group R-3, a = 9.5611 Å, c = 17.5020 Å). With increasing temperature a gradual transformation into a cubic fluorite-type phase (Fm3m) with randomly distributed vacancies takes place which is accompanied by an enrichment of Sc in the rhombohedral phase and completed at ∼1050°C. At higher temperatures probability densities and single particle potentials of the anions were determined. The incorporation of nitrogen into the scandia-zirconia material significantly increased the activation energy for anion migration to values above 1 eV. The anions migrate predominantly along the <100>-directions to neighbouring sites.

Keywords: Zirconia; Neutron diffraction; Solid electrolytes; Powder diffraction structure analysis

About the article

Received: 2007-12-18

Accepted: 2007-02-03

Published Online: 2009-09-25

Published in Print: 2007-07-01


Citation Information: Zeitschrift für Kristallographie, Volume 222, Issue 7, Pages 335–340, ISSN (Print) 0044-2968, DOI: https://doi.org/10.1524/zkri.2007.222.7.335.

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[1]
M. Hoelzel, A. Senyshyn, R. Gilles, H. Boysen, and H. Fuess
Neutron News, 2007, Volume 18, Number 4, Page 23
[2]
Martin Lerch, Jürgen Janek, Klaus D. Becker, Stefan Berendts, Hans Boysen, Thomas Bredow, Richard Dronskowski, Stefan G. Ebbinghaus, Martin Kilo, Marck W. Lumey, Manfred Martin, Christoph Reimann, Eberhard Schweda, Ilia Valov, and Hans D. Wiemhöfer
Progress in Solid State Chemistry, 2009, Volume 37, Number 2-3, Page 81
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Stefanie Meyer, Eberhard Schweda, Neil Jesus Martinez Meta, Hans Boysen, Markus Hoelzel, and Thomas Bredow
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