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Structural transformations of the La2−xPrxNiO4+δ system probed by high-resolution synchrotron and neutron powder diffraction

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Abstract

Compositions in the La2−xPrxNiO4+δ series offer an attractive balance of chemical stability and electrochemical performance for use as cathode materials in solid oxide fuel cells (SOFCs). A detailed crystallographic study of this system has been performed, combining both high resolution synchrotron and neutron powder diffraction data, in order to investigate structural details of the series as a function of composition, temperature and oxygen over-stoichiometry. The monoclinic structure (space group F2/m) of ambient temperature Pr-rich compositions for 1.0 < x ≤ 2.0 is discussed in terms of octahedra tilt arrangements and possible long-range structural modulations. In situ synchrotron diffraction experiments and TEM are employed to examine the role of temperature and interstitial oxygen on these structural distortions. With increasing La substitution, a region of mixed monoclinic and tetragonal phases is described for 0.5 ≤ x ≤ 1.0. La-Rich compositions are found to be single phase tetragonal (F4/mmm for 0 < x < 0.5) or orthorhombic (Fmmm for x = 0). Possible origins and electrochemical property consequences of the refined structural trends are considered.

Graphical abstract: Structural transformations of the La2−xPrxNiO4+δ system probed by high-resolution synchrotron and neutron powder diffraction

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Publication details

The article was received on 30 Aug 2018, accepted on 29 Nov 2018 and first published on 29 Nov 2018


Article type: Paper
DOI: 10.1039/C8DT03524E
Citation: Dalton Trans., 2018, Advance Article
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    Structural transformations of the La2−xPrxNiO4+δ system probed by high-resolution synchrotron and neutron powder diffraction

    V. Vibhu, M. R. Suchomel, N. Penin, F. Weill, J. Grenier, J. Bassat and A. Rougier, Dalton Trans., 2018, Advance Article , DOI: 10.1039/C8DT03524E

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