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Pair Distribution Function Analysis of Structural Disorder by Nb5+ Inclusion in Ceria: Evidence for Enhanced Oxygen Storage Capacity from Under-Coordinated Oxide

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    Pair Distribution Function Analysis of Structural Disorder by Nb5+ Inclusion in Ceria: Evidence for Enhanced Oxygen Storage Capacity from Under-Coordinated Oxide
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    † Department of Chemistry, University of Warwick, Coventry CV4 7AL, United Kingdom
    ‡ STFC ISIS Facility, Rutherford Appleton Laboratory, Oxfordshire OX11 0QX, United Kingdom
    § Johnson Matthey Technology Centre, Sonning Common, Reading RG4 9NH, United Kingdom
    ∥ Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL United Kingdom
    *[email protected]
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    Journal of the American Chemical Society

    Cite this: J. Am. Chem. Soc. 2018, 140, 5, 1588–1591
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    https://doi.org/10.1021/jacs.7b12421
    Published January 19, 2018
    Copyright © 2018 American Chemical Society
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    Abstract

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    Partial substitution of Ce4+ by Nb5+ is possible in CeO2 by coinclusion of Na+ to balance the charge, via hydrothermal synthesis in sodium hydroxide solution. Pair distribution function analysis using reverse Monte Carlo refinement reveals that the small pentavalent substituent resides in irregular coordination positions in an average fluorite lattice, displaced away from the ideal cubic coordination toward four oxygens. This results in under-coordinated oxygen, which explains significantly enhanced oxygen storage capacity of the materials of relevance to redox catalysis used in energy and environmental applications.

    Copyright © 2018 American Chemical Society

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    Cite this: J. Am. Chem. Soc. 2018, 140, 5, 1588–1591
    Click to copy citationCitation copied!
    https://doi.org/10.1021/jacs.7b12421
    Published January 19, 2018
    Copyright © 2018 American Chemical Society
    Request reuse permissions

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