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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

DOI: 10.1021/jacs.7b12421 DOI Help

Authors: Craig I. Hiley (University of Warwick) , Helen Playford (STFC ISIS Facility, Rutherford Appleton Laboratory) , Janet M. Fisher (Johnson Matthey Technology Centre) , Noelia Cortes Felix (Johnson Matthey Technology Centre) , David Thompsett (Johnson Matthey Technology Centre) , Reza J. Kashtiban (University of Warwick) , Richard I. Walton (University of Warwick)
Co-authored by industrial partner: Yes

Type: Journal Paper
Journal: Journal Of The American Chemical Society

State: Published (Approved)
Published: January 2018
Diamond Proposal Number(s): 8708

Abstract: Partial substitution of Ce4+ by Nb5+ is possible in CeO2 by co-inclusion 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 towards 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.

Journal Keywords: Redox reactions; Oxides; Lattices; Oxygen; Materials

Subject Areas: Chemistry, Materials


Instruments: B18-Core EXAFS

Other Facilities: ISIS

Added On: 22/01/2018 10:02

Discipline Tags:

Physical Chemistry Materials Science Chemistry

Technical Tags:

Spectroscopy X-ray Absorption Spectroscopy (XAS) X-ray Absorption Near Edge Structure (XANES)