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Data for 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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Walton, Richard I. (2018) Data for Pair distribution function analysis of structural disorder by nb5+ inclusion in ceria: evidence for enhanced oxygen storage capacity from under-coordinated oxide. [Dataset]
Archive (ZIP) (Experimental neutron scattering data)
DATA FOR WRAP.ZIP Available under License Creative Commons Attribution 4.0. Download (66Kb) |
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Plain Text (Readme file)
readme.txt Available under License Creative Commons Attribution 4.0. Download (754b) |
Official URL: https://wrap.warwick.ac.uk/97941
Abstract
Partial substitution of Ce4+ by Nb5+ is possible in CeO2 by co-inclusion of Na+ to balance the charge, via hydrothermal syn-thesis 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 en-hanced oxygen storage capacity of the materials of relevance to redox catalysis used in energy and environmental applications.
Item Type: | Dataset | ||||||
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Subjects: | Q Science > QD Chemistry | ||||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||||
Type of Data: | Neutron scattering data files | ||||||
Library of Congress Subject Headings (LCSH): | Cerium, Catalysis | ||||||
Publisher: | University of Warwick, Department of Chemistry | ||||||
Official Date: | 25 January 2018 | ||||||
Dates: |
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Status: | Not Peer Reviewed | ||||||
Media of Output (format): | .txt .dat .pdf | ||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||
Description: | These files contain: 4 experimental PDFs as 2 column ascii files: x column is radial distance (r in Angtroms) and y column is G(r). 4 experimental Bragg diffraction data sets as 2 column ascii files: x column is time-of-flight (in ms) and y column is detected intensity counts (arbitrary units) |
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