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Data for Incorporation of Sb5+ into CeO2 : local structural distortion of the fluorite structure from a pentavalent substituent
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Hiley, Craig I., Fisher, Janet M., Kashtiban, Reza J., Cibin, Giannantonio, Thompsett, David and Walton, Richard I. (2018) Data for Incorporation of Sb5+ into CeO2 : local structural distortion of the fluorite structure from a pentavalent substituent. [Dataset]
Plain Text (Brief description of dataset)
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Archive (ZIP) (Zipped file of folders relating to published figures 1, 4, 5, 7, 8, S6)
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Official URL: http://wrap.warwick.ac.uk/103806
Abstract
Hydrothermal crystallisation of CeO2 from aqueous sodium hydroxide solution at 240 C using CeCl3·7H2O in the presence of hydrogen peroxide with addition of either SbCl3 or SbCl5 yields polycrystalline samples of antimony-containing ceria directly from solution. Powder X-ray diffraction sShows a contraction of the cubic lattice parameter with increasing Sb content, and also a broadening of Bragg peaks, from which Scherrer analysis yields crystallite domain sizes of 5 - 20 nm. Scanning transmission electron microscopy provides consistent results with observation of highly crystalline particles of a few nm in diameter. X-ay absorption near edge structure spectroscopy at the Ce LIII and Sb K edges reveals the presence of Ce4+ and Sb5+ in the solids. To balance charge the presence of co-included Na is proposed, corroborated by elemental analysis. The general chemical formula of the materials can thus be written as (Ce1 xSbx)1 yNayO2-δ (where x < 0.4 and y ≥ x/3). Sb K-edge extended X-ray absorption fine structure spectroscopy of the substituted ceria samples shows that the local structure of Sb resembles that in NaSbO3, where six-coordinate metal sites are found, but with evidence of a longer interatomic correlation due to surrounding Ce/Sb atoms in the fluorite structure; this implies that the Sb is displaced from the ideal eight-coordinate site of the fluorite structure. This structural distortion gives materials that are unstable under reducing conditions, coupled by the ease of reduction to elemental antimony, which is extruded leading to phase separation.
Item Type: | Dataset | ||||||||||||||||||
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Subjects: | Q Science > QD Chemistry | ||||||||||||||||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Physics |
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Type of Data: | Experimental research data supporting publication | ||||||||||||||||||
Library of Congress Subject Headings (LCSH): | Cerium oxides, Catalysis, Antimony compounds | ||||||||||||||||||
Publisher: | University of Warwick, Department of Chemistry ; University of Warwick, Department of Physics | ||||||||||||||||||
Official Date: | 5 July 2018 | ||||||||||||||||||
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Status: | Not Peer Reviewed | ||||||||||||||||||
Publication Status: | Published | ||||||||||||||||||
Media of Output (format): | .dat; .txt | ||||||||||||||||||
Access rights to Published version: | Restricted or Subscription Access | ||||||||||||||||||
Copyright Holders: | Craig I. Hilley, Janet M. Fisher, Reza J. Kashtiban, Giannantonio Cibin, David Thompsett, Richard I. Walton | ||||||||||||||||||
Description: | Data are organised in folders according to the figures they are plotted in (numbered as in the paper). Each folder contains sets of .txt files for each experimental data-set shown: each is a two-column ascii file labelled according to the material from which the data were recorded. |
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Date of first compliant deposit: | 3 July 2018 | ||||||||||||||||||
Date of first compliant Open Access: | 5 July 2018 | ||||||||||||||||||
RIOXX Funder/Project Grant: |
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