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Structure of Nano-sized CeO2 Materials: Combined Scattering and Spectroscopic Investigations

Marchbank, HR; Clark, AH; Hyde, TI; Playford, HY; Tucker, MG; Thompsett, D; Fisher, JM; ... Sankar, G; + view all (2016) Structure of Nano-sized CeO2 Materials: Combined Scattering and Spectroscopic Investigations. ChemPhysChem , 17 (21) pp. 3494-3503. 10.1002/cphc.201600697. Green open access

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Abstract

The structure of several nano‐sized ceria, CeO2, systems was investigated using neutron and X‐ray diffraction and X‐ray absorption spectroscopy. Whilst both diffraction and total pair distribution functions (PDFs) revealed that in all of the samples the occupancy of both Ce4+ and O2− are very close to the ideal stoichiometry, the analysis using Reverse Monte Carlo technique revealed significant disorder around oxygen atoms in the nano‐sized ceria samples in comparison to the highly crystalline NIST standard. In addition, the analysis revealed that the main differences observed in the pair correlations from various X‐ray and neutron diffraction techniques were attributable to the particle size of the CeO2 prepared by the reported three methods. Furthermore, detailed analysis of the Ce L3‐ and K‐edge EXAFS data support this finding; in particular the decrease in higher shell coordination numbers with respect to the NIST standard, is attributed to differences in particle size.

Type: Article
Title: Structure of Nano-sized CeO2 Materials: Combined Scattering and Spectroscopic Investigations
Open access status: An open access version is available from UCL Discovery
DOI: 10.1002/cphc.201600697
Publisher version: https://doi.org/10.1002/cphc.201600697
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
Keywords: ceria, EXAFS, pair distribution functions, Reverse Monte Carlo, Rietveld analysis
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10066143
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