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Title: Structure of Nano-sized CeO 2 Materials: Combined Scattering and Spectroscopic Investigations

Abstract

Here, the nature of nano-sized ceria, CeO 2, systems were investigated using neutron and X-ray diffraction and X-ray absorption spectroscopy. Whilst both diffraction andtotal pair distribution functions (PDFs) revealed that in all the samples the occupancy of both Ce 4+ and O 2- are very close to the ideal stoichiometry, the analysis using reverse Monte Carlo technique revealedsignificant disorder around oxygen atoms in the nano sized ceria samples in comparison to the highly crystalline NIST standard.In addition, the analysis reveal that the main differences observed in the pair correlations from various X-ray and neutron diffraction techniques were attributed to the particle size of the CeO 2 prepared by the reported three methods. Furthermore, detailed analysis of the Ce L 3– and K-edge EXAFS data support this finding; in particular the decrease in higher shell coordination numbers with respect to the NIST standard, are attributed to differences in particle size.

Authors:
 [1];  [1];  [2];  [3];  [4];  [2];  [2];  [5];  [5];  [6];  [7];  [1]
  1. Univ. College London, London (United Kingdom)
  2. Johnson Matthey Technology Centre, Reading (United Kingdom)
  3. Rutherford Appleton Laboratory, Oxon (United Kingdom)
  4. Rutherford Appleton Laboratory, Oxon (United Kingdom); Diamond Light Source, Oxon (United Kingdom); Spallation Neutron Source, Oak Ridge, TN (United States)
  5. Argonne National Lab. (ANL), Argonne, IL (United States)
  6. ESRF-The European Synchrotron, Grenoble, Cedex 9 (France)
  7. ESRF-The European Synchrotron, Grenoble, Cedex 9 (France); Istituto per lo Studio dei Materiali Nanostrutturati, Palermo (Italy)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
Argonne National Laboratory, Advanced Photon Source; Engineering and Physical Sciences Research Council (EPSRC); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22), Scientific User Facilities Division
OSTI Identifier:
1373885
Grant/Contract Number:
AC02-06CH11357
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
ChemPhysChem
Additional Journal Information:
Journal Volume: 17; Journal Issue: 21; Journal ID: ISSN 1439-4235
Publisher:
ChemPubSoc Europe
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; ceria; EXAFS; pair distribution functions; Reverse Monte Carlo; Rietveld analysis

Citation Formats

Marchbank, Huw R., Clark, Adam H., Hyde, Timothy I., Playford, Helen Y., Tucker, Matthew G., Thompsett, David, Fisher, Janet M., Chapman, Karena W., Beyer, Kevin A., Monte, Manuel, Longo, Alessandro, and Sankar, Gopinathan. Structure of Nano-sized CeO2 Materials: Combined Scattering and Spectroscopic Investigations. United States: N. p., 2016. Web. doi:10.1002/cphc.201600697.
Marchbank, Huw R., Clark, Adam H., Hyde, Timothy I., Playford, Helen Y., Tucker, Matthew G., Thompsett, David, Fisher, Janet M., Chapman, Karena W., Beyer, Kevin A., Monte, Manuel, Longo, Alessandro, & Sankar, Gopinathan. Structure of Nano-sized CeO2 Materials: Combined Scattering and Spectroscopic Investigations. United States. doi:10.1002/cphc.201600697.
Marchbank, Huw R., Clark, Adam H., Hyde, Timothy I., Playford, Helen Y., Tucker, Matthew G., Thompsett, David, Fisher, Janet M., Chapman, Karena W., Beyer, Kevin A., Monte, Manuel, Longo, Alessandro, and Sankar, Gopinathan. Mon . "Structure of Nano-sized CeO2 Materials: Combined Scattering and Spectroscopic Investigations". United States. doi:10.1002/cphc.201600697. https://www.osti.gov/servlets/purl/1373885.
@article{osti_1373885,
title = {Structure of Nano-sized CeO2 Materials: Combined Scattering and Spectroscopic Investigations},
author = {Marchbank, Huw R. and Clark, Adam H. and Hyde, Timothy I. and Playford, Helen Y. and Tucker, Matthew G. and Thompsett, David and Fisher, Janet M. and Chapman, Karena W. and Beyer, Kevin A. and Monte, Manuel and Longo, Alessandro and Sankar, Gopinathan},
abstractNote = {Here, the nature of nano-sized ceria, CeO2, systems were investigated using neutron and X-ray diffraction and X-ray absorption spectroscopy. Whilst both diffraction andtotal pair distribution functions (PDFs) revealed that in all the samples the occupancy of both Ce4+ and O2- are very close to the ideal stoichiometry, the analysis using reverse Monte Carlo technique revealedsignificant disorder around oxygen atoms in the nano sized ceria samples in comparison to the highly crystalline NIST standard.In addition, the analysis reveal that the main differences observed in the pair correlations from various X-ray and neutron diffraction techniques were attributed 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, are attributed to differences in particle size.},
doi = {10.1002/cphc.201600697},
journal = {ChemPhysChem},
number = 21,
volume = 17,
place = {United States},
year = {Mon Aug 29 00:00:00 EDT 2016},
month = {Mon Aug 29 00:00:00 EDT 2016}
}

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