4.6 Article

Reverse Monte Carlo studies of CeO2 using neutron and synchrotron radiation techniques

Journal

PHYSICA SCRIPTA
Volume 92, Issue 3, Pages -

Publisher

IOP PUBLISHING LTD
DOI: 10.1088/1402-4896/aa547f

Keywords

reverse Monte Carlo; ceria; neutron total scattering; EXAFS

Funding

  1. EPSRC
  2. Johnson Matthey Plc
  3. Engineering and Physical Sciences Research Council [1360042, 1635837] Funding Source: researchfish

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A reverse Monte Carlo analysis method was employed to extract the structure of CeO2 from Neutron total scattering (comprising both neutron diffraction (ND) and pair-distribution functions (PDF) and Ce L-3- and K-edge EXAFS data. Here it is shown that there is a noticeable difference between using short ranged x-ray absorption spectroscopy data and using medium-long range PDF and ND data in regards to the disorder of the cerium atoms. This illustrates the importance of considering multiple length scales and radiation sources.

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