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Reverse Monte Carlo studies of CeO 2 using neutron and synchrotron radiation techniques

DOI: 10.1088/1402-4896/aa547f DOI Help

Authors: Adam H. Clark (University College London (UCL)) , Huw R. Marchbank (University College London (UCL)) , Timothy I. Hyde (Johnson Matthey) , Helen Playford (ISIS Facility, Rutherford Appleton Laboratory) , Matthew G Tucker (ISIS Facility, Rutherford Appleton Laboratory; Diamond Light Source) , Gopinathan Sankar (University College London)
Co-authored by industrial partner: Yes

Type: Journal Paper
Journal: Physica Scripta , VOL 92

State: Published (Approved)
Published: March 2017

Open Access Open Access

Abstract: 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 L3- 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.

Journal Keywords: reverse Monte Carlo; ceria; neutron total scattering; EXAFS

Subject Areas: Chemistry

Facility: European Synchrotron Radiation Facility