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

被引：11

作者：

Clark, Adam H. ^{[1
]}

Marchbank, Huw R. ^{[1
]}

Hyde, Timothy I. ^{[2
]}

Playford, Helen Y. ^{[3
]}

Tucker, Matthew G. ^{[3
,4
,5
]}

Sankar, Gopinathan ^{[1
]}

机构：

[1] UCL, Dept Chem, 20 Gordon St, London WC1H 0AJ, England

[2] Johnson Matthey Technol Ctr, Reading RG4 9NH, Berks, England

[3] Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England

[4] Diamond Light Source, Harwell Sci & Innovat Campus, Didcot OX11 0DE, Oxon, England

[5] Spallat Neutron Source, One Bethel Valley Rd,MS-6475, Oak Ridge, TN 37831 USA

来源：

PHYSICA SCRIPTA | 2017年 / 92卷 / 03期

基金：

英国工程与自然科学研究理事会;

关键词：

reverse Monte Carlo; ceria; neutron total scattering; EXAFS; SCATTERING; REFINEMENT; PACKAGE; POWDER;

D O I：

10.1088/1402-4896/aa547f

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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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