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Probing Chemical Bonding in Uranium Dioxide by Means of High- Resolution X-ray Absorption Spectroscopy
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy.
European Synchrotron, CS40220, F-38043 Grenoble 9, France.;HZDR, Inst Resource Ecol, POB 510119, D-01314 Dresden, Germany..
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2016 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 120, no 51, p. 29397-29404Article in journal (Refereed) Published
Abstract [en]

A systematic X-ray absorption study at the U 3d, 4d, and 4f edges of UO2 was performed, and the data were analyzed within framework of the Anderson impurity model. By applying the high-energy-resolution fluorescence-detection (HERFD) mode of X-ray absorption spectroscopy (XAS) at the U 3d(3/2) edge and conducting the XAS measurements at the shallower U 4f levels, fine details of the XAS spectra were resolved resulting from reduced core-hole lifetime broadening. This multiedge study enabled a far more effective analysis of the electronic structure at the U sites and characterization of the chemical bonding and degree of the 5f localization in UO2. The results support the covalent character of UO2 and do not agree with the suggestions of rather ionic bonding in this compound as expressed in some publications.

Place, publisher, year, edition, pages
2016. Vol. 120, no 51, p. 29397-29404
National Category
Atom and Molecular Physics and Optics
Identifiers
URN: urn:nbn:se:uu:diva-315073DOI: 10.1021/acs.jpcc.6b09335ISI: 000391160400052OAI: oai:DiVA.org:uu-315073DiVA, id: diva2:1073557
Available from: 2017-02-10 Created: 2017-02-10 Last updated: 2017-11-29Bibliographically approved

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Butorin, Sergei. M.Vegelius, Johan

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