Trends in the valence band electronic structures of mixed uranium oxides

Kristina O. Kvashnina; Piotr M. Kowalski; Sergei M. Butorin; Gregory Leinders; Janne Pakarinen; René Bès; Haijian Li; Marc Verwerft

doi:10.1039/C8CC05464A

Trends in the valence band electronic structures of mixed uranium oxides†

Kristina O. Kvashnina,

‡*^ab Piotr M. Kowalski,

‡^cd Sergei M. Butorin,

^e Gregory Leinders,

^f Janne Pakarinen,

^f René Bès,

^g Haijian Li^cd and Marc Verwerft

Author affiliations

* Corresponding authors

^a Rossendorf Beamline at ESRF – The European Synchrotron, CS40220, 38043 Grenoble Cedex 9, France
E-mail: kristina.kvashnina@esrf.fr

^b Helmholtz Zentrum Dresden-Rossendorf (HZDR), Institute of Resource Ecology, P.O. Box 510119, 01314 Dresden, Germany

^c Institute of Energy and Climate Research, IEK-6, Nuclear Waste Management and Reactor Safety, Forschungszentrum Jülich GmbH, Wilhelm-Johnen-Strasse, 52428 Jülich, Germany

^d JARA High-Performance Computing, Schinkelstraße 2, 52062 Aachen, Germany

^e Molecular and Condensed Matter Physics, Department of Physics and Astronomy, Uppsala University, SE-751 20 Uppsala, Sweden

^f Belgian Nuclear Research Centre (SCK·CEN), Institute for Nuclear Materials Science, Boeretang 200, B-2400 Mol, Belgium

^g Department of Applied Physics, Aalto University, P.O. Box 14100, FI-00076 Aalto, Finland

Abstract

The valence band electronic structures of mixed uranium oxides (UO₂, U₄O₉, U₃O₇, U₃O₈, and β-UO₃) have been studied using the resonant inelastic X-ray scattering (RIXS) technique at the U M₅ edge and computational methods. We show here that the RIXS technique and recorded U 5f–O 2p charge transfer excitations can be used to test the validity of theoretical approximations.

This article is part of the themed collection: New molecules and materials from the f-block

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Article information

DOI: https://doi.org/10.1039/C8CC05464A
Article type: Communication
Submitted: 06 Jul 2018
Accepted: 07 Aug 2018
First published: 08 Aug 2018

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Chem. Commun., 2018,54, 9757-9760

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Trends in the valence band electronic structures of mixed uranium oxides

K. O. Kvashnina, P. M. Kowalski, S. M. Butorin, G. Leinders, J. Pakarinen, R. Bès, H. Li and M. Verwerft, Chem. Commun., 2018, 54, 9757 DOI: 10.1039/C8CC05464A

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Chemical Communications

Trends in the valence band electronic structures of mixed uranium oxides†

Abstract

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Trends in the valence band electronic structures of mixed uranium oxides

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