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Characteristics of chemical bonding of pentavalent uranium in La-doped UO2
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- Butorin, Sergei. M. (författare)
- Uppsala universitet,Molekyl- och kondenserade materiens fysik
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- Kvashnina, Kristina O. (författare)
- European Synchrotron, CS40220, F-38043 Grenoble 9, France.;HZDR, Inst Resource Ecol, POB 510119, D-01314 Dresden, Germany.
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- Prieur, Damien (författare)
- European Commiss, Inst Transuranium Elements, Joint Res Ctr, POB 2340, D-76125 Karlsruhe, Germany.
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- Rivenet, Murielle (författare)
- Univ Lille, CNRS, Cent Lille,ENSL, Univ Artois,UMR 8181,UCCS,Unite Catalyse & Chim S, F-59000 Lille, France.
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- Martin, Philippe M. (författare)
- CEA, DTEC SECA LCC, DEN, CEA Marcoule, F-30207 Bagnols Sur Ceze, France.
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(creator_code:org_t)
- 2017
- 2017
- Engelska.
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Ingår i: Chemical Communications. - : Royal Society of Chemistry (RSC). - 1359-7345 .- 1364-548X. ; 53:1, s. 115-118
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- The effect of La doping on the electronic structure of U in UO2 was studied using an advanced technique, namely, X-ray absorption spectroscopy (XAS) in the high-energy-resolution fluorescence-detection (HERFD) mode, at the U 3d(3/2) (M-4) edge. Thanks to a significant reduction of the core-hole lifetime broadening and distinct chemical shifts of the HERFD-XAS lines, the U(v) formation as a result of La doping was identified. The isolated contribution of U(v) in the M-4 HERFD-XAS spectrum reveals the so-called charge-transfer satellites due to the U 5f-O 2p hybridization. The analysis of the experimental data within the framework of the Anderson impurity model (AIM) indicates a significant change in the characteristics and degree of covalency for the chemical bonding in the U(v) subsystem of UO2 as compared to undoped UO2, which is a Mott-Hubbard system. The results are also supported by AIM calculations of X-ray photoelectron and optical absorption data.
Ämnesord
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
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