Experimental and Theoretical X-ray Absorption Near Edge Structure Study of UO x Systems at the U L 3 Edge

Uranium forms a large number of oxides and its electronic state in them is of great fundamental interest. We employ X-ray absorption spectroscopy at the U L edge to differentiate between mixed oxide phases in uranium compounds. By combining experimental XANES spectra with theoretical modeling using...

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Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2024-12
Hauptverfasser: Novichkov, Daniil, Poliakova, Tatiana, Nevolin, Iurii, Averin, Alexey, Smirnova, Aleksandra, Matveev, Petr, Kalmykov, Stepan
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Sprache:eng
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Zusammenfassung:Uranium forms a large number of oxides and its electronic state in them is of great fundamental interest. We employ X-ray absorption spectroscopy at the U L edge to differentiate between mixed oxide phases in uranium compounds. By combining experimental XANES spectra with theoretical modeling using the FEFF code, we analyze five uranium oxides: UO , U O , U O , UO , and U O . Our study reveals how variations in spectral features correspond to changes in oxidation states, local structure, and electronic information. These findings demonstrate a study that consolidates and systematically compares the entire series UO , providing analysis of changes in electronic structure as a function of oxidation state and local structure which is important for nuclear materials research.
ISSN:1520-5215