Experimental and Theoretical X-ray Absorption Near Edge Structure Study of UO<sub><i>x</i></sub> Systems at the U L<sub>3</sub> 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<sub>3</sub> 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<sub>2</sub>, U<sub>4</sub>O<sub>9</sub>, U<sub>3</sub>O<sub>8</sub>, UO<sub>3</sub>, and U<sub>3</sub>O<sub>7</sub>. 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<sub><i>x</i></sub>, providing analysis of changes in electronic structure as a function of oxidation state and local structure which is important for nuclear materials research.

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Publication Details

Journal
The Journal of Physical Chemistry A
Published
2024-12-04
DOI
https://doi.org/10.1021/acs.jpca.4c05814
Citations
4
Primary Topic
Nuclear Materials and Properties
Type
article
Field-Weighted Citation Impact
0.47

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Experimental and Theoretical X-ray Absorption Near Edge Structure Study of UOx Systems at the U L3 Edge

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The Journal of Physical Chemistry A
Nuclear Materials and Properties
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article

Experimental and Theoretical X-ray Absorption Near Edge Structure Study of UOx Systems at the U L3 Edge

Tatiana Poliakova, Petr Igorevich Matveev, Daniil Andreevich Novichkov, Stepan Nikolaevich Kalmykov, A. A. Smirnova, А. А. Аверин, Iurii M. Nevolin
article en
4 citations

Abstract

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<sub>3</sub> 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<sub>2</sub>, U<sub>4</sub>O<sub>9</sub>, U<sub>3</sub>O<sub>8</sub>, UO<sub>3</sub>, and U<sub>3</sub>O<sub>7</sub>. 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<sub><i>x</i></sub>, providing analysis of changes in electronic structure as a function of oxidation state and local structure which is important for nuclear materials research.

The Journal of Physical Chemistry AVol. 128(50)
Lomonosov Moscow State University (RU), Frumkin Institute of Physical Chemistry and Electrochemistry Russian Academy of Sciences (RU)
Russian Science Foundation
Climate action
Openalex Percentile: Top 37%
Nuclear Materials and Properties
0.47
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