Daniil Novichkov, Tatiana Poliakova, Iurii Nevolin, Alexey Averin, Aleksandra Smirnova, Petr Matveev, Stepan Kalmykov
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Experimental and Theoretical X-ray Absorption Near Edge Structure Study of UOx Systems at the U L3 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 L3 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: UO2, U4O9, U3O8, UO3, and U3O7. 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 UOx, providing analysis of changes in electronic structure as a function of oxidation state and local structure which is important for nuclear materials research.
期刊介绍:
The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.