Short communication on further elucidating the structure of amorphous U2O7 by extended X-ray absorption spectroscopy and DFT simulations
Source abstract
Abstract
The structure of amorphous U2O7 has been examined by extended x-ray absorption near edge spectroscopy (EXAFS) and modelled using density functional theory (DFT) simulations. A hybridised metastudtite-UO3 structure is proposed, consisting of peroxide bonds (O-Operoxo), uranyl units (U=Oyl) and U-O bonding. Experimental and simulated X-ray diffraction (XRD) is used to confirm the proposed structure.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Radioactive element chemistry and processing · Nuclear Materials and Properties · Nuclear materials and radiation effects
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References (18)
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