Short communication on further elucidating the structure of amorphous U2O7 by extended X-ray absorption spectroscopy and DFT simulations
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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.
| Original language | English |
|---|---|
| Article number | 152476 |
| Journal | Journal of Nuclear Materials |
| Volume | 542 |
| Early online date | 29 Aug 2020 |
| DOIs | |
| Publication status | Published - 15 Dec 2020 |
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