Research Portal

Short communication on further elucidating the structure of amorphous U2O7 by extended X-ray absorption spectroscopy and DFT simulations

Research output: Contribution to journal › Article › peer-review

Standard Standard

Short communication on further elucidating the structure of amorphous U2O7 by extended X-ray absorption spectroscopy and DFT simulations. / Thompson, Nathan; Middleburgh, Simon; Evitts, Lee et al.
In: Journal of Nuclear Materials, Vol. 542, 152476, 15.12.2020.

Research output: Contribution to journal › Article › peer-review

HarvardHarvard

Thompson, N, Middleburgh, S, Evitts, L, Gilbert, M, Sennett, M & Hyatt, N 2020, 'Short communication on further elucidating the structure of amorphous U2O7 by extended X-ray absorption spectroscopy and DFT simulations', Journal of Nuclear Materials, vol. 542, 152476. https://doi.org/10.1016/j.jnucmat.2020.152476

APA

Thompson, N., Middleburgh, S., Evitts, L., Gilbert, M., Sennett, M., & Hyatt, N. (2020). Short communication on further elucidating the structure of amorphous U2O7 by extended X-ray absorption spectroscopy and DFT simulations. Journal of Nuclear Materials, 542, Article 152476. https://doi.org/10.1016/j.jnucmat.2020.152476

CBE

Thompson N, Middleburgh S, Evitts L, Gilbert M, Sennett M, Hyatt N. 2020. Short communication on further elucidating the structure of amorphous U2O7 by extended X-ray absorption spectroscopy and DFT simulations. Journal of Nuclear Materials. 542:Article 152476. https://doi.org/10.1016/j.jnucmat.2020.152476

MLA

Thompson, Nathan et al. "Short communication on further elucidating the structure of amorphous U2O7 by extended X-ray absorption spectroscopy and DFT simulations". Journal of Nuclear Materials. 2020. 542. https://doi.org/10.1016/j.jnucmat.2020.152476

VancouverVancouver

Thompson N, Middleburgh S, Evitts L, Gilbert M, Sennett M, Hyatt N. Short communication on further elucidating the structure of amorphous U2O7 by extended X-ray absorption spectroscopy and DFT simulations. Journal of Nuclear Materials. 2020 Dec 15;542:152476. Epub 2020 Aug 29. doi: 10.1016/j.jnucmat.2020.152476

Author

Thompson, Nathan ; Middleburgh, Simon ; Evitts, Lee et al. / Short communication on further elucidating the structure of amorphous U2O7 by extended X-ray absorption spectroscopy and DFT simulations. In: Journal of Nuclear Materials. 2020 ; Vol. 542.

RIS

TY - JOUR

T1 - Short communication on further elucidating the structure of amorphous U2O7 by extended X-ray absorption spectroscopy and DFT simulations

AU - Thompson, Nathan

AU - Middleburgh, Simon

AU - Evitts, Lee

AU - Gilbert, Matthew

AU - Sennett, Martin

AU - Hyatt, Neil

PY - 2020/12/15

Y1 - 2020/12/15

N2 - 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.

AB - 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.

U2 - 10.1016/j.jnucmat.2020.152476

DO - 10.1016/j.jnucmat.2020.152476

M3 - Article

VL - 542

JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

SN - 0022-3115

M1 - 152476

ER -