Journal Article

FZJ-2016-04519

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Nonstoichiometry in Strontium Uranium Oxide: Understanding the Rhombohedral–Orthorhombic Transition in SrUO$_{4}$

Murphy, G. L. ; Kennedy, B. J. (Corresponding author) ; Kimpton, J. A. ; Gu, Q. ; Johannessen, B. ; Beridze, G. ; Kowalski, P.FZJ* ; Bosbach, D.FZJ* ; Avdeev, M. ; Zhang, Z.

2016
American Chemical Society Washington, DC

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Please use a persistent id in citations: doi:10.1021/acs.inorgchem.6b01391

Abstract: In situ neutron and synchrotron X-ray diffraction studies demonstrate that SrUO4 acts as an oxygen transfer agent, forming oxygen vacancies under both oxidizing and reducing conditions. Two polymorphs of SrUO4 are stable at room temperature, and the transformation between these is observed to be associated with thermally regulated diffusion of oxygen ions, with partial reduction of the U6+ playing a role in both the formation of oxygen deficient α-SrUO4−δ and its subsequent transformation to stoichiometric β-SrUO4. This is supported by ab initio calculations using density functional theory calculations. The oxygen vacancies play a critical role in the first order transition that SrUO4 undergoes near 830 °C. The changes in the oxidation states and U geometry associated with the structural phase transition have been characterized using X-ray absorption spectroscopy, synchrotron X-ray diffraction, and neutron diffraction.

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Contributing Institute(s):

1. Nukleare Entsorgung und Reaktorsicherheit (IEK-6)
2. JARA - HPC (JARA-HPC)

Research Program(s):

1. 161 - Nuclear Waste Management (POF3-161) (POF3-161)
2. Investigation of the new materials for safe management of high level nuclear waste. (jiek61_20131101) (jiek61_20131101)
3. Investigation of the new materials for safe management of high level nuclear waste. (jara0038_20121101) (jara0038_20121101)
4. Towards controlled QCD transport coefficients (jara0039_20121101) (jara0039_20121101)
5. HITEC - Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC) (HITEC-20170406) (HITEC-20170406)

Appears in the scientific report 2016

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Database coverage:
; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; NCBI Molecular Biology Database ; Nationallizenz ; No Authors Fulltext ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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