Computational study of the interactions of tetravalent actinides (An = Th–Pu) with the α-Fe<sub>13</sub> Keggin cluster-Reference-Cited by-同舟云学术

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Computational study of the interactions of tetravalent actinides (An = Th–Pu) with the α-Fe₁₃ Keggin cluster

Published:2024 Issue:13 Volume:53 Page:5947-5956
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Dempsey Ryan L.¹^ORCID,Kaltsoyannis Nikolas¹^ORCID

Affiliation:

1. Department of Chemistry, The University of Manchester, Manchester, M13 9PL, UK

Abstract

The interactions of the early actinides with molecular Fe13 Keggin species of relevance to Sellafield's Enhanced Actinide Removal Plant are investigated computationally using scalar and spin–orbit relativistic hybrid density functional theory.

Funder

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/DT/D3DT03761D

Reference66 articles.

1. UK Government Press Release, https://www.gov.uk/government/news/job-done-sellafield-plant-safely-completes-its-mission

2. Ferrihydrite Formation: The Role of Fe13 Keggin Clusters

3. U(VI) sorption during ferrihydrite formation: Underpinning radioactive effluent treatment

4. Neptunium and Uranium Interactions with Environmentally and Industrially Relevant Iron Minerals

5. In Situ Structural Characterization of Ferric Iron Dimers in Aqueous Solutions: Identification of μ-Oxo Species

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