Ab initio study of the adsorption of O, O2, H2O and H2O2 on UO2 surfaces using DFT+U and non-collinear magnetism
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Published:2024-10
Issue:
Volume:599
Page:155249
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ISSN:0022-3115
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Container-title:Journal of Nuclear Materials
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language:en
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Short-container-title:Journal of Nuclear Materials
Author:
Arts IneORCID,
Saniz Rolando,
Baldinozzi GianguidoORCID,
Leinders GregoryORCID,
Verwerft MarcORCID,
Lamoen Dirk
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5. Differences in the existence states of hydrogen in UO2 and PuO2 from DFT + U calculations;Ao;J. Phys. Chem. C,2016