Structure, properties and formation of PuCrO3 and PuAlO3 of relevance to doped nuclear fuels

Publisher:
Royal Soc Chemistry
Publication Type:
Journal Article
Citation:
Journal Of Materials Chemistry A, 2013, 1 (46), pp. 14633 - 14640
Issue Date:
2013-01
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We have employed a variety of computational methods to understand the behaviour of Pu, generated by neutron capture reactions in UO2 fuel, with Cr2O3 and Al2O3, two common UO2 fuel dopants. Structure search calculations using density functional theory an
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