A theoretical study of electronic and valence properties of U/PuO2 |
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| Authors: | CRA Catlow NC Pyper |
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| Affiliation: | Department of Chemistry, University College London, 20 Gordon Street, London WC1H OAJ, UK;Department of Theoretical Chemistry, University Chemical Laboratory, Lensfield Road, Cambridge, UK |
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| Abstract: | We consider the basic electronic and thermodynamic properties of the U/PuO2 phase, paying special attention to the contrasts between the behaviour of this material and that of UO2. We also report calculated ionisation potentials for Pu which play an important rôle in our analysis. |
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