DOE OSTI · 1639120
Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs 2 PuSi 6 O 15
Abstract
The stability of the novel Pu( iv ) silicate, Cs 2 PuSi 6 O 15 , was predicted from a combination of crystal chemical reasoning and DFT calculations and confirmed by its synthesis via flux crystal growth.
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Pace, Kristen A., Klepov, Vladislav V., Christian, Matthew S., Morrison, Gregory, Deason, Travis K., Kutahyali Aslani, Ceren, Besmann, Theodore M., Diprete, David P., Amoroso, Jake W., zur Loye, Hans-Conrad. 2020-08-19. Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs 2 PuSi 6 O 15. https://doi.org/10.1039/d0cc02674c
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