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- W2756069417 abstract "The resolution of questions about the existence of condensed plutonium monoxide (PuO) has long been hindered by lack of thermochemical data. Here we perform first-principles calculation to investigate the reaction Pu2O3 + Pu → 3 PuO and find that PuO is thermodynamically unstable under ambient pressure. We also find that pressure could stabilize PuO by strengthening the hybridization between Pu-5f/6d and O-2p states. Moreover, the dynamical stability of NaCl-type PuO is verified by the phonon calculation. Optical properties such as reflectivity are also predicted for the detection of metallic PuO." @default.
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- W2756069417 date "2017-09-22" @default.
- W2756069417 modified "2023-10-15" @default.
- W2756069417 title "Stability and optical properties of plutonium monoxide from first-principle calculation" @default.
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- W2756069417 doi "https://doi.org/10.1038/s41598-017-12428-x" @default.
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