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- W2377978040 abstract "The crystal structures,electronic structures and optical properties ofα-Bi2O3doped with Pr have been investigated using density functional theory based on first-principles ultrasoft pseudopotential method.The calculated results showed that Pr4forbital split in two,high-energy orbit appeared in the conduction band ofα-Bi2O3and hybridized with O2p,Bi6p orbitals,low-energy orbit appeared in the forbidden band and formed a new impurity levels.The narrowed band gap and red-shift of light absorption edge,the theoretical calculation results were consistent with that of the experiment stuy reported,and gave a good mechanism interpretation to the photocatalytic enhancement Pr-dopedα-Bi2O3." @default.
- W2377978040 created "2016-06-24" @default.
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- W2377978040 date "2014-01-01" @default.
- W2377978040 modified "2023-09-24" @default.
- W2377978040 title "First-principles study on the Pr-dopedα-Bi_2O_3" @default.
- W2377978040 hasPublicationYear "2014" @default.
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