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- W2783180266 abstract "To improve the carrier-injection of polyfluorene,oligomers of polyfluorene,fluorene-bipyridine,and fluorene-phenanthrolin copolymers were theoretically studied for their geometries,electronic structures,excitation energies,and reorganization energies by density functional theory at the B3LYP/6-31G* level.We evaluated the properties of the corresponding polymers by linear extrapolation.We found a large decrease of about 0.45/0.47 eV and 0.32/0.38 eV for the highest occupied molecular orbital(HOMO) and the lowest unoccupied molecular orbital(LUMO) levels,respectively,after the introduction of electron-deficient bipyridine/phenanthrolin into polyfluorene.These molecules improved the electron injection ability and the balance of carrier-injection in polyfluorene systems.Additionally,the reorganization energy increased for both electron and hole transports upon the incorporation of bipyridine,which resulted in worse carrier mobility.However,the fluorene-phenanthrolin copolymer showed a similar charge transport property to polyfluorene." @default.
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- W2783180266 date "2010-01-01" @default.
- W2783180266 modified "2023-10-18" @default.
- W2783180266 title "Carrier Injection Property of Fluorene-Aromatic Nitrogen Heterocycle Copolymers" @default.
- W2783180266 doi "https://doi.org/10.3866/pku.whxb20100831" @default.
- W2783180266 hasPublicationYear "2010" @default.
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