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- W2234629646 abstract "The electronic structure and electronic conductance of C 20 molecule bridged between two Au electrodes are studied by the first principles based on the density functional theory and the nonequilibrium Greens function. The three transmission systems based on C 20 molecules are modeled，and the transmission spectra and the molecular orbital distributions are obtained. The reasons why the electronic structure and the electronic transmission are formed are discussed. The results show that the electrons are transported through the C 20 bridge on the molecular shell. When one K or one Si atom is inlaid inside C 20 ，the conductivities indicate that the electrons can transfer partly inside the C 20 molecule，but most electrons ave transported on the C 20 fullerene shell." @default.
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- W2234629646 date "2008-01-01" @default.
- W2234629646 modified "2023-10-17" @default.
- W2234629646 title "Electronic structure and conductance of fullerene C20" @default.
- W2234629646 doi "https://doi.org/10.7498/aps.57.6271" @default.
- W2234629646 hasPublicationYear "2008" @default.
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