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- W2000681279 abstract "ab-initio density functional electronic structure calculations have been performed on a weakly interacting porphyrin-fullerene molecular junction. The goal of the study was to investigate the conductance trend across the porphyrin-fullerene molecular junction. We demonstrate that the conductance is dependent on the “X” group (X=H, F, OH) present on the donor porphyrin derivative. The porphyrin-fullerene junction with fluorine substituted in the porphyrin has the largest conductance." @default.
- W2000681279 created "2016-06-24" @default.
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- W2000681279 date "2013-01-01" @default.
- W2000681279 modified "2023-10-14" @default.
- W2000681279 title "Electronic structure investigations in conductance across porphyrin-fullerene molecular junctions" @default.
- W2000681279 doi "https://doi.org/10.1063/1.4791078" @default.
- W2000681279 hasPublicationYear "2013" @default.
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