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Electronic transport properties in doped molecular devices
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View: Figures


Image of FIG. 1.
FIG. 1.

Schematic plot of the molecular junctions: the molecule is coupled to two semi-infinite Au electrodes, and the extended molecule consists of molecule three layers of Au slab in the left lead, and two layers of Au slab in the right lead. , , and correspond to , , and junctions, respectively. The distance between electrode surface and molecule is 2.1 Å, which corresponds to the lowest energy of the expanded molecules.

Image of FIG. 2.
FIG. 2.

(a) Currents as function of bias for , , and . The insert is the change in transferred charges from the electrode to the molecule at different biases. ](b1)—(b3)] Refer to the transmission coefficient (solid lines) and the corresponding PDOS (dash-dot lines)on the electron energy at zero bias, correspond to , , and , respectively. The vertical dashed stand for the molecular orbitals and the Fermi level is set to be the origin of energy.

Image of FIG. 3.
FIG. 3.

[(a1)—(a3)] Show the total transmission as a function of the bias voltage and electron energy for , , and , and the white lines stand for bias windows. [(b1)—(b3)] Describe the transmission coefficient and the corresponding PDOS for the system under biases , 1.0, and 1.4 V, respectively. The region between the solid lines is the bias window, the dotted lines correspond to frontier molecular orbitals, and the shaded area denotes the integral area in the bias window.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Electronic transport properties in doped C60 molecular devices