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Negative differential resistance induced by intermolecular interaction in a bimolecular device
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View: Figures


Image of FIG. 1.
FIG. 1.

(Color online) Configuration of the molecular junctions in our simulation: two cofacial OPE molecules are sandwiched between two gold electrodes through the thiol end group. The sulfur atom is chosen to locate at the hollow site of the gold triangle and the Au–S distance is , which is a typical Au–S distance. The extended molecule consists of (111) two layers of Au slab with 32 atoms in the left electrode, three layers of Au slab with 48 atoms in the right electrodes, and the OPE molecules.

Image of FIG. 2.
FIG. 2.

(Color online) Dependence of the transmission coefficient on the distance between two OPE molecules: [(a)–(c)] correspond to 1.67, 3.33, and , respectively. As a comparison, the transmission coefficient for the single OPE molecular junction is depicted in (d). The vertical dotted lines stand for the molecular orbitals. The energy origin is set to be the Fermi level of the system.

Image of FIG. 3.
FIG. 3.

(Color online) (a) curves of the bimolecular device for different intermolecular distances. (b1)–(b3) describe the transmission coefficient and the corresponding projection of the density of states (PDOS) for the system with the distance between the two OPE molecules under biases , 1.4, and , 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: Negative differential resistance induced by intermolecular interaction in a bimolecular device