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Coulomb repulsion effect in two-electron nonadiabatic tunneling through a one-level redox molecule
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10.1063/1.3253699
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Affiliations:
1 A.N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Leninsky Prospect 31, Moscow 119991, Russian Federation
2 Institute of Chemistry, Technical University of Denmark, Bldg. 207, DK-2800 Lyngby, Denmark
a) Electronic mail: theor@elchem.ac.ru.
J. Chem. Phys. 131, 164703 (2009)
/content/aip/journal/jcp/131/16/10.1063/1.3253699
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/16/10.1063/1.3253699
View: Figures

## Figures

FIG. 1.

Dependence of the tunneling current on the “overpotential” for the vacuum tunneling contact . The current is normalized to the tunneling current for infinitely large Coulomb repulsion energy at . , . Solid line: . Dashed line: . (a) . (b) .

FIG. 2.

Dependence of the tunneling current on the overpotential. Condensed matter in situ environment. Large positive . The current is normalized to the tunneling current for infinitely large Coulomb repulsion energy at zero effective overpotential. , , and . Solid line: . Dashed line: . (a) ; (b) .

FIG. 3.

Dependence of the tunneling current on the overpotential. Either positive or negative, small . The current is normalized to where is the tunneling current for infinitely large Coulomb repulsion energy at zero value of the effective overpotential , , , . (1) . (2) . (3) . (4) .

FIG. 4.

Dependence of the tunneling current on the bias voltage for to illustrate rectification. The current is normalized to . , , and . Dotted line: . Dashed line: . Solid line: .

FIG. 5.

Dependence of the tunneling current on the bias voltage to illustrate rectification. Condensed matter environment. The current normalized to . Variable . , , and . (a) ; (1) , (2) , (3) , (4) . (b) ; (1) , (2) , (3) . (c) ; (1) , (2) , (3) .

FIG. 6.

Dependences of the tunneling current (a) and differential conductance (b) on the bias voltage for the vacuum tunneling contact at , , , , and different . The current is normalized to . Solid line: . Dashed line: .

FIG. 7.

Effect of and on the differential conductance for the vacuum tunneling contact at and . . Solid line: , , . Dashed line: , . Dotted line: , , .

FIG. 8.

Dependences of the tunneling current (a) and differential conductance (b) on the bias voltage for the vacuum tunneling contact for and , , , , and different values of . Solid line: . Dashed line: . Dotted line: .

FIG. 9.

Dependencies of the tunneling current (a) and differential conductance (b) on the bias voltage for the vacuum tunneling contact for , , , and . Negative . The current is normalized to . Solid line: . Dashed line: . Dotted line: .

FIG. 10.

Dependencies of the differential conductance on the bias voltage in the infinite limit for the in situ tunneling contact for , , and . Solid line: . Dashed line: . Dotted line: .

FIG. 11.

Dependencies of the differential conductance on the bias voltage for the in situ tunneling contact for , , and . Finite . Solid line: . Dashed line: . Dotted line: . (a) , (b) , and (c) .

/content/aip/journal/jcp/131/16/10.1063/1.3253699
2009-10-26
2014-04-19

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