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Effect of the continuity of the conjugation on the conductance of ruthenium-octene-ruthenium molecular junctions
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10.1063/1.2733655
/content/aip/journal/jcp/126/17/10.1063/1.2733655
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/17/10.1063/1.2733655

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Molecular junction models constructed from different contacting ways: (a) octene A formed from a 2,4,6-octatriene chain, (b) octene B formed from a 2,4,6-octatriene chain, and (c) octene C formed from a 2,6-octadiene chain.

Image of FIG. 2.
FIG. 2.

(Color online) Frontier molecular orbitals of the isolated 2,4,6-octatriene and 2,6-octadiene molecules.

Image of FIG. 3.
FIG. 3.

(Color online) Frontier orbitals of the Ru-octene-Ru molecular junctions.

Image of FIG. 4.
FIG. 4.

(Color online) (a) The equilibrium transmission vs energy curves of the Ru-octene-Ru molecular junctions and (b) the current-voltage characteristics of the Ru-octene-Ru molecular junctions.

Image of FIG. 5.
FIG. 5.

(Color online) The equilibrium transmission vs energy curves of the two new Ru-octene-Ru molecular junctions.

Tables

Generic image for table
Table I.

C–C bond lengths of the octene chains before and after being sandwiched between two Ru electrodes (in unit of angstroms).

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/content/aip/journal/jcp/126/17/10.1063/1.2733655
2007-05-03
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Effect of the continuity of the π conjugation on the conductance of ruthenium-octene-ruthenium molecular junctions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/17/10.1063/1.2733655
10.1063/1.2733655
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