Abstract
Theory and experiment examining electron transfer through molecules bound to electrodes are increasingly focused on quantities that are conceptually far removed from current chemical understanding. This presents challenges both for the design of interesting molecules for these devices and for the interpretation of experimental data by traditional chemical mechanisms. Here, the concept of electronic coupling from theories of intramolecular electron transfer is extended and applied in the scattering theory (Landauer) formalism. This yields a simple sum over independent channels, that is then used to interpret and explain the unusual features of junction transport through cross-conjugated molecules and the differences among benzene rings substituted at the ortho, meta, or para positions.
| Original language | English |
|---|---|
| Article number | 054701 |
| Journal | Journal of Chemical Physics |
| Volume | 129 |
| Issue number | 5 |
| DOIs | |
| Publication status | Published - 2008 |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
Cite this
Understanding quantum interference in coherent molecular conduction. / Solomon, Gemma C.; Andrews, David Q.; Hansen, Thorsten; Goldsmith, Randall H.; Wasielewski, Michael R; Van Duyne, Richard P.; Ratner, Mark A.
In: Journal of Chemical Physics, Vol. 129, No. 5, 054701, 2008.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Understanding quantum interference in coherent molecular conduction
AU - Solomon, Gemma C.
AU - Andrews, David Q.
AU - Hansen, Thorsten
AU - Goldsmith, Randall H.
AU - Wasielewski, Michael R
AU - Van Duyne, Richard P.
AU - Ratner, Mark A
PY - 2008
Y1 - 2008
N2 - Theory and experiment examining electron transfer through molecules bound to electrodes are increasingly focused on quantities that are conceptually far removed from current chemical understanding. This presents challenges both for the design of interesting molecules for these devices and for the interpretation of experimental data by traditional chemical mechanisms. Here, the concept of electronic coupling from theories of intramolecular electron transfer is extended and applied in the scattering theory (Landauer) formalism. This yields a simple sum over independent channels, that is then used to interpret and explain the unusual features of junction transport through cross-conjugated molecules and the differences among benzene rings substituted at the ortho, meta, or para positions.
AB - Theory and experiment examining electron transfer through molecules bound to electrodes are increasingly focused on quantities that are conceptually far removed from current chemical understanding. This presents challenges both for the design of interesting molecules for these devices and for the interpretation of experimental data by traditional chemical mechanisms. Here, the concept of electronic coupling from theories of intramolecular electron transfer is extended and applied in the scattering theory (Landauer) formalism. This yields a simple sum over independent channels, that is then used to interpret and explain the unusual features of junction transport through cross-conjugated molecules and the differences among benzene rings substituted at the ortho, meta, or para positions.
UR - http://www.scopus.com/inward/record.url?scp=49349111489&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=49349111489&partnerID=8YFLogxK
U2 - 10.1063/1.2958275
DO - 10.1063/1.2958275
M3 - Article
C2 - 18698915
AN - SCOPUS:49349111489
VL - 129
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 5
M1 - 054701
ER -