Understanding quantum interference in coherent molecular conduction

Gemma C. Solomon; David Q. Andrews; Thorsten Hansen; Randall H. Goldsmith; Michael R. Wasielewski; Richard P. Van Duyne; Mark A. Ratner

doi:10.1063/1.2958275

Understanding quantum interference in coherent molecular conduction

Gemma C. Solomon, David Q. Andrews, Thorsten Hansen, Randall H. Goldsmith, Michael R. Wasielewski, Richard P. Van Duyne, Mark A. Ratner

Chemistry

Research output: Contribution to journal › Article › peer-review

243 Scopus citations

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 (US)
Article number	054701
Journal	Journal of Chemical Physics
Volume	129
Issue number	5
DOIs	https://doi.org/10.1063/1.2958275
State	Published - 2008

Funding

This work was funded by the NSF-Chemistry (Nos. CHE-0719420, CHE-0414554, and CHE-0718928), the NSF-MRSEC (No. DMR-0520513), the ONR-Chemistry, and the American Australian Foundation. We thank Michael Galperin and Abraham Nitzan for helpful discussions and the referee of this paper for helpful remarks.

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.2958275

Cite this

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title = "Understanding quantum interference in coherent molecular conduction",

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.",

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AU - Van Duyne, Richard P.

AU - Ratner, Mark A.

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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.

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Understanding quantum interference in coherent molecular conduction

Abstract

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