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Molecular conduction through adlayers: cooperative effects can help or hamper electron transport
Matthew G Reuter1, Tamar Seideman, Mark A Ratner
1Department of Chemistry, Northwestern University, Evanston, Illinois 60208-3113, United States. mgreuter@u.northwestern.edu
Nano Letters
|October 20, 2011
Summary
Cooperative effects in molecular adlayers enhance or diminish electron transport compared to single wires. Adlayer density is crucial, with substrate coupling dominating dense layers for optimal conduction.
Area of Science:
- Molecular electronics
- Condensed matter physics
- Quantum transport
Background:
- Understanding electron transport through molecular junctions is key for molecular electronics.
- Cooperative effects in molecular assemblies can alter transport properties.
- Previous models often focused on isolated molecular wires.
Purpose of the Study:
- To investigate cooperative effects in molecular adlayers on electron transport.
- To determine the influence of interwire distance and coupling mechanisms.
- To identify conditions for maximizing conduction in molecular adlayers.
Main Methods:
- Utilizing a one-electron, tight-binding model.
- Simulating a molecular adlayer sandwiched between metal electrodes.
- Analyzing electron transport influenced by cooperative effects.
Main Results:
- Adlayers exhibit cooperative effects enhancing conduction away from resonance and diminishing it near resonance.
- Interwire distance (adlayer density) is a critical factor.
- Substrate-mediated coupling dominates cooperative effects in dense adlayers.
- Direct interwire coupling is more significant in sparser adlayers.
Conclusions:
- Cooperative effects in dense adlayers are significant and cannot be easily removed.
- An optimal adlayer density exists for maximizing electron conduction.
- The findings provide insights into designing molecular electronic devices.
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