Influence of Conformation on Conductance of Biphenyl-Dithiol Single-Molecule Contacts

Mishchenko, Artem and Vonlanthen, David and Meded, Velimir and Bürkle, Marius and Li, Chen and Pobelov, Ilya V. and Bagrets, Alexei and Viljas, Janne K. and Pauly, Fabian and Evers, Ferdinand and Mayor, Marcel and Wandlowski, Thomas. (2010) Influence of Conformation on Conductance of Biphenyl-Dithiol Single-Molecule Contacts. Nano Letters, 10 (1). pp. 156-163.

Full text not available from this repository.

Official URL: http://edoc.unibas.ch/dok/A5260048

Downloads: Statistics Overview


The conductance of a family of biphenyl-dithiol derivatives with conformationally fixed torsion angle was measured using the scanning tunneling microscopy (STM)-break-junction method. We found that it depends on the torsion angle Φ between two phenyl rings; twisting the biphenyl system from flat (Φ = 0°) to perpendicular (Φ = 90°) decreased the conductance by a factor of 30. Detailed calculations of transport based on density functional theory and a two level model (TLM) support the experimentally obtained cos2 Φ correlation between the junction conductance G and the torsion angle Φ. The TLM describes the pair of hybridizing highest occupied molecular orbital (HOMO) states on the phenyl rings and illustrates that the π-π coupling dominates the transport under "off-resonance" conditions where the HOMO levels are well separated from the Femi energy.
Faculties and Departments:05 Faculty of Science > Departement Chemie > Chemie > Molecular Devices and Materials (Mayor)
UniBasel Contributors:Mayor, Marcel and Vonlanthen, David
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:American Chemical Society
Note:Publication type according to Uni Basel Research Database: Journal article
Identification Number:
Last Modified:05 Apr 2017 13:36
Deposited On:22 Mar 2012 14:07

Repository Staff Only: item control page