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Letter

Doping Molecular Wires

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Georg Heimel*^†^‡, Egbert Zojer^§, Lorenz Romaner, Jean-Luc Brédas and Francesco Stellacci^‡

Institut für Physik, Humboldt-Universität zu Berlin, Newtonstrasse 15, D-12489 Berlin, Germany, Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, Institute of Solid State Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz, Austria, Chair of Atomistic Modeling and Design of Materials, University of Leoben, Franz-Josef-Strasse 18, A-8700 Leoben, Austria, and School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, 901 Atlantic Drive NW, Atlanta, Georgia 30332-0400

Nano Lett., 2009, 9 (7), pp 2559–2564

DOI: 10.1021/nl9006613

Publication Date (Web): June 8, 2009

* To whom correspondence should be addressed: georg.heimel@physik.hu-berlin.de., †

Humboldt-Universität zu Berlin.

, ‡

Massachusetts Institute of Technology.

, §

Graz University of Technology.

University of Leoben.

Georgia Institute of Technology.

Section:

Electric Phenomena

Abstract

The concept of doping inorganic semiconductors enabled their successful application in electronic devices. Furthermore, the discovery of metal-like conduction in doped polymers started the entire field of organic electronics. In the present theoretical study, we extend the concept of doping to monomolecular wires suspended between two metal electrodes. Upon doping, the conductivity of representative model systems is found to increase by 2 orders of magnitude. More importantly, by providing a thorough understanding of the underlying mechanisms, our results pave the way for the development of novel molecular components envisioned as functional units in nanoscale devices.

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