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Revealing the Role of Anchoring Groups in the Electrical Conduction Through Single‐Molecule Junctions
Abstract
A combined experimental and theoretical study is presented revealing the influence of metal–molecule coupling on electronic transport through single‐molecule junctions. Transport experiments through tolane molecules attached to gold electrodes via thiol, nitro, and cyano anchoring groups are performed. By fitting the experimental current–voltage characteristics to a single‐level tunneling model, we extract both the position of the molecular orbital closest to the Fermi energy and the strength of the metal–molecule coupling. The values found for these parameters are rationalized with the help of density‐functional‐theory‐based transport calculations. In particular, these calculations show that the anchoring groups determine the junction conductance by controlling not only the strength of the coupling to the metal but also the position of the relevant molecular energy levels.
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Cites
Electronic Transport in Mesoscopic Systems
Datta, S. (1995) · doi:10.1017/cbo9780511805776 · Cited by 7,704
Cited by
Metzger, R. M. (2015) · Chemical Reviews · doi:10.1021/cr500459d · Cited by 380
Metadata
- Authors
- Zotti, L. A., Kirchner, T., Cuevas, J., Pauly, F., Huhn, T., Scheer, E., & Erbe, A.
- Venue
- Small
- Publisher
- Wiley
- Published
- 2010-07-09
- Volume
- 6
- Issue
- 14
- Pages
- 1529-1535
- ISSN
- 1613-6810 (ISSN-L)
- 1613-6829
- OpenAlex
- W2149795011
- Cited by
- 234
- References
- 1
- FWCI
- 9.97
- Type
- journal article
- Language
- en
- Open access
- closed
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- Zotti, L. A., Kirchner, T., Cuevas, J., Pauly, F., Huhn, T., Scheer, E., & Erbe, A. (2010). Revealing the Role of Anchoring Groups in the Electrical Conduction Through Single‐Molecule Junctions. Small. https://doi.org/10.1002/smll.200902227
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