Publikation: Revealing the Role of Anchoring Groups in the Electrical Conduction Through Single-Molecule Junctions
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Small. 2010, 6(14), pp. 1529-1535. Available under: doi: 10.1002/smll.200902227
Zusammenfassung
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.
Zusammenfassung in einer weiteren Sprache
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530 Physik
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anchoring groups, break junctions, density functional theory, molecular electronics, molecular wires
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ZOTTI, Linda A., Thomas KIRCHNER, Juan Carlos CUEVAS, Fabian PAULY, Thomas HUHN, Elke SCHEER, Artur ERBE, 2010. Revealing the Role of Anchoring Groups in the Electrical Conduction Through Single-Molecule Junctions. In: Small. 2010, 6(14), pp. 1529-1535. Available under: doi: 10.1002/smll.200902227BibTex
@article{Zotti2010Revea-4890,
year={2010},
doi={10.1002/smll.200902227},
title={Revealing the Role of Anchoring Groups in the Electrical Conduction Through Single-Molecule Junctions},
number={14},
volume={6},
journal={Small},
pages={1529--1535},
author={Zotti, Linda A. and Kirchner, Thomas and Cuevas, Juan Carlos and Pauly, Fabian and Huhn, Thomas and Scheer, Elke and Erbe, Artur}
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<dcterms:abstract xml:lang="eng">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.</dcterms:abstract>
<dc:contributor>Huhn, Thomas</dc:contributor>
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