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Correlation of breaking forces, conductances and geometries of molecular junctions

Yoshida, Koji; Pobelov, Ilya V.; Manrique, David Zsolt; Pope, Thomas; Mészáros, Gábor; Gulcur, Murat; Bryce, Martin R.; Lambert, Colin J.; Wandlowski, Thomas

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Koji Yoshida

Ilya V. Pobelov

David Zsolt Manrique

Thomas Pope

Gábor Mészáros

Murat Gulcur

Colin J. Lambert

Thomas Wandlowski


Electrical and mechanical properties of elongated gold-molecule-gold junctions formed by tolane-type molecules with different anchoring groups (pyridyl, thiol, amine, nitrile and dihydrobenzothiophene) were studied in current-sensing force spectroscopy experiments and density functional simulations. Correlations between forces, conductances and junction geometries demonstrate that aromatic tolanes bind between electrodes as single molecules or as weakly-conductive dimers held by mechanically-weak π − π stacking. In contrast with the other anchors that form only S-Au or N-Au bonds, the pyridyl ring also forms a highly-conductive cofacial link to the gold surface. Binding of multiple molecules creates junctions with higher conductances and mechanical strengths than the single-molecule ones.


Yoshida, K., Pobelov, I. V., Manrique, D. Z., Pope, T., Mészáros, G., Gulcur, M., …Wandlowski, T. (2015). Correlation of breaking forces, conductances and geometries of molecular junctions. Scientific Reports, 5,

Journal Article Type Article
Acceptance Date Jan 29, 2015
Publication Date Mar 11, 2015
Deposit Date Mar 26, 2015
Publicly Available Date Apr 2, 2015
Journal Scientific Reports
Publisher Nature Research
Peer Reviewed Peer Reviewed
Volume 5


Published Journal Article (740 Kb)

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