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Correlation of breaking forces, conductances and geometries of molecular junctions

Lookup NU author(s): Dr Thomas PopeORCiD



This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).


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.

Publication metadata

Author(s): Yoshida K, Pobelov IV, Manrique DZ, Pope T, Mészáros G, Gulcur M, Bryce MR, Lambert CJ, Wandlowski T

Publication type: Article

Publication status: Published

Journal: Scientific Reports

Year: 2015

Volume: 5

Online publication date: 11/03/2015

Acceptance date: 29/01/2015

Date deposited: 27/07/2017

ISSN (electronic): 2045-2322

Publisher: Nature Publishing Group


DOI: 10.1038/srep09002


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