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Correlation of breaking forces, conductances and geometries of molecular junctions

Research output: Contribution to journalJournal article

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  • Koji Yoshida
  • Ilya V. Pobelov
  • David Zsolt Manrique
  • Tom Pope
  • Gabor Meszaros
  • Murat Gulcur
  • Martin R. Bryce
  • Colin J. Lambert
  • Thomas Wandlowski
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Article number9002
<mark>Journal publication date</mark>11/03/2015
<mark>Journal</mark>Scientific Reports
Volume5
Number of pages8
Publication statusPublished
Original languageEnglish

Abstract

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 pi - pi 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.