Jump to main content
Jump to site search

Issue 24, 2014
Previous Article Next Article

Precursor configurations and post-rupture evolution of Ag–CO–Ag single-molecule junctions

Author affiliations

Abstract

Experimental correlation analysis and first-principles theory are used to probe the structure and evolution of Ag–CO–Ag single-molecule junctions both before the formation and after the rupture of the junctions. Two dimensional correlation histograms and conditional histograms demonstrate that prior to the single-molecule bridge configuration the CO molecule is already bound parallel to the Ag single-atom contact. This molecular precursor configuration is accompanied by the opening of additional conductance channels compared to the single-channel transport in pure Ag monoatomic junctions. To investigate the post-rupture evolution of the junction we introduce a cross-correlation analysis between the opening and the subsequent closing conductance traces. This analysis implies that the molecule is bound rigidly to the apex of one electrode, and so the same single-molecule configuration is re-established as the junction is closed. The experimental results are confirmed by ab initio simulations of the evolution of contact geometries, transmission eigenvalues and scattering wavefunctions.

Graphical abstract: Precursor configurations and post-rupture evolution of Ag–CO–Ag single-molecule junctions

Back to tab navigation

Publication details

The article was received on 12 Aug 2014, accepted on 28 Sep 2014 and first published on 29 Sep 2014


Article type: Paper
DOI: 10.1039/C4NR04645E
Citation: Nanoscale, 2014,6, 14784-14791
  • Open access: Creative Commons BY license
  •   Request permissions

    Precursor configurations and post-rupture evolution of Ag–CO–Ag single-molecule junctions

    Z. Balogh, D. Visontai, P. Makk, K. Gillemot, L. Oroszlány, L. Pósa, C. Lambert and A. Halbritter, Nanoscale, 2014, 6, 14784
    DOI: 10.1039/C4NR04645E

    This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements