Effects of intermolecular interaction on inelastic electron tunneling spectra

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  • Mathias Kula
    Royal Institute of Technology Theoretical Chemistry, , AlbaNova, S-106 91 Stockholm, Sweden
  • Yi Luo
    Royal Institute of Technology Theoretical Chemistry, , AlbaNova, S-106 91 Stockholm, Sweden

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<jats:p>We have examined the effects of intermolecular interactions on the inelastic electron tunneling spectroscopy (IETS) of model systems: a pair of benzenethiol or a pair of benzenedithiol sandwiched between gold electrodes. The dependence of the IETS on the mutual position of and distance between the paired molecules has been predicted and discussed in detailed. It is shown that, although in most cases, there are clear spectral fingerprints present which allow identification of the actual structures of the molecules inside the junction. Caution must be exercised since some characteristic lines can disappear at certain symmetries. The importance of theoretical simulation is emphasized.</jats:p>

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