Inelastic tunneling spectroscopy of alkanethiol molecules: High-resolution spectroscopy and theoretical simulations

Norio Okabayashi, Magnus Paulsson, Hiromu Ueba, Youhei Konda, Tadahiro Komeda

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    59 Citations (Scopus)

    Abstract

    We investigate inelastic electron tunneling spectroscopy (IETS) for alkanethiol self-assembled monolayers (SAM) with a scanning tunneling microscope and compare it to first-principles calculations. Using a combination of partial deuteration of the molecule and high-resolution measurements, we identify and differentiate between methyl (CH3) and methylene (CH2) groups and their symmetric and asymmetric C-H stretch modes. The calculations agree quantitatively with the measured IETS in producing the weight of the symmetric and asymmetric C-H stretch modes while the methylene stretch mode is largely underestimated. We further show that inelastic intermolecular scattering is important in the SAM by plotting the theoretical current densities.

    Original languageEnglish
    Article number077801
    JournalPhysical review letters
    Volume104
    Issue number7
    DOIs
    Publication statusPublished - 2010 Feb 18

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

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