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The Atomic-Scale Motion of Thiophene on Cu(111)

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Studying Complex Surface Dynamical Systems Using Helium-3 Spin-Echo Spectroscopy

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Abstract

Self-assembled monolayers of sulfur-containing heterocycles and linear oligomers-containing thiophene groups are widely employed in organic electronic applications. Here, the surface dynamics of thiophene on Cu(111) are investigated by helium-3 spin-echo spectroscopy and molecular dynamics simulations. Thiophene adsorbs on top sites and forms a covalent S-Cu bond. Two competing activated processes are observed, manifest in a kink in the Arrhenius plot: jump diffusion between adjacent top sites over a barrier of 59–62 meV and rotation around the S-Cu anchor point over a barrier of 17 \(\pm \) 2 meV. In addition, flapping between different tilt angles is observed. MD simulations of the diffusive motion reveal an exceptionally high friction coefficient of 5 \(\pm \) 2 \(\mathrm{ps}^{-1}\).

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Notes

  1. 1.

    At low \(\Delta {\varvec{K}}\) values the isfs are not fully resolved with the beam energy used but the resolution is sufficient to determine the curvature of the isfs.

  2. 2.

    It should be noted that the momentum transfer dependence shows a somewhat different behaviour at large \(\Delta {\varvec{K}}\) when the data are analysed from a smaller time, \(t\), due to the mixing of different processes. However, no significant change was observed in the temperature and momentum transfer dependence at low \(\Delta {\varvec{K}}\).

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Authors and Affiliations

  1. Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA

    Barbara A. J. Lechner

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Correspondence to Barbara A. J. Lechner .

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Lechner, B.A.J. (2014). The Atomic-Scale Motion of Thiophene on Cu(111). In: Studying Complex Surface Dynamical Systems Using Helium-3 Spin-Echo Spectroscopy. Springer Theses. Springer, Cham. https://doi.org/10.1007/978-3-319-01180-6_7

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