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Design and Characterization of an Electrically Powered Single Molecule on Gold

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† Department of Physics, University of Basel, Klingelbergstrasse 82, 4056 Basel, Switzerland
‡ Delft University of Technology, Department of Chemical Engineering, van de Maasweg 9, 2629 HZ Delft, The Netherlands
CEMES-CNRS, NanoSciences Group & MANA Satellite, 29 rue Jeanne Marvig, BP 94347, Toulouse F-31055 Cedex 4, France
§ Department of Chemistry, University of Basel, Spitalstrasse 51, 4056 Basel, Switzerland
*E-mail: [email protected]
*E-mail: [email protected]
Cite this: ACS Nano 2017, 11, 10, 9930–9940
Publication Date (Web):July 30, 2017
https://doi.org/10.1021/acsnano.7b03955
Copyright © 2017 American Chemical Society
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    Abstract

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    The surface diffusion of individual molecules is of paramount importance in self-assembly processes and catalytic processes. However, the fundamental understanding of molecule diffusion peculiarities considering conformations and adsorption sites remain poorly known at the atomic scale. Here, we probe the 4′-(4-tolyl)-2,2′:6′,2″-terpyridine adsorbed on the Au(111) herringbone structure combining scanning tunneling microscopy and atomic force microscopy. Molecules are controllably translated by electrons excitations over the reconstruction, except at elbows acting as pinning centers. Experimental data supported by theoretical calculations show the formation of coordination bonds between the molecule and Au atoms of the surface. Using force spectroscopy, we quantify local variation of the surface potential and the lateral force required to move the molecule. We found an elevation of the diffusion barrier at elbows of the reconstruction of ∼100 meV compared to the rest of the surface.

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    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acsnano.7b03955.

    • Additional STM image of the gold surface; DFT calculation of another absorption site of the flat ”valley” conformation; DFT calculation of the molecular orbitals (PDF)

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