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On-Surface Hydrogenation of Buckybowls: From Curved Aromatic Molecules to Planar Non-Kekulé Aromatic Hydrocarbons
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    On-Surface Hydrogenation of Buckybowls: From Curved Aromatic Molecules to Planar Non-Kekulé Aromatic Hydrocarbons
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    • Christian Wäckerlin
      Christian Wäckerlin
      Surface Science and Coating Technologies, Empa, Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, 8600 Dübendorf, Switzerland
      Institute of Physics of the Czech Academy of Sciences, Cukrovarnická 10, 162 00 Praha 6, Czech Republic
    • Aurelio Gallardo
      Aurelio Gallardo
      Institute of Physics of the Czech Academy of Sciences, Cukrovarnická 10, 162 00 Praha 6, Czech Republic
      Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, 180 00 Praha, Czech Republic
    • Anaïs Mairena
      Anaïs Mairena
      Surface Science and Coating Technologies, Empa, Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, 8600 Dübendorf, Switzerland
    • Miloš Baljozović
      Miloš Baljozović
      Surface Science and Coating Technologies, Empa, Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, 8600 Dübendorf, Switzerland
    • Aleš Cahlík
      Aleš Cahlík
      Institute of Physics of the Czech Academy of Sciences, Cukrovarnická 10, 162 00 Praha 6, Czech Republic
      Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University in Prague, Břehová 78/7, 115 19 Praha 1, Czech Republic
    • Andrej Antalík
      Andrej Antalík
      J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i. Dolejškova 3, 18223 Praha 8, Czech Republic
    • Jiří Brabec
      Jiří Brabec
      J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i. Dolejškova 3, 18223 Praha 8, Czech Republic
    • Libor Veis
      Libor Veis
      J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i. Dolejškova 3, 18223 Praha 8, Czech Republic
      More by Libor Veis
    • Dana Nachtigallová
      Dana Nachtigallová
      Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i., Flemingovo nam. 2, 16610 Praha 6, Czech Republic
    • Pavel Jelínek
      Pavel Jelínek
      Institute of Physics of the Czech Academy of Sciences, Cukrovarnická 10, 162 00 Praha 6, Czech Republic
    • Karl-Heinz Ernst*
      Karl-Heinz Ernst
      Surface Science and Coating Technologies, Empa, Swiss Federal Laboratories for Materials Science and Technology, Überlandstrasse 129, 8600 Dübendorf, Switzerland
      Institute of Physics of the Czech Academy of Sciences, Cukrovarnická 10, 162 00 Praha 6, Czech Republic
      Institute of Physics of the Czech Academy of Sciences, Cukrovarnická 10, 162 00 Praha 6, Czech Republic
      *E-mail: [email protected]
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    ACS Nano

    Cite this: ACS Nano 2020, 14, 12, 16735–16742
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    https://doi.org/10.1021/acsnano.0c04488
    Published July 20, 2020
    Copyright © 2020 American Chemical Society

    Abstract

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    Functionalization of surfaces with derivatives of Buckminsterfullerene fragment molecules seems to be a promising approach toward bottom-up fabrication of carbon nanotube modified electrode surfaces. The modification of a Cu(100) surface with molecules of the buckybowl pentaindenocorannulene has been studied by means of scanning tunneling microscopy, carbon monoxide-modified noncontact atomic force microscopy, time-of-flight secondary mass spectrometry, and quantum chemical calculations. Two different adsorbate modes are identified, in which the majority is oriented such that the bowl cavity points away from the surface and the convex side is partially immersed into a four-atom vacancy in the Cu(100) surface. A minority is oriented such that the convex side points away from the surface with the five benzo tabs oriented basically parallel to the surface. Thermal annealing leads to hydrogenation and planarization of the molecules in two steps under specific C–C bond cleavage. The benzo tabs of the convex side up species serve as a hydrogen source. The final product has an open-shell electron structure that is quenched on the surface.

    Copyright © 2020 American Chemical Society

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    Supporting Information

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    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acsnano.0c04488.

    • Experimental parameters, comparison of DFT calculations, AFM height analyses, additional ToF-SIM spectra, product statistics, additional STM and AFM images, and density of states calculation results (PDF)

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    Cited By

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    This article is cited by 16 publications.

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    ACS Nano

    Cite this: ACS Nano 2020, 14, 12, 16735–16742
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acsnano.0c04488
    Published July 20, 2020
    Copyright © 2020 American Chemical Society

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