ACS Publications. Most Trusted. Most Cited. Most Read
Incommensurate Quantum Size Oscillations of Oligoacene Wires Adsorbed on Au(111)

OR SEARCH CITATIONS

My Activity
Publications

Figure 1Loading Img
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Phys. Chem. C 2019, 123, 14, 8902-8907
    Article

    Incommensurate Quantum Size Oscillations of Oligoacene Wires Adsorbed on Au(111)
    Click to copy article linkArticle link copied!

    • Michiel J. van Setten
      Michiel J. van Setten
      Nanoscopic Physics, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium
      IMEC, Kapeldreef 75, 3001 Leuven, Belgium
      More by Michiel J. van Setten
    • Dimitra Xenioti
      Dimitra Xenioti
      Institut de Physique et Chimie des Matériaux de Strasbourg, UMR 7504 CNRS-UdS, 23, Rue du Loess, BP 43, 67034 Strasbourg, Cedex 2, France
      More by Dimitra Xenioti
    • Mébarek Alouani
      Mébarek Alouani
      Institut de Physique et Chimie des Matériaux de Strasbourg, UMR 7504 CNRS-UdS, 23, Rue du Loess, BP 43, 67034 Strasbourg, Cedex 2, France
      More by Mébarek Alouani
    • Ferdinand Evers
      Ferdinand Evers
      Institut I - Theoretische Physik, Universität Regensburg, Universitätsstraß e 31, 93053 Regensburg, Germany
      More by Ferdinand Evers
    • Richard Korytár*
      Richard Korytár
      Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University, 121 16 Prague, Czech Republic
      *E-mail: [email protected]
      More by Richard Korytár
      Orcidhttp://orcid.org/0000-0003-4949-4147
    Other Access OptionsSupporting Information (1)

    The Journal of Physical Chemistry C

    Cite this: J. Phys. Chem. C 2019, 123, 14, 8902–8907
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jpcc.8b12213
    Published March 8, 2019
    Copyright © 2019 American Chemical Society
    Request reuse permissions

    Abstract

    Click to copy section linkSection link copied!
    Abstract Image

    Acenes have attracted interest for a long time partly because of their electronic structure and partly because they are expected to show interesting correlation effects. For the isolated molecules, our recent theoretical work suggests a possibility for oscillations of the excitation gaps with the length of the molecule. In view of the recent experimental progress of on-surface synthesis, we employ the density functional theory to investigate here the fate of these oscillations for oligoacenes adsorbed on a Au(111) surface. We show that the surface perturbs the oligoacene gaps seen in isolation only weakly, implying that incommensurate oscillations survive. Effects beyond the density functional description (correlations, charging effects) are discussed.

    Copyright © 2019 American Chemical Society

    Subjects

    what are subjects

    Read this article

    To access this article, please review the available access options below.

    Get instant access

    Purchase Access

    Read this article for 48 hours. Check out below using your ACS ID or as a guest.

    Recommended

    Access through Your Institution

    You may have access to this article through your institution.

    Your institution does not have access to this content. Add or change your institution or let them know you’d like them to include access.

    Supporting Information

    Click to copy section linkSection link copied!

    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jpcc.8b12213.

    • Golden rule calculation of the band broadening to make a quantitative estimate of the band broadening using the supercell calculation (PDF)

    Terms & Conditions

    Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html.

    Cited By

    Click to copy section linkSection link copied!

    This article is cited by 10 publications.

    1. Zilin Ruan, Jakob Schramm, John B. Bauer, Tim Naumann, Laurentia V. Müller, Felix Sättele, Holger F. Bettinger, Ralf Tonner-Zech, J. Michael Gottfried. On-Surface Synthesis and Characterization of Pentadecacene and Its Gold Complexes. Journal of the American Chemical Society 2025, Article ASAP.
    2. Zilin Ruan, Jakob Schramm, John B. Bauer, Tim Naumann, Holger F. Bettinger, Ralf Tonner-Zech, J. Michael Gottfried. Synthesis of Tridecacene by Multistep Single-Molecule Manipulation. Journal of the American Chemical Society 2024, 146 (6) , 3700-3709. https://doi.org/10.1021/jacs.3c09392
    3. Frank Eisenhut, Tim Kühne, Fátima García, Saleta Fernández, Enrique Guitián, Dolores Pérez, Georges Trinquier, Gianaurelio Cuniberti, Christian Joachim, Diego Peña, Francesca Moresco. Dodecacene Generated on Surface: Reopening of the Energy Gap. ACS Nano 2020, 14 (1) , 1011-1017. https://doi.org/10.1021/acsnano.9b08456
    4. Laura Galleni, Daniel Escudero, Geoffrey Pourtois, Michiel J. van Setten. The C1s core levels of polycyclic aromatic hydrocarbons and styrenic polymers: A first-principles study. The Journal of Chemical Physics 2024, 160 (21) https://doi.org/10.1063/5.0206503
    5. E. Black, P. Kratzer, J. M. Morbec. Interaction between pentacene molecules and monolayer transition metal dichalcogenides. Physical Chemistry Chemical Physics 2023, 25 (43) , 29444-29450. https://doi.org/10.1039/D3CP01895D
    6. Anna Pomogaeva, Michael Filatov, Cheol Ho Choi. Manifestations of strong electron correlation in polyacene: Fundamental gap, density of states, and photoconductivity. Carbon Trends 2022, 7 , 100146. https://doi.org/10.1016/j.cartre.2022.100146
    7. Prabhleen Kaur, Md. Ehesan Ali. First principle investigations of long‐range magnetic exchange interactions via polyacene couplers. International Journal of Quantum Chemistry 2021, 121 (20) https://doi.org/10.1002/qua.26756
    8. Christina Tönshoff, Holger F. Bettinger. Pushing the Limits of Acene Chemistry: The Recent Surge of Large Acenes. Chemistry – A European Journal 2021, 27 (10) , 3193-3212. https://doi.org/10.1002/chem.202003112
    9. Mohammed A. Kher-Elden, Ignacio Piquero-Zulaica, Kamel M. Abd El-Aziz, J. Enrique Ortega, Zakaria M. Abd El-Fattah. Metallic bands in chevron-type polyacenes. RSC Advances 2020, 10 (56) , 33844-33850. https://doi.org/10.1039/D0RA06007K
    10. Ferdinand Evers, Richard Korytár, Sumit Tewari, Jan M. van Ruitenbeek. Advances and challenges in single-molecule electron transport. Reviews of Modern Physics 2020, 92 (3) https://doi.org/10.1103/RevModPhys.92.035001
    Download PDF
    Go to The Journal of Physical Chemistry C
    Get e-Alerts
    Get e-Alerts

    The Journal of Physical Chemistry C

    Cite this: J. Phys. Chem. C 2019, 123, 14, 8902–8907
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jpcc.8b12213
    Published March 8, 2019
    Copyright © 2019 American Chemical Society
    Request reuse permissions

    Article Views

    458

    Altmetric

    -

    Citations

    10
    Learn about these metrics

    Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.

    Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.

    The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated.