Orientation, electronic decoupling and band dispersion of heptacene on modified and nanopatterned copper surfaces

The adsorption of heptacene (7 A) on Cu(110) and Cu(110)-(2 × 1)-O was studied with scanning tunneling microscopy, photoemission orbital tomography and density functional calculations to reveal the influence of surface passivation on the molecular geometry and electronic states. We found that the ch...

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Bibliographic Details
Published in:Journal of physics. Condensed matter 2023-11, Vol.35 (47), p.475003
Main Authors: Boné, Thomas, Windischbacher, Andreas, Scheucher, Lukas, Presel, Francesco, Schnabl, Paul, Wagner, Marie S, Bettinger, Holger F, Peisert, Heiko, Chassé, Thomas, Puschnig, Peter, Ramsey, Michael G, Sterrer, Martin, Koller, Georg
Format: Article
Language:English
Subjects:
acene
charge transfer
decoupling
photoemission orbital tomography
scanning tunneling microscopy
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Summary:The adsorption of heptacene (7 A) on Cu(110) and Cu(110)-(2 × 1)-O was studied with scanning tunneling microscopy, photoemission orbital tomography and density functional calculations to reveal the influence of surface passivation on the molecular geometry and electronic states. We found that the charge transfer into the 7 A molecules on Cu(110) is completely suppressed for the oxygen-modified Cu surface. The molecules are aligned along the Cu-O rows and uncharged. They are tilted due to the geometry enforced by the substrate and the ability to maximize intermolecular π-π overlap, which leads to strong π-band dispersion. The HOMO-LUMO gap of these decoupled molecules is significantly larger than that reported on weakly interacting metal surfaces. Finally, the Cu-O stripe phase was used as a template for nanostructured molecular growth and to assess possible confinement effects.
ISSN:0953-8984
1361-648X
DOI:10.1088/1361-648X/acf105