Adsorption and Intermolecular Interaction of Cobalt Phthalocyanine on CoO(111) Ultrathin Films: An STM and DFT Study

Beitrag in einer Fachzeitschrift


Details zur Publikation

Autor(en): Schmitt T, Ferstl P, Hammer L, Schneider MA, Redinger J
Zeitschrift: Journal of Physical Chemistry C
Verlag: AMER CHEMICAL SOC
Jahr der Veröffentlichung: 2017
Band: 121
Heftnummer: 5
Seitenbereich: 2889-2895
ISSN: 1932-7447
Sprache: Englisch


Abstract


We investigate the adsorption of cobalt phthalocyanine (CoPc) molecules on a thin layer of cobalt oxide grown on Ir(100). To that end we compare the results of low-temperature scanning tunneling microscopy (STM) with those of ab initio density functional theory (DFT) calculations and reveal the adsorption geometry. We find that the CoPc molecules lie flat on the surface and that their central cobalt atom forms a chemical bond to a substrate oxygen ion. However, this bond contributes only modestly to the adsorption energy, while van der Waals forces dominate the potential landscape and determine to a large extent the geometry as well as the distortion of substrate and molecule. Furthermore, they lead to attractive molecule-molecule interactions at higher molecular coverages. The DFT calculations predict energetic positions of the molecular orbitals, which are compared to scanning tunneling spectroscopy (STS) measurements.



FAU-Autoren / FAU-Herausgeber

Ferstl, Pascal
Professur für Experimentalphysik
Hammer, Lutz Dr.
Lehrstuhl für Festkörperphysik
Schneider, M. Alexander Prof. Dr.
Professur für Experimentalphysik


Autor(en) der externen Einrichtung(en)
Vienna University of Technology


Zitierweisen

APA:
Schmitt, T., Ferstl, P., Hammer, L., Schneider, M.A., & Redinger, J. (2017). Adsorption and Intermolecular Interaction of Cobalt Phthalocyanine on CoO(111) Ultrathin Films: An STM and DFT Study. Journal of Physical Chemistry C, 121(5), 2889-2895. https://dx.doi.org/10.1021/acs.jpcc.6b12337

MLA:
Schmitt, Tobias, et al. "Adsorption and Intermolecular Interaction of Cobalt Phthalocyanine on CoO(111) Ultrathin Films: An STM and DFT Study." Journal of Physical Chemistry C 121.5 (2017): 2889-2895.

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Zuletzt aktualisiert 2018-10-08 um 17:53