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

Journal article


Publication Details

Author(s): Schmitt T, Ferstl P, Hammer L, Schneider MA, Redinger J
Journal: Journal of Physical Chemistry C
Publisher: AMER CHEMICAL SOC
Publication year: 2017
Volume: 121
Journal issue: 5
Pages range: 2889-2895
ISSN: 1932-7447
Language: English


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 Authors / FAU Editors

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


External institutions
Vienna University of Technology


How to cite

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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Last updated on 2018-10-08 at 17:53