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Determination of the adsorption geometry of PTCDA on the Cu(100) surface

DOI: 10.1103/PhysRevB.96.075414 DOI Help

Authors: Simon Weiss (Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich) , Ina Krieger (Institut für Physikalische und Theoretische Chemie der Universität Bonn) , Timo Heepenstrick (Institut für Physikalische und Theoretische Chemie der Universität Bonn) , Serguei Soubatch (Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich) , Moritz Sokolowski (Institut für Physikalische und Theoretische Chemie der Universität Bonn) , F. Stefan Tautz (Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Physical Review B , VOL 96

State: Published (Approved)
Published: August 2017
Diamond Proposal Number(s): 9722

Abstract: The adsorption geometry, namely the height and the site, of 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) on the Cu(100) surface was determined by the normal incidence x-ray standing wave (NIXSW) technique including triangulation. The two PTCDA molecules in the superstructure unit cell, which have perpendicular azimuthal orientation, are both located at bridge sites, the long molecular axis being parallel to the bridge. Carboxylic oxygen atoms and several atoms of the carbon backbone are located close to on-top positions. The vertical distortion motif of PTCDA on Cu(100) differs from that on the three low-index Ag surfaces, because significant downward displacement of the carboxylic oxygen atoms is lacking. In particular, the carbon backbone of PTCDA adsorbs closer to the surface than extrapolated from Ag data. This suggests a relative increase of the attractive interactions between the carbon backbone of PTCDA and the Cu(100) surface versus the attractive interactions on the carboxylic oxygen atoms.

Journal Keywords: Surface adsorption; Physical Systems; Monolayer films; X-ray standing waves

Subject Areas: Materials, Physics


Instruments: I09-Surface and Interface Structural Analysis