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Berlin 2018 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 6: Graphene: Electronic properties, structure and substrate interaction I (joint session O/TT)

O 6.1: Vortrag

Montag, 12. März 2018, 10:30–10:45, MA 043

A Molecular Model System for 5-7 Defects in Graphene — •Benedikt P. Klein1, Markus Franke2, Claudio K. Krug1, Stefan R. Kachel1, Phil Rosenow1, Francois Posseik2, Martin Schmid1, Reinhard J. Maurer3, Ralf Tonner1, Christian Kumpf2, and J. Michael Gottfried11Fachbereich Chemie, Philipps-Universität Marburg, Germany — 2Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, Germany — 3Department of Chemistry, University of Warwick, United Kingdom

The electronic and mechanical properties of graphene are strongly influenced by the presence of defects. One important type of defect is the 5-7 motif with a 5-membered ring adjacent to a 7-membered ring. Little is known about the interaction of 5-7 defects with an underlying substrate. In this study, we have obtained insight into this interaction by using molecular model systems. As a model for the 5-7 defects we use azulene, which is a bicyclic aromatic compound with a 5- and a 7-membered ring, while naphthalene is used as a model for the regular 6-6 motif. We investigated both molecules on Cu(111) and Ag(111) using PES, NEXAFS, TPD, scanning probe and NIXSW experiments. To deepen the understanding of the occurring interactions between molecule and surface, periodic DFT calculations were performed. The more localized frontier orbitals of azulene result in a much stronger and more localized interaction with the Cu(111) surface. This leads to interfacial charge transfer in the former LUMO and substantial in-plane and out-of-plane deformations, as well as a much smaller adsorption height.

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