Regensburg 2019 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 15: Metal Substrates II: Adsorption and Reactivity

O 15.4: Vortrag

Montag, 1. April 2019, 15:45–16:00, Kunsthalle

Surface Chemical Bond of Alternant and Non-Alternant Aromatic Molecules: Influence of the Metal Surface — •Benedikt P. Klein1, Lukas Ruppenthal1, Markus Franke2, Stefan R. Kachel1, François C. Bocquet2, Ralf Tonner1, Christian Kumpf2, Reinhard J. Maurer3, 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

Metal/organic interfaces have a large impact on the performance of organic-electronic devices. The understanding of their chemical, electronic and geometric structure is therefore of great importance. Up to now, aromatic systems with alternant topology, such as pentacene, have been studied almost exclusively. To adress this neglect of the non-alternant topology, we investigated the adsorption of the non-alternant molecule azulene and its alternant counterpart naphthalene on the (111) surfaces of Cu, Ag and Pt, using a variety of methods including NEXAFS, PES, TPD, and NIXSW. To provide detailed insight into the surface chemical bond, we used complementary periodic DFT calculations including the deconvolution of DOS and NEXAFS simulations in the molecular orbital contributions. Our results show that the non-alternant molecule binds slightly stronger on Ag, where both molecules are physisorbed, and on Pt, where both are chemisorbed. On the Cu surface the difference is largest with the non-alternant molecule chemisorbed in contrast to the physisorbed alternant molecule.

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