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O: Fachverband Oberflächenphysik

O 82: Poster Session - Organic Molecules on Inorganic Substrates: Networks and Overlayers

O 82.2: Poster

Mittwoch, 18. März 2020, 18:15–20:00, P2/EG

Surface-templating effect in the self-assembly of carboxyl-functionalized bridged triphenylamine molecules — •Kevin Dhamo¹, Tobias Müller¹, Martin Gurrath¹, Jia Liu², Mirunalini Devarajulu², Sabine Maier², and Bernd Meyer¹ — ¹Interdisciplinary Center for Molecular Materials and Computer-Chemistry-Center, FAU Erlangen-Nürnberg — ²Department of Physics, FAU Erlangen-Nürnberg

Since carboxyl groups form strong hydrogen bonds, one would expect that self-assembly of carboxyl-functionalized molecules is dominated by molecule–molecule interactions. However, in STM and AFM studies of carboxyl-substituted dimethylene-bridged triphenylamine (CDTPA) molecules the formation of very different networks was observed for Au(111), NaCl(001) and KBr(001) substrates. By using density-functional theory (DFT) calculations we analyze in detail the molecule–substrate and the molecule–molecule interactions for the different binding motifs. We show how site-specific interactions and enhanced van der Waals attraction between the molecules at denser packing stabilize alternative network structures depending on the lattice constant of the substrate. The possibility to tune self-assembly of organic molecules via the substrate lattice constant offers another degree of freedom for the rational design of functional molecular structures on surfaces.