Dresden 2014 – scientific programme

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O: Fachverband Oberflächenphysik

O 11: Nanostructures at Surfaces I

O 11.7: Talk

Monday, March 31, 2014, 12:00–12:15, WIL C107

Structure formation of lipophilic molecules on surfaces: a computational study — •Pritam Kumar Jana and Andreas Heuer — Institute of Physical Chemistry, University of Muenster, Corrensstr. 28/30, Muenster, Germany

Understanding of STM images of different adsorbed molecules and the mechanism of structure formation is a very important aspect in the field of surface science due to its technological relevance. Here we are interested in the structure formation of lipophilic molecules, containing a nucleobase as the head group. Recently the group of Prof. Lifeng Chi has observed that N9-substituted adenine derivative in solution form two different types of structures (intercalation vs. stripe patterns) on the surface[1]. Repeating this experiment for vapor deposited molecules, an additional impact of deposition rate and substrate temperature on structure formation can be seen.

We present kinetic lattice Monte Carlo simulations where the molecules are represented in a minimum fashion, keeping the key properties of hydrogen bonding and van der Waals chain-chain interaction. Most model parameters can be taken from quantum-chemical calculations[1]. The quality of structure formation in dependence on flux and temperature as well as the relative fraction of both phases is analysed and compared with the experimental data.

[1] Z. Mu, O. Rubner, M. Bamler, T. Blömker, G. Kehr, G. Erker, A. Heuer, H. Fuchs, and L. Chi, Langmuir 29 (2013) 10737-10743.