Regensburg 2016 – scientific programme

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O: Fachverband Oberflächenphysik

O 3: Focus Session: Morphology Prediction at Interfaces

O 3.4: Topical Talk

Monday, March 7, 2016, 12:00–12:30, S051

Morphology and growth of organic molecules at structured surfaces — •Sabine H.L. Klapp and Nicola Kleppmann — Institut für Theoretische Physik, Sekr. EW 7-1, Technische Universität Berlin, Hardenbergstrasse 36, 10623 Berlin

We report about recent progress in modelling organic molecules at structured inorganic, particularly semiconductor surfaces on a coarse-grained level of description. We start by discussing multilayer growth of the organic molecule C60. Based on kinetic MC simulations we quantify this time-dependent process and extract a self-consistent set of energy parameters, which lead to excellent agreement with parallel, real-time x-ray measurements. We then proceed to the structure formation and dynamics of the strongly anisotropic molecule para-sexiphenyl (6P) at ZnO surfaces. To this end we propose a new, coarse-grained model which aims at representing heuristically the different electrostatic and steric interactions occuring at the charge-patterned surface ZnO(10-10). Corresponding MC simulations of the equilibrium behavior reveal indeed a complex interplay of the different contributions of this coarse-grained Hamiltonian. Finally, based on kMC simulations and a rate equation approach we explore the non-equilibrium surface growth of 6P at finite adsorption rates, revealing re-entrant effects, a critical adsorption rate and observables that are non monotonous with the adsorption rate. Our results form a basis for understanding and predicting collective orientational ordering during growth in hybrid material systems.