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O: Fachverband Oberflächenphysik

O 42: Poster Session II (Nanostructures at surfaces: arrays; Nanostructures at surfaces: Dots, particles, clusters; Nanostructures at surfaces: Other; Nanostructures at surfaces: Wires, tubes; Metal substrates: Adsorption of O and/or H; Metal substrates: Clean surfaces; Metal substrates: Adsorption of organic/bio moledules; Metal substrates: Solid-liquid interfaces; Metal substrates: Adsorption of inorganic molecules; Metal substrates: Epitaxy and growth; Heterogeneous catalysis; Surface chemical reactions; Ab-initio approaches to excitations in condensed matter; Organic, polymeric, biomolecular films– also with adsorbates; Particles and clusters)

O 42.7: Poster

Mittwoch, 25. März 2009, 17:45–20:30, P2

Theoretical study of nucleation processes on patterned surfaces — •Stefan Frieder Hopp and Andreas Heuer — Institut für Physikalische Chemie, Universität Münster, 48149 Münster, Germany

The properties of template-directed nucleation are studied in the transition region where full nucleation control is lost and additional nucleation beyond the pre-patterned structure is observed. To get deeper insight into the microscopic mechanisms, Monte Carlo simulations are performed. In this context, the previously used continuous algorithm [1] is replaced by a discrete one to reduce simulation time and to allow more detailed calculations. The applied method is based on the assumption that the molecules on the surface occupy the sites of a simple fcc lattice. It is shown that the simulation results presented in [1],[2] can be reproduced quite well by the discrete algorithm. Furthermore, the new method facilitates the calculation of the distribution of nuclei on the surface by using the radial distribution function g(r) which provides another possibility of comparison with experimental data.

[1] F. Kalischewski, J. Zhu, A. Heuer. Loss of control in pattern-directed nucleation: a theoretical study. Phys. Rev. B 77, 155401, (2008).

[2] F. Kalischewski, A. Heuer. Dynamic effects on the loss of control in template-directed nucleation, preprint (2008)