Regensburg 2010 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 59: Poster Session II (Nanostructures at surfaces: Dots, particles, clusters; Nanostructures at surfaces: arrays; Nanostructures at surfaces: Wires, tubes; Nanostructures at surfaces: Other; Plasmonics and nanooptics; Metal substrates: Epitaxy and growth; Metal substrates: Solid-liquid interfaces; Metal substrates: Adsoprtion of organic / bio molecules; Metal substrates: Adsoprtion of inorganic molecules; Metal substrates: Adsoprtion of O and/or H; Metal substrates: Clean surfaces; Density functional theory and beyond for real materials)
O 59.73: Poster
Mittwoch, 24. März 2010, 17:45–20:30, Poster B1
What encodes the diversity and ordering of self-organized monolayers? — •Carsten Rohr1, Marta Balbás Gambra2, Kathrin Gruber1, Edwin C. Constable3, Erwin Frey2, Thomas Franosch2, and Bianca A. Hermann1 — 1Walther-Meissner-Institute (WMI) of Low Temperature Research of the Bavarian Academy of Science and Center for Nano Science (CeNS), Germany Walther-Meissner-Strasse 8, 85748 Garching b. München — 2Arnold Sommerfeld Center for Theoretical Physics (ASC) and Center for Nano Science (CeNS), Department of Physics, LMU München, Theresienstraße 37, 80333 München, — 3Department of Chemistry, University of Basel, Spitalstrasse 51, 4056 Basel, Switzerland
The a priori prediction of patterns formed by molecular self-organization is of crucial importance for the deliberate application of monolayers in functionalizing surfaces. We used scanning tunneling microscopy (STM) to image self-organized monolayers of Fréchet dendrons, which display a large variety of 2D ordering motifs. The ordering of the different phases was simulated by molecular mechanics (MM) energy optimizations. We conceived a coarse-grained interaction-site model, which condenses the essential molecular properties determined by MM modeling. In a Monte Carlo (MC) approach based on this interaction site model placed on a lattice allowing discrete π/3 rotations the various ordering motifs were successfully predicted. With this model we could confirm that geometry as well as a few salient interaction sites encode the observed variety of structural motifs.