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SYB: Symposium Polymere und kleine Moleküle an Grenzflächen

SYB 4: Polymere und kleine Moleküle an festen Grenzflächen

SYB 4.18: Poster

Dienstag, 10. März 1998, 18:00–20:00, P1

Superstructures of cyclodextrin derivatives on Au(111): A combined random planting - molecular dynamics approach — •J. Qian, R. Hentschke, and W. Knoll — Max-Planck-Institut für Polymerforschung, Postfach 3148, 55021 Mainz

The superstructures of two cyclodextrin derivatives chemisorbed on the gold (111) surface were modeled using a novel random planting algorithm combined with the standard molecular dynamics simulation technique. Surface density and thickness of the modeled cyclodextrin layers are found to be in good agreement with corresponding experimental results. In addition, a number of structural quantities characterizing the lateral order in the films as well as the influence of solvent are investigated.