Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientific paper
2011-02-16
Phys. Rev. B 2010, 82, 165451
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
6 pages, 7 figures
Scientific paper
10.1103/PhysRevB.82.165451
Self-organized monolayers of highly flexible \Frechet dendrons were deposited on graphite surfaces by solution casting. Scanning tunneling microscopy (STM) reveals an unprecedented variety of patterns with up to seven stable hierarchical ordering motifs serving as a versatile model system. The essential molecular properties determined by molecular mechanics simulations are condensed to a coarse grained interaction site model of various chain configurations. In a Monte Carlo approach with random starting configurations the experimental pattern diversity can be reproduced in all facets of the local and global ordering. Based on an energy analysis of the Monte Carlo and molecular mechanics modeling the thermodynamically most stable pattern is predicted coinciding with the pattern, which dominates in the STM images after several hours or upon moderate heating.
Franosch Thomas
Frey Erwin
Gambra Marta Balbás
Hermann B. A.
Malarek M. S.
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