Regensburg 2013 – scientific programme

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O: Fachverband Oberflächenphysik

O 18: Organic/bio Molecules on Metal Surfaces II

O 18.6: Talk

Monday, March 11, 2013, 17:15–17:30, H38

DFTD Calculations on STHM with Xe and CO — •Uwe Friedel and Axel Groß — Theoretical Chemistry, University of Ulm, Germany

The Scanning Tunneling Hydrogen Microscope (STHM) [1] can resolve intramolecular structures of adsorbed molecules and even produce intermolecular contrast along lines of expected hydrogen bondings. The method does not only work with hydrogen, which gave the method the name, but also with other molecules and nobel gas atoms. This talk will present results of dispersion corrected DFT calculations (DFT-D3) with a model tip decorated with a Xe-atom and a CO-molecule.

[1] C. Weiss et al., J. Am. Chem. Soc. 132, 11864 (2010)