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Modeling Heat Dissipation at the Nanoscale: An Embedding Approach for Chemical Reaction Dynamics on Metal Surfaces |
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| Authors: | Dr. Jörg Meyer Prof. Dr. Karsten Reuter |
| Affiliation: | 1. Department Chemie, Technische Universit?t München, Lichtenbergstrasse 4, 85747 Garching bei München (Germany) http://www.th4.ch.tum.de;2. Present address: Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden (The Netherlands) |
| Abstract: | |
| Keywords: | ab initio molecular dynamics embedding energy dissipation hot adatoms oxygen adsorption |