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Adsorption of Supramolecular Building Blocks on Graphite: A Force Field and Density Functional Theory Study |
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| Authors: | Daniela Künzel Katrin Tonigold Dr Jan Kučera Michael Roos Prof Dr Harry E Hoster Prof Dr R Jürgen Behm Prof Dr Axel Groß |
| Institution: | 1. Institute of Theoretical Chemistry, Ulm University, D‐89069 Ulm (Germany);2. Institute of Surface Chemistry and Catalysis, Ulm University, D‐89069 Ulm (Germany);3. New address: TUM CREATE Centre for Electromobility, Singapore 637459 (Singapore) |
| Abstract: | |
| Keywords: | adsorption density functional calculations graphene molecular modeling supramolecular chemistry |