A quantum chemical investigation of the interaction of organic molecules and polymers with graphite. Comparison with the STM imaging of organic adsorbates
| Autor: | Jürgen P. Rabe, T. C. Clarke, J.L. Brédas, M. H. Delvaux, A. Calderone, G. Lambin, Roberto Lazzaroni |
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| Rok vydání: | 1993 |
| Předmět: |
Quantum chemical
chemistry.chemical_classification Materials science Mechanical Engineering Metals and Alloys Nanotechnology Electronic structure Polymer Condensed Matter Physics Small molecule Electronic Optical and Magnetic Materials chemistry.chemical_compound Adsorption chemistry Mechanics of Materials Materials Chemistry Physical chemistry Molecule Graphite Benzene |
| Zdroj: | Synthetic Metals. 57:4365-4370 |
| ISSN: | 0379-6779 |
| Popis: | We investigate the adsorption of organic molecules and polymers onto the graphite surface with a quantum chemical approach. For this purpose, we study the geometry, the energetics and the electronic structure in a series of model systems, consisting of small molecules (CH 4 , H 2 O, H 2 S, CF 4 , benzene) interacting with one benzene molecule. Our results are interpreted in the framework of the STM imaging of organic molecules and polymers on graphite substrates. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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