The instantaneous image effect: A novel contribution to the mechanism of heterogeneous catalysis
| Autor: | Jean-Paul Malrieu, Lionel Salem |
|---|---|
| Rok vydání: | 1991 |
| Předmět: |
Chemistry
Ionic bonding Langmuir adsorption model General Chemistry Interaction energy Heterogeneous catalysis Catalysis Condensed Matter::Materials Science Delocalized electron Dipole symbols.namesake Computational chemistry Chemisorption Chemical physics Polarizability symbols Condensed Matter::Strongly Correlated Electrons Physics::Chemical Physics |
| Zdroj: | Catalysis Letters. 9:287-296 |
| ISSN: | 1572-879X 1011-372X |
| DOI: | 10.1007/bf00773186 |
| Popis: | A novel contribution to the mechanism of heterogeneous catalysis is discussed for a model H2-on-nickel (100) system. The effect, which corresponds in a first approximation to the dispersion energy between adsorbate molecule and metal, is calculated through (1) admixture of an ionic component in the wave function of the adsorbate; (2) interaction between this ionic component and the image dipole which it creates in the polarizable metal. A single VB model, using an Anderson-type evaluation of the delocalization energy between adsorbate and metal, shows the image contribution to be 10 to 15% of the total adsorbate ↔ metal interaction energy. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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