The adsorption of methylcyclopentane on Pt(111)
| Autor: | Alfredo Juan, Estela Pronsato, Sandra Isabel Simonetti, Graciela Petra Brizuela |
|---|---|
| Rok vydání: | 2004 |
| Předmět: |
Hydrogen
Coordination number chemistry.chemical_element Surfaces and Interfaces Condensed Matter Physics Surfaces Coatings and Films chemistry.chemical_compound Adsorption chemistry Atomic orbital Transition metal Chemisorption Computational chemistry Materials Chemistry Physical chemistry Molecular orbital Methylcyclopentane |
| Zdroj: | Surface Science. 556:11-21 |
| ISSN: | 0039-6028 |
| DOI: | 10.1016/j.susc.2004.02.037 |
| Popis: | The adsorption of methylcyclopentane (MCP) on Pt(1 1 1) has been studied using the atom superposition and electron delocalization (ASED-MO) molecular orbital method. Results show a weak interaction with the metallic surface. The adsorption energy is rather independent of the adsorption site coordination number. We find that Pt 6s, 6pz and 5dz2 orbitals are involved in the bonding with MCP. There is no bonding between the carbon ring and the Pt surface and the interaction comes from the hydrogen atoms to the surface. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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