Title of article
The adsorption of methylcyclopentane on Pt(1 1 1)
Author/Authors
Brizuela، نويسنده , , G. and Simonetti، نويسنده , , S. and Pronsato، نويسنده , , E. and Juan، نويسنده , , A.، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2004
Pages
11
From page
11
To page
21
Abstract
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.
Keywords
alkanes , Chemisorption , Platinum , Semi-empirical models and model calculations
Journal title
Surface Science
Serial Year
2004
Journal title
Surface Science
Record number
1696712
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