The chemisorption of pentacene on Si(001)-2×1
| Autor: | Dan C. Sorescu, Takayuki Suzuki, J. T. Yates |
|---|---|
| Rok vydání: | 2006 |
| Předmět: |
Analytical chemistry
Surfaces and Interfaces Condensed Matter Physics Surfaces Coatings and Films law.invention Pentacene Crystallography chemistry.chemical_compound Adsorption Chemical bond chemistry Covalent bond Chemisorption law Materials Chemistry Molecule Density functional theory Scanning tunneling microscope |
| Zdroj: | Surface Science. 600:5092-5103 |
| ISSN: | 0039-6028 |
| Popis: | Adsorption structures of the pentacene (C 22 H 14 ) molecule on the clean Si(0 0 1)-2 × 1 surface were investigated by scanning tunneling microscopy (STM) in conjunction with density functional theory calculations and STM image simulations. The pentacene molecules were found to adsorb on four major sites and four minor sites. The adsorption structures of the pentacene molecules at the four major sites were determined by comparison between the experimental and the simulated STM images. Three out of the four theoretically identified adsorption structures are different from the previously proposed adsorption structures. They involve six to eight Si–C covalent chemical bonds. The adsorption energies of the major four structures are calculated to be in the range 67–128 kcal/mol. It was also found that the pentacene molecule hardly hopped on the surface when applying pulse bias voltages on the molecule, but was mostly decomposed. |
| Databáze: | OpenAIRE |
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