1. Empty-state scanning tunneling microscopy image of C 2 H 2 on Si(0 0 1)––new evidence for paired end-bridge di-σ configuration
- Author
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Hanchul Kim, Young-Kyu Hong, Wondong Kim, Sekyung Lee, Ja-Yong Koo, and Geunseop Lee
- Subjects
Dimer ,Ab initio ,Surfaces and Interfaces ,Condensed Matter Physics ,Molecular physics ,Surfaces, Coatings and Films ,law.invention ,Pseudopotential ,chemistry.chemical_compound ,Adsorption ,chemistry ,Ab initio quantum chemistry methods ,Chemisorption ,law ,Materials Chemistry ,Physical chemistry ,Scanning tunneling microscope ,Saturation (magnetic) - Abstract
New evidence of the paired end-bridge configuration in the room-temperature adsorption geometries of C 2 H 2 molecules on Si(0 0 1) is presented by scanning tunneling microscopy (STM) and ab initio pseudopotential calculations. The distinct four-leaved feature occupying two adjacent Si dimer sites in the experimental empty-state STM images are well reproduced by simulations of the paired end-bridge adsorption configuration. Calculated energetics suggests that the Si(0 0 1) surface is covered by paired end-bridge structures at the saturation coverage of 1 ML, in agreement with the existing experiments.
- Published
- 2003
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