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Quantitative determination of the adsorption site of the OH radicals in the H2O/Si(100) system
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UNSPECIFIED (2002) Quantitative determination of the adsorption site of the OH radicals in the H2O/Si(100) system. PHYSICAL REVIEW B, 66 (19). -. doi:10.1103/PhysRevB.66.195322
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Official URL: http://dx.doi.org/10.1103/PhysRevB.66.195322
Abstract
Using scanned-energy mode photoelectron diffraction from the O 1s level, the local structure around the adsorbed OH species resulting from the interaction of H2O with a Si(100)(2x1) has been determined, by a combination of direct data inversion using a "projection" method and multiple-scattering simulations. The O atom is bonded to a surface Si atom with a Si-O bond length of 1.67+/-0.03 Angstrom, the Si-O bond being tilted away from the surface normal by 19+/-4degrees. This bonding Si atom is at one end of a surface dimer, which lies parallel to the surface to within +/-9degrees, but there appears to be a lateral offset of the dimer along the dimer direction away from the fully symmetric position by approximately 0.3 Angstrom, possibly reflecting a residual asymmetry associated with the adsorbate bonding. The main structural parameters are in excellent agreement with the results of a previously published density-functional theory slab calculation.
| Item Type: | Journal Article | ||||
|---|---|---|---|---|---|
| Subjects: | Q Science > QC Physics | ||||
| Journal or Publication Title: | PHYSICAL REVIEW B | ||||
| Publisher: | AMERICAN PHYSICAL SOC | ||||
| ISSN: | 1098-0121 | ||||
| Official Date: | 15 November 2002 | ||||
| Dates: |
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| Volume: | 66 | ||||
| Number: | 19 | ||||
| Number of Pages: | 8 | ||||
| Page Range: | - | ||||
| DOI: | 10.1103/PhysRevB.66.195322 | ||||
| Publication Status: | Published |
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