Si3Oy (y = 1-6) clusters: Models for oxidation of silicon surfaces and defect sites in bulk oxide materials
Conference
·
OSTI ID:560471
- Washington State Univ., Richland, WA (United States)
- Pacific Northwest National Lab., Richland, WA (United States); and others
We studied the structure and bonding of a series of silicon oxide clusters, Si3Oy (y = 1-6), using anion photoelectron spectroscopy and ab initio calculations. For y = 1-3 the clusters represent the sequential oxidation of Si3, and provide structural models for the oxidation of silicon surfaces. For y = 4-6, the clusters contain a central Si in a tetrahedral bonding environment, suggesting the onset of the bulk-like structure. Evidence is presented that suggests that the Si3O4 cluster (D2d) may provide a structural model for oxygen-deficient defect sites in bulk SiO2 materials.
- DOE Contract Number:
- AC06-76RL01830
- OSTI ID:
- 560471
- Report Number(s):
- CONF-970443--
- Country of Publication:
- United States
- Language:
- English
Similar Records
Si{sub 3}O{sub y} (y=1{endash}6) Clusters: Models for Oxidation of Silicon Surfaces and Defect Sites in Bulk Oxide Materials
Observation and photoelectron spectroscopic study of novel mono- and diiron oxide molecules FeO{sub y}{sub -} (y = 1-4) and Fe{sub 2}O{sub y}{sub -} (y = 1-5)
Sequential oxygen atom chemisorption on surfaces of small iron Clusters
Journal Article
·
Sun Jun 01 00:00:00 EDT 1997
· Physical Review Letters
·
OSTI ID:548841
Observation and photoelectron spectroscopic study of novel mono- and diiron oxide molecules FeO{sub y}{sub -} (y = 1-4) and Fe{sub 2}O{sub y}{sub -} (y = 1-5)
Journal Article
·
Wed Jun 05 00:00:00 EDT 1996
· Journal of the American Chemical Society
·
OSTI ID:263140
Sequential oxygen atom chemisorption on surfaces of small iron Clusters
Journal Article
·
Sat Jun 01 00:00:00 EDT 1996
· Physical Review Letters
·
OSTI ID:286014