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 bulklike structure. Evidence is presented that suggests the Si3 O4 cluster (D2d) may provide a structural model for oxygen-deficient defect sites in bulk SiO2 materials.
ASJC Scopus subject areas
- Physics and Astronomy(all)