Oxygen configurations in silica

Citation
Jr. Chelikowsky et al., Oxygen configurations in silica, PHYS REV B, 62(4), 2000, pp. R2251-R2254
Citations number
24
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
01631829 → ACNP
Volume
62
Issue
4
Year of publication
2000
Pages
R2251 - R2254
Database
ISI
SICI code
0163-1829(20000715)62:4<R2251:OCIS>2.0.ZU;2-4
Abstract
We propose a transition state for oxygen in silica. This state is produced by the insertion of an oxygen molecule into the Si-O-Si bond, i.e., it cons ists of producing a Si-O-O-O-Si bond. This state allows molecular oxygen di ffusion in silica without breaking the molecular O-2 bond and it is energet ically more stable than a peroxy configuration. This configuration may allo w for exchange of molecular oxygen with the oxygen in the silica framework.