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Updated: Jul 16, 2026

The Effect of Interfacial Chemical Bonding in TiO2-SiO2 Composites on Their Photocatalytic NOx Abatement Performance
Published on: July 4, 2017
Bonding at the SiC-SiO2 interface and the effects of nitrogen and hydrogen
Sanwu Wang1, S Dhar, Shu-Rui Wang
1Department of Physics and Engineering Physics, University of Tulsa, Tulsa, Oklahoma 74104, USA.
Abstract:
Unlike the Si-SiO2 interface, the SiC-SiO2 interface has large defect densities. Though nitridation has been shown to reduce the defect density, the effect of H remains an open issue. Here we combine experimental data and the results of first-principles calculations to demonstrate that a Si-C-O bonded interlayer with correlated threefold-coordinated C atoms accounts for the observed defect states, for passivation by N and atomic H, and for the nature of residual defects.
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