The electronic structure of the bulk and the surface of rutile titanium dioxide (TiO2) are analyzed from band calculation based on quantum mechanics formalism. The surface density of states and charge distributions of bulk and (001) surface are compared to better understand the mechanism of adsorption and photodegradation processes.

electronic properties, photodegradation, surface density, thermal spray coating, titanium dioxide
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Copyright © 2003 ASM International. All rights reserved.
2003
ASM International
Topics
Thermal spray coatings Oxide-based ceramics
Issue Section:
Testing and Characterization
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