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The Interaction of Oxygen with Reduced SnO 2 and Ti/SnO 2 (110) Surfaces: A Density Functional Theory Study

✍ Scribed by Yamaguchi, Yoichi; Nagasawa, Yosuke; Tabata, Kenji; Suzuki, Eiji

Book ID
126097941
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
192 KB
Volume
106
Category
Article
ISSN
1089-5639

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Density functional theory calculations f
Density functional theory calculations for the interaction of oxygen with reduced M/SnO2(1 1 0) (M=Pd, Pt) surfaces
✍ Yoichi Yamaguchi; Kenji Tabata; Eiji Suzuki πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 345 KB

Density functional theory calculations within the generalized gradient approximation have been performed for the interaction of oxygen with reduced M/SnO 2 (1 1 0) (M ΒΌ Pd, Pt) surfaces. There are larger dissociation barriers of sideon type chemisorbed O 2 molecules assigned as a superoxo (O Γ€ 2 )