Surface reconstructions of oxygen deficient SnO2(110)
โ Scribed by DavidF. Cox; TeresaB. Fryberger; Steve Semancik
- Publisher
- Elsevier Science
- Year
- 1989
- Weight
- 44 KB
- Volume
- 224
- Category
- Article
- ISSN
- 0167-2584
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๐ SIMILAR VOLUMES
The electronic structure of the stoichiometric and reduced SnO 2 (110) surfaces is studied with ยฎrst-principles calculations. Calculations are carried out with two complementary self-consistent ab initioยฑDFTยฑGGA methods. Surface relaxation is considered, where the most prominent feature turns out to
The stability of oxygen anions and the hydrogen abstraction from ลฝ . methane on a reduced SnO 110 crystal surface have been studied theoretically using a 2 point-charge model. The geometric and electronic structures for the present molecules are calculated by means of a hybrid HartreeแFockrdensity f