Dissociation of O2 on the reduced SnO2 (110) surface
โ Scribed by Slater, Ben; Catlow, C. Richard A.; Williams, David E.; Stoneham, A. Marshall
- Book ID
- 120164491
- Publisher
- Royal Society of Chemistry
- Year
- 2000
- Tongue
- English
- Weight
- 145 KB
- Volume
- 14
- Category
- Article
- ISSN
- 1359-7345
- DOI
- 10.1039/B002039G
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๐ SIMILAR VOLUMES
A reaction model for methane oxidation on a reduced SnO 110 crystal 2 surface has been proposed theoretically using a point-charge model. The geometric and electronic structures for all the molecules along the four reaction channels have been ลฝ . calculated by means of the MP2r6-311qqG 2d, p level o
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