Periodic Density Functional Theory Study of Methane Activation over La2O3: Activity of O2-, O-, O22-, Oxygen Point Defect, and Sr2+-Doped Surface Sites
โ Scribed by Palmer, Michael S.; Neurock, Matthew; Olken, Michael M.
- Book ID
- 111873373
- Publisher
- American Chemical Society
- Year
- 2002
- Tongue
- English
- Weight
- 336 KB
- Volume
- 124
- Category
- Article
- ISSN
- 0002-7863
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๐ SIMILAR VOLUMES
Simple functional models for elementary steps in the total oxidation of methane over supported palladium catalysts were investigated using density functional theory. Three simple cluster models were proposed, namely, the palladium dimer and PdO diatomic and linear Pd O, to probe the mechanism of the
Pulse reaction method and in situ IR spectroscopy were used to characterize the active oxygen species for oxidative coupling of methane (OCM) over SrF 2 /Nd 2 O 3 catalyst. It was found that OCM activity of the catalyst was very low in the absence of gas phase oxygen, which indicated that lattice ox