AnMO Study on Methane Activation over Tetrahedral [WO4]
doi: 10.11804/NuclPhysRev.19.02.209
- Received Date: 1900-01-01
- Rev Recd Date: 1900-01-01
- Publish Date: 2002-06-20
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Key words:
- density functional method /
- active sites /
- methane activation
Abstract: By using ab initio DFT method, the metal species formed over the silica surface on Na-W-Mn/SiO 2are optimized, the electronic structure of the catalyst and the activation process of methane is studied. The silica support in the catalyst exists as α-cristobalite and its (111) face exposes preferentially to the surface. Over the surface of α-cristobalite, tungsten existed as monografted tetrahedral \ at the optimal loading amount, and manganese exists in monografted sites or oxide clusters...
Citation: | CHEN Hong-shan, LI Shu-ben, NIU Jian-zhong. AnMO Study on Methane Activation over Tetrahedral [WO4][J]. Nuclear Physics Review, 2002, 19(2): 209-212. doi: 10.11804/NuclPhysRev.19.02.209 |