Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
63023 | Journal of Catalysis | 2008 | 5 Pages |
Abstract
Periodic DFT calculations show that stability of binuclear cationic gallium–oxo clusters in high-silica zeolites is mainly controlled by the favorable geometrical environment of the Ga3+ ions, whereas the effect of the direct interaction with the charge-compensating framework anionic sites is less important. Extraframework cyclic Ga2O2+2 cations are shown to be active for light alkane dehydrogenation.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Catalysis
Authors
Evgeny A. Pidko, Emiel J.M. Hensen, Georgy M. Zhidomirov, Rutger A. van Santen,