Non-Localized Charge Compensation in Zeolites: A Periodic DFT Study of Cationic Gallium-Oxide Clusters in Mordenite Научная публикация
| Журнал |
Journal of Catalysis
ISSN: 0021-9517 , E-ISSN: 1090-2694 |
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| Вых. Данные | Год: 2008, Том: 255, Номер: 2, Страницы: 139-143 Страниц : 5 DOI: 10.1016/j.jcat.2008.02.027 | ||||
| Ключевые слова | Alkane dehydrogenation, Charge compensation, Extraframework cations, Gallium, Mordenite, Oxide clusters, Periodic DFT calculations, Zeolite | ||||
| Авторы |
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| Организации |
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Информация о финансировании (1)
| 1 | European Commission | 11730 FP6-NMP IDECAT |
Реферат:
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.
Библиографическая ссылка:
Pidko E.A.
, Hensen E.J.M.
, Zhidomirov G.M.
, van Santen R.A.
Non-Localized Charge Compensation in Zeolites: A Periodic DFT Study of Cationic Gallium-Oxide Clusters in Mordenite
Journal of Catalysis. 2008. V.255. N2. P.139-143. DOI: 10.1016/j.jcat.2008.02.027 WOS Scopus РИНЦ CAPlusCA OpenAlex
Non-Localized Charge Compensation in Zeolites: A Periodic DFT Study of Cationic Gallium-Oxide Clusters in Mordenite
Journal of Catalysis. 2008. V.255. N2. P.139-143. DOI: 10.1016/j.jcat.2008.02.027 WOS Scopus РИНЦ CAPlusCA OpenAlex
Даты:
| Поступила в редакцию: | 12 нояб. 2007 г. |
| Принята к публикации: | 25 февр. 2008 г. |
| Опубликована online: | 17 мар. 2008 г. |
| Опубликована в печати: | 25 апр. 2008 г. |
Идентификаторы БД:
| Web of science: | WOS:000255668200001 |
| Scopus: | 2-s2.0-41449096761 |
| РИНЦ: | 13578806 |
| Chemical Abstracts: | 2008:439342 |
| Chemical Abstracts (print): | 149:12965 |
| OpenAlex: | W2144686848 |