Reactivity Theory of Zinc Cation Species in Zeolites Full article
| Conference |
Catalysis by Unique Metal lon Structures in Solid Matrices : NATO Advanced Research Workshop 04-07 Jul 2000 , Prague-Pruhonice |
||||
|---|---|---|---|---|---|
| Source | NATO Science Series II: Mathematics, Physics and Chemistry: Catalysis by Unique Metal Ion Structures in Solid Matrices: From Science to Application Compilation, Kluwer Academic Publishers. Dordrecht.2001. 332 c. ISBN 9780792368755. |
||||
| Output data | Year: 2001, Volume: 13, Pages: 187-204 Pages count : 18 DOI: 10.1007/978-94-010-0782-5_12 | ||||
| Tags | DFT calculations, chabasite, ZSM-5, Zn, cationic positions, zinc oxide clusters, stability, methane adsorption, ethane dehydrogenation. | ||||
| Authors |
|
||||
| Affiliations |
|
Funding (1)
| 1 | Netherlands Organisation for Scientific Research | 047-005-011 |
Abstract:
Various forms of zinc cation stabilisation in zeolite cavities were considered. Their interaction with light alkanes (methane, ethane) was studied using ab initio methods. We studied the relation between stability of a site and its catalytic activity. In addition to cationic positions formed by a zeolitic ring with two Al ions, the sites with distantly placed aluminiums were also studied. It was shown that the latter tend to form oxygen bridged zinc cationic pairs. Such sites, as well as small zinc oxide clusters, exhibit a different enhanced reactivity towards alkanes compared to single zinc ions in cationic positions.
Cite:
van Santen R.A.
, Zhidomirov G.M.
, Shubin A.A.
, Yakovlev A.L.
, Barbosa L.A.M.M.
Reactivity Theory of Zinc Cation Species in Zeolites
In compilation NATO Science Series II: Mathematics, Physics and Chemistry: Catalysis by Unique Metal Ion Structures in Solid Matrices: From Science to Application. – Kluwer Academic Publishers., 2001. – Т.13. – C.187-204. – ISBN 9780792368755. DOI: 10.1007/978-94-010-0782-5_12 РИНЦ OpenAlex
Reactivity Theory of Zinc Cation Species in Zeolites
In compilation NATO Science Series II: Mathematics, Physics and Chemistry: Catalysis by Unique Metal Ion Structures in Solid Matrices: From Science to Application. – Kluwer Academic Publishers., 2001. – Т.13. – C.187-204. – ISBN 9780792368755. DOI: 10.1007/978-94-010-0782-5_12 РИНЦ OpenAlex
Identifiers:
| Elibrary: | 46465174 |
| OpenAlex: | W1490025101 |