STRUCTURAL-PROPERTIES OF TITANIUM SITES IN TI-ZSM5

Authors
JENTYS A CATLOW CRA
Citation
A. Jentys et Cra. Catlow, STRUCTURAL-PROPERTIES OF TITANIUM SITES IN TI-ZSM5, Catalysis letters, 22(3), 1993, pp. 251-257
Citations number
27
Categorie Soggetti
Chemistry Physical
Journal title
Catalysis letters → ACNP
ISSN journal
1011372X
Volume
22
Issue
3
Year of publication
1993
Pages
251 - 257
Database
ISI
SICI code
1011-372X(1993)22:3<251:SOTSIT>2.0.ZU;2-J
Abstract
The geometry of Ti sites in ZSM5 has been studied using defect energy minimisation techniques and quantum mechanical cluster calculations. W e found an energetic preference for the substitution of Si by Ti at la ttice T sites. The results also indicated that titanium oxide species would form in the channels at higher Ti concentrations.