STRUCTURAL-PROPERTIES OF TITANIUM SITES IN TI-ZSM5

被引：80

作者：

JENTYS, A

CATLOW, CRA

机构：

[1] Davy-Faraday Laboratory, The Royal Institution of Great Britain, London, W1X 4BS

来源：

CATALYSIS LETTERS | 1993年 / 22卷 / 03期

关键词：

TI-ZSM5; COMPUTER SIMULATIONS;

D O I：

10.1007/BF00810371

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The geometry of Ti sites in ZSM5 has been studied using defect energy minimisation techniques and quantum mechanical cluster calculations. We found an energetic preference for the substitution of Si by Ti at lattice T sites. The results also indicated that titanium oxide species would form in the channels at higher Ti concentrations.

引用

页码：251 / 257

页数：7

共 27 条

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