Effect of NH3 adsorption on the structural and vibrational properties of TS-1

被引：47

作者：

Damin, A

Bonino, F

Ricchiardi, G

Bordiga, S

Zecchina, A

Lamberti, C

机构：

[1] Univ Turin, Dept Inorgan Phys & Mat Chem, I-10125 Turin, Italy

[2] UdR Torino Univ, INFM, Turin, Italy

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2002年 / 106卷 / 30期

关键词：

D O I：

10.1021/jp0257698

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 major structural and vibrational features of TS-1 catalyst have been investigated by means of computational methods based on cluster/embedded cluster approach (ONIOM scheme). This approach has been able to reproduce the perturbation induced on the main structural and vibrational features by NH3 adsorption.

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收藏

页码：7524 / 7526

页数：3

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