Correlation Between Catalytic Activity and Metal Cation Coordination: NO Decomposition Over Cu/Zeolites

被引：20

作者：

Pulido, Angeles ^{[2
]}

Nachtigall, Petr ^{[1
]}

机构：

[1] Charles Univ Prague, Fac Sci, Dept Phys & Macromol Chem, Prague 12840 2, Czech Republic

[2] Acad Sci Czech Republ, Inst Organ Chem & Biochem, VVI, CR-16610 Prague 6, Czech Republic

来源：

CHEMCATCHEM | 2009年 / 1卷 / 04期

关键词：

heterogeneous catalysis; cation; copper; density; functional calculations; zeolites; DENSITY-FUNCTIONAL THEORY; HIGH-SILICA ZEOLITES; NITRIC-OXIDE; N2O DECOMPOSITION; EXCHANGED ZEOLITE; CU+ SITES; ION; CU-ZSM-5; ZSM-5; DISSOCIATION;

D O I：

10.1002/cctc.200900219

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：

Just say NO: The catalytic activity of Cu/zeolites for NO removal depends on the metal cation coordination to the framework. The most active catalysts are those with Cu1 loosely coordinated to the framework. The catalytic cycle is investigated using a periodic DFT model to account for the effect of the zeolite on the stability of reaction intermediates. © 2009 Wiley-VCH Verlag GmbH& Co. KGaA, Weinheim.

引用

页码：449 / 453

页数：5

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