Number of the records: 1

Correlation between catalytic activity and metal cation coordination: NO decomposition over Cu/zeolites

SYSNO ASEP	0333516
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Correlation between catalytic activity and metal cation coordination: NO decomposition over Cu/zeolites
Author(s)	Pulido, Maria Angeles (UOCHB-X) Nachtigall, P. (CZ)
Number of authors	2
Source Title	ChemCatChem. - : Wiley - ISSN 1867-3880 Roč. 1, č. 4 (2009), s. 449-453
Number of pages	5 s.
Language	eng - English
Country	DE - Germany
Keywords	deNOx ; mechanism ; DFT
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000274154200005
DOI	10.1002/cctc.200900219
Annotation	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 Cu+ 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.
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434
Year of Publishing	2011

Number of the records: 1