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A refined model for the active site within the NO decomposition catalyst, Cu-ZSM-5

Sayle, D.C., Richard, C., Catlow, A., Perrin, M.-A., Nortier, P. (1998) A refined model for the active site within the NO decomposition catalyst, Cu-ZSM-5. Microporous and Mesoporous Materials, 20 (4-6). pp. 259-267. ISSN 13871811 (ISSN). (doi:10.1016/s1387-1811(97)00009-7) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:46830)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided.
Official URL:
http://www.scopus.com/inward/record.url?eid=2-s2.0...

Abstract

Static atomistic simulation techniques have been employed to identify a model for the active site configuration and its location within the NO decomposition catalyst, Cu-ZSM-5. We propose that the active site comprises a copper pair, bridged by OH and forming a six membered ring, specifically, {-O-Cu(II)-OH-Cu(I)-O-Al-}, within the zeolite framework. The six-membered ring arises from the strong association of both of the copper species with a single aluminium in the zeolite framework and consequently the ring is strained, reflected in the low (3.1 �) intercopper distance in the cluster. Indeed, this Cu-Cu distance compares well with the experimentally determined value of 3.0. In addition, it is expected that the strain in the cluster influences the activity of the cluster, which we suggest may be responsible for its unique activity for NO decomposition. © 1998 Elsevier Science B.V.

Item Type: Article
DOI/Identification number: 10.1016/s1387-1811(97)00009-7
Additional information: Unmapped bibliographic data: LA - English [Field not mapped to EPrints] J2 - Microporous Mesoporous Mater. [Field not mapped to EPrints] AD - Davy-Faraday Laboratory, Royal Institution of Great Britain, 21 Albemarle Street, London, W1X 4BS, United Kingdom [Field not mapped to EPrints] AD - Ctr. de Rech. de Rhône-Poulenc, 52 Rue de la Haie Coq, 93308, Aubervilliers, Cedex, France [Field not mapped to EPrints] AD - Dept. of Environ. and Ordnance Syst., Cranfield University, Royal Military College of Science, Shrivenham, Swindon, SN6 8LA, United Kingdom [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints]
Uncontrolled keywords: Alumino-silicate, Cu-Cu clusters; mfi; solution enthalpy, Association reactions, Catalyst activity, Computer simulation, Copper compounds, Decomposition, Enthalpy, Molecular structure, Nitrogen oxides, Solution enthalpy, Zeolite Cu ZSM 5, Zeolites
Subjects: Q Science
Divisions: Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User: Dean Sayle
Date Deposited: 06 Mar 2015 16:38 UTC
Last Modified: 09 Mar 2023 11:33 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/46830 (The current URI for this page, for reference purposes)

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