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A Molecular orbital investigation of the mechanism of the NO-NH3 reaction on vanadium oxide catalyst

โœ Scribed by Akira Miyamoto; Makoto Inomata; Atsushi Hattori; Toshiaki Ui; Yuichi Murakami

Book ID
103691772
Publisher
Elsevier Science
Year
1982
Weight
1008 KB
Volume
16
Category
Article
ISSN
0304-5102

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Density functional investigation of the
Density functional investigation of the mechanism of the selective catalytic reduction of NO by NH3 over vanadium oxide model clusters
โœ F. Gilardoni; J. Weber; A. Baiker ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 227 KB

Quantum chemical calculations using the density functional theory were performed to model the mechanism of selective catalytic reduction of NO by NH on a supported 3 vanadium oxide monolayer. In the first step, the adsorption of NH on a bimetallic 3 cluster representative of vanadium oxide, containi