N2O decomposition catalysed by transition metal ions

Authors
Yakovlev, AL Zhidomirov, GM van Santen, RA
Citation
Al. Yakovlev et al., N2O decomposition catalysed by transition metal ions, CATAL LETT, 75(1-2), 2001, pp. 45-48
Citations number
8
Categorie Soggetti
Physical Chemistry/Chemical Physics","Chemical Engineering
Journal title
CATALYSIS LETTERS
ISSN journal
1011372X → ACNP
Volume
75
Issue
1-2
Year of publication
2001
Pages
45 - 48
Database
ISI
SICI code
1011-372X(2001)75:1-2<45:NDCBTM>2.0.ZU;2-8
Abstract
The direct N2O decomposition catalysed by 5-coordinated transition metal io ns Fe, Co, and Rh was studied using the DFT method. The cluster model has t he formula M(OH)(3) (H2O)(2). Energies of intermediates and transition stat es were computed. The results show that Co and Rh sites are more active tha n Fe, the former two being very similar.