N2O decomposition catalysed by transition metal ions

A.L. Yakovlev, G.M. Zhidomirov, R.A. Santen, van

Research output: Contribution to journalArticleAcademicpeer-review

72 Citations (Scopus)
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Abstract

The direct N2O decomposition catalysed by 5-coordinated transition metal ions Fe, Co, and Rh was studied using the DFT method. The cluster model has the formula M(OH)(3) (H2O)(2). Energies of intermediates and transition states were computed. The results show that Co and Rh sites are more active than Fe, the former two being very similar
Original languageEnglish
Pages (from-to)45-48
JournalCatalysis Letters
Volume75
Issue number1-2
DOIs
Publication statusPublished - 2001

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