N2O Decomposition Catalysed by Transition Metal Ions

被引：0
作者：
Alexei L. Yakovlev
Georgy M. Zhidomirov
Rutger A. van Santen
机构：
[1] Eindhoven University of Technology,
[2] Boreskov Institute of Catalysis,undefined
来源：
Catalysis Letters | 2001年 / 75卷
关键词：
N; O decomposition; DFT calculations; iron; cobalt; rhodium; transition states;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
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.
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页码：45 / 48
页数：3
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