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.
引用
收藏
页码：45 / 48
页数：3
相关论文
共 50 条
  • [31] DFT study of the spin-forbidden reaction of N2O with CO catalysed by Y+ ions
    Tong, Yongchun
    Wang, Qingyun
    Xu, Xinjian
    Wang, Yongcheng
    PROGRESS IN REACTION KINETICS AND MECHANISM, 2017, 42 (01) : 1 - 7
  • [32] Role of nascent oxygen transients in N2O decomposition and selective catalytic reduction of N2O
    Nobukawa, T
    Yoshida, M
    Kameoka, S
    Ito, SI
    Tomishige, K
    Kunimori, K
    CATALYSIS TODAY, 2004, 93-5 : 791 - 796
  • [33] Formation of NO during thermal decomposition of N2O
    Zhiltsova, IV
    Zaslonko, IS
    KINETICS AND CATALYSIS, 1997, 38 (01) : 19 - 23
  • [34] THE ADSORPTION AND DECOMPOSITION OF N2O ON RU(001)
    MADEY, TE
    AVERY, NR
    ANTON, AB
    TOBY, BH
    WEINBERG, WH
    JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1983, 1 (02): : 1220 - 1221
  • [35] Monte Carlo Simulation of N2O Decomposition
    Guo Xiangyun
    Zhong Bing
    ACTA PHYSICO-CHIMICA SINICA, 1994, 10 (08) : 733 - 736
  • [36] KINETICS OF N2O DECOMPOSITION ON POLYCRYSTALLINE PLATINUM
    TAKOUDIS, CG
    SCHMIDT, LD
    JOURNAL OF CATALYSIS, 1983, 80 (02) : 274 - 279
  • [37] Formation of NO during Thermal Decomposition of N2O
    Semenov Inst. of Chemical Physics, Russian Academy of Sciences, Moscow, 117977, Russia
    Kinetics and Catalysis, 38 (01): : 19 - 23
  • [38] DECOMPOSITION OF N2O IN A GLOW-DISCHARGE
    AUSTIN, JM
    SMITH, ALS
    JOURNAL OF PHYSICS D-APPLIED PHYSICS, 1973, 6 (18) : 2236 - 2241
  • [39] Nonadiabatic reactions. The decomposition of N2O
    Stearn, AE
    Eyring, H
    JOURNAL OF CHEMICAL PHYSICS, 1935, 3 (12): : 778 - 785
  • [40] KINETICS OF THE DECOMPOSITION OF N2O AT HIGH TEMPERATURE
    GRAVEN, WM
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1959, 81 (23) : 6190 - 6192
12345