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Comparative studies of methanol and methathiol decomposition reactivity on metal surfaces

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甲硫醇_甲醇在金属表面上的分解反应性能比较研究.pdf (134.9Kb)
Date
1998
Author
Xia, WS
Wang, HY
Wan, HL
万惠霖
Zhang, QE
张乾二
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  • 化学化工-已发表论文 [14469]
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Abstract
The reactivities of methanol and methathiol on Ni(111), Pt(111) and Cu(111) have been investigated using bond order conservation-Morse potential (BOC-MP) method. The results show that, from Ni to Pt to Cu, the relative cleavage probabilities of C-S bond in methathiol decrease, and those of S-H bond increase, and thus on Cu surface only the S-H bond break occurs. Methanol on Ni surface is dissociated easily into CH3- and CH3O-, but the dissociation on Pt and Cu surface is not easy. From Ni to Pt to Cu, the cleavage selectivity of C-S bond in CH3S- and C-H bond in CH3O- increases. The dissociation barriers of CH3XH and CH3X-(X=0, S) increase in the order Ni<Pt<Cu. The final product of CH3OH dissociation is CO on Ni surface, and H2CO on Cu surface.
Citation
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,1998,19(3):438-441
URI
https://dspace.xmu.edu.cn/handle/2288/13386

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