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[期刊论文]

甲醇在SnO_2(110)表面的吸附与解离的理论研究

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author:

陈文凯 (陈文凯.) [1] | 刘书红 (刘书红.) [2] | 陆春海 (陆春海.) [3]

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PKU CSCD

Abstract:

Density functional theory and slab model are used to investigate methanol adsorption and decomposition on SnO2(110) surface.The obtained result shows the most favorite adsorption site for methanol is the fivefold-coordinated tin atoms.The hydrogen atom was broken from hydroxyl group and bounded to t...

Keyword:

二氧化锡 吸附 密度泛函理论 甲醇 过渡态

Community:

  • [ 1 ] 福州大学化学系
  • [ 2 ] 中国工程物理研究院 福建福州350108
  • [ 3 ] 福建福州350108
  • [ 4 ] 四川绵阳621900

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Source :

分子催化

Year: 2008

Issue: 01

Page: 75-79

Cited Count:

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30 Days PV: 0

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