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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...
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Source :
分子催化
Year: 2008
Issue: 01
Page: 75-79
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