Title of article
Ab initio pseudopotential study of dehydrogenation of methanol on oxygen modified Ag(110) surface
Author/Authors
Sun، نويسنده , , Qiang and Wang، نويسنده , , Yun and Fan، نويسنده , , Kangnian and Deng، نويسنده , , Jingfa، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2000
Pages
10
From page
213
To page
222
Abstract
The adsorption and dehydrogenation of methanol on oxygen modified Ag(110) surface have been studied by ab initio pseudopotential total energy method based on density functional theory. The roles of surface and subsurface pre-adsorbed oxygen in dehydrogenation of methanol were investigated. A new pathway for dehydrogenation of methanol was suggested.
Keywords
Ab initio quantum chemical methods and calculations , Density functional calculations , silver
Journal title
Surface Science
Serial Year
2000
Journal title
Surface Science
Record number
1679112
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