Author/Authors :
Sun، نويسنده , , Qiang and Shen، نويسنده , , Bairong and Fan، نويسنده , , Kangnian and Deng، نويسنده , , Jingfa، نويسنده ,
Abstract :
The adsorption and dissociation of methanol on an oxygen-modified silver surface have been studied by means of the ab initio method based on density functional theory and cluster models. The roles of surface and subsurface oxygen in adsorption and dissociation of methanol were investigated. A new pathway for formation of H2 is suggested.
