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Citation: Xie Xiangfang, Luo weiwei, Jiang Fenglin. A STUDY OF THE REACTION DYNAMICS OF THE ETHYLENE OXIDATION OVER Ag-Au ALLOY CATALYSTS I.THE LEPS POTENTIAL ENERGY SURFACES OF O ADSORBED ON THE SURFACE OF Ag-Au ALLOY[J]. Acta Physico-Chimica Sinica, ;1987, 3(01): 16-21. doi: 10.3866/PKU.WHXB19870104 shu

A STUDY OF THE REACTION DYNAMICS OF THE ETHYLENE OXIDATION OVER Ag-Au ALLOY CATALYSTS I.THE LEPS POTENTIAL ENERGY SURFACES OF O ADSORBED ON THE SURFACE OF Ag-Au ALLOY

1.
Department of Chemistry; Fudan University; Shanghai

Received Date: 23 September 1985
Available Online: 15 February 1987

A model LEPS potential and a pseudo crystal approximation have been used to describe the interaction of O_2 with Ag-Au(110)face. The potential energy surfaces of oxygen on alloys with ld contents of 0, 0.15, 0.30, 0.45, 0.60, 0.80 have been investigated. Both the heights of the potential energy barrier and the heats of dissociative adsorption of oxygen increase with ld contents. The potential energy surfaces with ld contents of 0, 0.15, 0.30 exhibit a local minimum correspon- ding to molecular adsorption.
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