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- W2012191598 abstract "Abstract The effects of two kinds of surface modifications (chemisorption and electrochemical modification) on the adsorption of methanol and atomic oxygen on Ag(1 1 0) surface have been investigated using B3-LYP method with cluster models. The promotion effect of halogen atoms was found to be mainly electrochemical. Both modifications, either by chemisorption of halogen atoms or by the presence of −q/+q point charges, increase the work function of the Ag(1 1 0) surface. Strong correlation between the adsorption energy of methanol, as well as atomic oxygen and the work function change induced by the two kinds of modifications has been found." @default.
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- W2012191598 date "2002-04-01" @default.
- W2012191598 modified "2023-09-26" @default.
- W2012191598 title "Work function change induced by surface modification and its effects upon methanol adsorption on Ag(110) surface: a density-functional theory approach" @default.
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- W2012191598 doi "https://doi.org/10.1016/s0009-2614(02)00252-x" @default.
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