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• W2008122783 startingPage "2639" @default.
• W2008122783 abstract "Chlorine adsorption on Ag(1 1 1) as a function of coverage has been studied by means of periodic density functional theory. Incorporation of Cl into the substrate leading to a surface AgCl film has also been considered. It is concluded that at low coverage (θCl < 0.2 ML) on-surface adsorption is favoured over Cl penetration while at higher coverage on-surface and subsurface adsorption become both thermodynamically and kinetically favoured. Implications for the Cl promoted silver catalyzed ethylene partial oxidation are discussed." @default.
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• W2008122783 date "2008-08-01" @default.
• W2008122783 modified "2023-10-16" @default.
• W2008122783 title "The chemistry of chlorine on Ag(1 1 1) over the sub-monolayer range: A density functional theory investigation" @default.
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• W2008122783 doi "https://doi.org/10.1016/j.susc.2008.06.014" @default.
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