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Effect of coverage and defects on the adsorption of propanethiol on Au(111) surface: a theoretical study
Andres, Juan; Tielens, Frederik; Luque, Noelia B.; Santos, Elizabeth American Chemical Society (2011-12)Periodic density functional calculations have been carried out to investigate both the thiol adsorption on Au(111) surface and the reaction mechanism for the formation of the self-assembled monolayers, taking propanethiol ...