Abstract:The adsorption of maleic anhydride on the Si(001) surface was investigated using the first-principles pseudopotential formalism. Our results indicate that C 2 H 2 -C 2 O 3 adsorbs through a [2+2] cycloaddition of the C-C bond to the dangling bonds of Si-Si dimers, as observed for other small hydrocarbons. According to our calculations, the adsorption of a second maleic anhydride molecule will preferentially occur on first-neighbours Si-Si dimer sites in either the dimer chain our dimer row, i.e. considering a … Show more
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