Adsorption of methanol , formaldehyde and formic acid on the Si ( 100 )-2 Â 1 surface : A computational study


The adsorption of methanol, formaldehyde and formic acid on the Si(100)-2]1 surface have been investigated by means of Ðrst-principles density functional cluster model calculations and ab initio ONIOM calculations. The dissociative adsorption of methanol on the Si(100) surface takes place readily, giving rise to and 3 SiÈH surface species. The reaction… (More)

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