We present a first-principles calculation of the energetics of different possible dissociative chemisorption reactions leading to the attachment of organic acids with a functional carboxylic group to a hydrogenated silicon surface. Our study allows us to understand the role of oxygen atoms in the stable anchoring of the organic layer to the surface.
Saturated carboxylic acids on silicon: a first-principles study / C. S., Cucinotta; Ruini, Alice; M. J., Caldas; Molinari, Elisa. - ELETTRONICO. - 772:(2005), pp. 1067-1068. (Intervento presentato al convegno PHYSICS OF SEMICONDUCTORS: 27th International Conference on the Physics of Semiconductors, ICPS-27 tenutosi a Flagstaff, AZ, usa nel 26-30 Luglio 2004) [10.1063/1.1994480].
Saturated carboxylic acids on silicon: a first-principles study
RUINI, Alice;MOLINARI, Elisa
2005
Abstract
We present a first-principles calculation of the energetics of different possible dissociative chemisorption reactions leading to the attachment of organic acids with a functional carboxylic group to a hydrogenated silicon surface. Our study allows us to understand the role of oxygen atoms in the stable anchoring of the organic layer to the surface.
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