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Functionalizingλ-AlOOH Surface with Silanol -- an Ab-initio Study

Published online by Cambridge University Press:  15 March 2011

Petri Lehtinen ,
Guido Grundmeier  and
Alexander Blumenau
Petri Lehtinen
Affiliation:
Interface Chemistry and Surface Engineering, Max Planck Institute für Eisenforschung Gmbh, Max-Planck-Straße 1, Düsseldorf, 40237, Germany
Guido Grundmeier
Affiliation:
Universität Paderborn, Paderborn, 33098, Germany
Alexander Blumenau
Affiliation:
Max Planck Institute für Eisenforschung Gmbh, Düsseldorf, 40237, Germany
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Abstract

On HDG-steel, zinc coatings are used for corrosion protection. Part of that coating is composed of aluminum and this leads to the creation of aluminum oxide film on the coating with thicknesses of 2-3 nanometers. This layer is an amorphous boehmite film.

Boehmite, or λ-AlOOH, has several application areas, but for us the interesting ones are related to an area where the surface is functionalized, for example in a way that the organic and inorganic films can be “glued” together. A good candidate for the interface is the silanol molecule. The idea is that the OH-groups of the molecule attach on the inorganic film and the methyl groups on the organic film and hence promote adhesion between the two.

We present theoretical ab-initio results of adsorption of water and silanol molecules on the λ AlOOH (0001)-surface. Since the experimental adsorption of the silanol on the boehmite surface is done in water environment, the adsorption process is therefore a competing process. We will present some result of adsorption of silanol in the presence of water molecules to get an insight into this process.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1000: Symposium L – Functional Interfaces in Oxides , 2007 , 1000-L06-01
Copyright
Copyright © Materials Research Society 2007

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