Molecular Orbital Study on Adsorption Process of Silica Cluster on Polyimide Surface

Abstract:

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Process of a silica cluster on a polyimide surface was simulated by atomistic calculations combining the semi-empirical molecular orbital method and algorithms that can find the optimal path of a chemical bonding process. Specifically, we estimated the activation and sorption energies in the process. From the simulations, we found that chemical bonding occurs between a silica cluster and the polyimide substrate surface. In the adsorption processes, those reactions between the silica cluster and the polyimide surface which involve Si-O bonding between the cluster and the polyimide are the most probable.

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Periodical:

Edited by:

Masaaki Naka and Toshimi Yamane

Pages:

63-68

DOI:

10.4028/www.scientific.net/MSF.502.63

Citation:

A. Fujinami et al., "Molecular Orbital Study on Adsorption Process of Silica Cluster on Polyimide Surface ", Materials Science Forum, Vol. 502, pp. 63-68, 2005

Online since:

December 2005

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$38.00

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