Paper Title:
Molecular Orbital Study on Adsorption Process of Silica Cluster on Polyimide Surface
  Abstract

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.

  Info
Periodical
Edited by
Masaaki Naka and Toshimi Yamane
Pages
63-68
DOI
10.4028/www.scientific.net/MSF.502.63
Citation
A. Fujinami, S. Ogata, Y. Shibutani, K. Yamamoto, "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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