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Simulation of the infrared spectra of amorphous silicon alloys

Clare, B.W., Jennings, P.J., Cornish, J.C.L., Hefter, G. and Santjojo, D.J. (1996) Simulation of the infrared spectra of amorphous silicon alloys. Journal of Computational Chemistry, 17 (3). pp. 306-312.

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The infrared absorption spectra of hydrogenated amorphous silicon alloys have been simulated using MOPAC. The calculated spectra compare well with those obtained experimentally. Simulation studies have also been carried out on the effect of contamination of hydrogenated amorphous silicon by common atmospheric contaminants: oxygen and nitrogen. These studies provide a basis for the study of diffusion and reconstruction of amorphous silicon alloys during annealing and photodegradation. This article indicates that infrared spectroscopy, combined with molecular modeling, could be used to study the molecular mechanisms associated with the photodegradation of amorphous silicon alloys.

Item Type: Journal Article
Murdoch Affiliation(s): School of Mathematical and Physical Sciences
Publisher: Wiley-Blackwell
Copyright: © 1996 by John Wiley & Sons, Inc.
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