Electronic Structures of Oligomers of Pyrrole

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Abstract:

The electronic structures of oligomers of pyrrole have been calculated using the extended Hückel tight-binding program. The energy diagrams are shown for oligomers as the number of the repeating unit in the oligomers increases from 1 to 16. The relationship between the energy gap of the oligomers and the number of the repeating unit in the oligomers is established. Blue-green photoluminescence and electroluminescence from one-dimensional polypyrrole are predicted.

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Materials Science Forum (Volumes 663-665)

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658-661

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November 2010

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© 2011 Trans Tech Publications Ltd. All Rights Reserved

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