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Type: Artigo de periódico
Title: Electronic Structure Of Polycarbonitrile: The Role Of Polaron-type Defects
Author: Del Nero J.
Laks B.
Abstract: In this work we report the electronic structure of polycarbonitrile, a conjugate polymer generated from polyacetylene by replacing every second CH unit by a single N atom, in the presence of defects like polarons. The negative factor counting method was used in a tight-binding parameterization and geometrical data were from Austin model 1 (AM1) calculations. A comparative study of the ordered and disordered distribution of defects is presented. © 1997 Elsevier Science B.V.
Rights: fechado
Identifier DOI: 
Date Issue: 1997
Appears in Collections:Unicamp - Artigos e Outros Documentos

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