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|Type:||Artigo de periódico|
|Title:||Electronic Structure Of Polycarbonitrile: The Role Of Polaron-type Defects|
|Author:||Del Nero J.|
|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.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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