Title of article
Electronic structure of heterocyclic ring chain polymers
Author/Authors
Brocks، نويسنده , , Geert and Tol، نويسنده , , Arie، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 1999
Pages
2
From page
516
To page
517
Abstract
The band gaps, ionization potentials and electron affinities of conjugated chain polymers comprising heterocyclic aromatic rings are studied systematically as a function of atomic substitutions with N, O and S using first principles density functional calculations.
Keywords
Density functional calculations , local density approximations , Polythiophene and derivatives , Polypyrrole and derivatives
Journal title
Synthetic Metals
Serial Year
1999
Journal title
Synthetic Metals
Record number
2072255
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