Design of small gap conjugated polymers

J. Kürti, P. R. Surján, M. Kertész, G. Frapper

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7 Citations (Scopus)

Abstract

Design of small energy gap conjugated polymers rests on the understanding of the geometric and electronic structure of prototypical systems followed by calculations and predictions of closely related derivatives and modifications. Calculations employed use periodic boundary condition and are based on geometry optimization, since the energy levels around the Fermi level are strongly coupled to the geometry. We consider prototypes, based on thiophene derivatives and silicon containing polymers.

Original languageEnglish
Pages (from-to)4338-4343
Number of pages6
JournalSynthetic Metals
Volume57
Issue number2-3
DOIs
Publication statusPublished - Apr 19 1993

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ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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