Electronic structure of conjugated regular copolymers: Fine tuning of band gap value

F. Meyers*, A. J. Heeger, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

The recent discovery that conjugated polymers can effectively function as active materials in light-emitting diodes has increased the interest in the fine tuning of their optical gaps. Copolymers are very promising in this context as they can boost the efficiency of the recombination processes. We present here the results of quantum chemical calculations aimed at determining the evolution of the electronic properties as a function of the unit cell content in regular block copolymers of poly (p-phenylene) and polyacetylene. In this case, the bandgap can be tuned over the whole visible range, depending on the extent of the block copolymer sequences.

Original languageEnglish (US)
Pages (from-to)4308-4313
Number of pages6
JournalSynthetic Metals
Volume57
Issue number2-3
DOIs
StatePublished - Apr 19 1993

Keywords

  • LED, polyacetylene
  • copolymers
  • poly (p-phenylene)
  • quantum-chemical calculations

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Polymers and Plastics

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