Electroluminescence in semiconducting conjugated polymers and oligomers: A quantum-chemical perspective

J. L. Brédas*, D. Beljonne, J. Cornil, D. A. Dos Santos

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Scopus citations


We discuss in this contribution the ability of quantum-chemical calculations to describe the essential aspects of one of the most promising applications of semiconducting conjugated polymers and oligomers, i.e., their use as active layers in light-emitting diodes (LEDs). We present an overview of the results of recent theoretical studies that we have performed on oligomers representative of polyparaphenylenevinylene and polythiophene. We mostly deal with: (i) the modelling of the linear optical properties of the conjugated polymers involved in the emitting layer, taking into account the vibronic structure; (ii) the investigation of the relative locations of, and relaxation phenomena taking place in, the lowest singlet and triplet excited states; and (iii) a general discussion of the various terms contributing to the polaron-exciton binding energy.

Original languageEnglish (US)
Pages (from-to)341-355
Number of pages15
JournalInternational Journal of Polymeric Materials and Polymeric Biomaterials
Issue number3-4
StatePublished - 1999
Externally publishedYes


  • Conjugated polymers
  • Electroluminescence
  • Polyparaphenylenevinylene
  • Polythiophene
  • Quantum-chemical calculations
  • Semiconductors

ASJC Scopus subject areas

  • General Chemical Engineering
  • Analytical Chemistry
  • Polymers and Plastics


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