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

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

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations


We discuss in this contribution the ability of quantum-chemical calculations in describing essential aspects of one of the most promising applications of semiconducting conjugated polymers, i.e. their use as active layers in light-emitting diodes. We present an overview of the results of recent theoretical studies that we have performed on oligomers representative of polyparaphenylene vinylene and polythiophehe. 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)735-747
Number of pages13
JournalPhilosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
Issue number1725
StatePublished - Apr 15 1997
Externally publishedYes

ASJC Scopus subject areas

  • General Mathematics
  • General Engineering
  • General Physics and Astronomy


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