Optical signature of delocalized polarons in conjugated polymers

David Beljonne, Jérôme Cornil, Henning Sirringhaus, Peter J. Brown, Maxim Shkunov, Richard H. Friend, Jean Luc Brédas

Research output: Contribution to journalArticlepeer-review

161 Scopus citations


Quantum-chemical calculations, incorporating both electron-phonon and electron-electron, are performed on two-chain model aggregates to assess the influence of interchain interactions on the nature of the singly charged species (polarons) in organic conjugated polymers. In symmetric cofacial dimers with fixed intermolecular distances, our theoretical approach leads to polarons fully delocalized over the two conjugated chains. Such a delocaliszation strongly affects the geometric and electronic relaxation phenomena induced by charge injection, which in turn leads to a dramatic spectral redistribution of the linear absorption cross section. Optical signatures for delocalized polarons in conjugated materials are identified from our theoretical description and compared to experimental data from optical charge modulation spectroscopy, these are fingerprints for the degree of interchain order, a decisive factor in the achievement of high charge carrier mobilities in polymer-based field-effect transistors.

Original languageEnglish (US)
Pages (from-to)229-234
Number of pages6
JournalAdvanced Functional Materials
Issue number3
StatePublished - Jun 2001
Externally publishedYes

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics

Cite this