Bipolarons in polypyrrole chains

J. L. Brédas, B. Thémans, J. M. André

Research output: Contribution to journalArticlepeer-review

149 Scopus citations


First-principles calculations on the geometric and electronic structures of undoped and doped polypyrrole chains indicate the appearance upon high doping of bipolaron states in the gap. A picture of the band-structure evolution upon doping is presented, showing the presence of bipolaron bands in the gap for experimentally achieved doping levels. A conductivity mechanism based on motion of spinless bipolarons is consistent with the absence of ESR signal in electro-chemically cycled highly conducting polypyrrole.

Original languageEnglish (US)
Pages (from-to)7827-7830
Number of pages4
JournalPhysical Review B
Issue number12
StatePublished - 1983
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics


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