Theory of interfacial charge-transfer complex photophysics in π -conjugated polymer-fullerene blends

K. Aryanpour, D. Psiachos, Sumitendra Mazumdar

Research output: Contribution to journalArticle

29 Citations (Scopus)

Abstract

We present a theory of the electronic structure and photophysics of 1:1 blends of derivatives of polyparaphenylenevinylene and fullerenes. Within the same Coulomb-correlated Hamiltonian applied previously to interacting chains of single-component π -conjugated polymers, we find an exciplex state that occurs below the polymer's optical exciton. Weak absorption from the ground state occurs to the exciplex. We explain transient photoinduced absorptions in the blend, observed for both above-gap and below-gap photoexcitations, within our theory. Photoinduced absorptions for above-gap photoexcitation are from the optical exciton as well as the exciplex while for below-gap photoexcitation induced absorptions are from the exciplex alone. In neither case are free polarons generated in the time scale of the experiment. Importantly, the photophysics of films of single-component π -conjugated polymers and blends can both be understood by extending Mulliken's theory of ground-state charge transfer to the case of excited-state charge transfer.

Original languageEnglish (US)
Article number085407
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume81
Issue number8
DOIs
StatePublished - Feb 3 2010

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Fullerenes
Photoexcitation
Conjugated polymers
fullerenes
Charge transfer
photoexcitation
charge transfer
Excitons
Ground state
polymers
Hamiltonians
Polarons
excitons
Excited states
Electronic structure
ground state
Polymers
polarons
Derivatives
electronic structure

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

Theory of interfacial charge-transfer complex photophysics in π -conjugated polymer-fullerene blends. / Aryanpour, K.; Psiachos, D.; Mazumdar, Sumitendra.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 81, No. 8, 085407, 03.02.2010.

Research output: Contribution to journalArticle

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