A theoretical study on photoexcitations in poly(p-phenylene vinylene)

Kun Gao*, Shijie Xie, Sun Yin, Yuan Li, Desheng Liu, Xian Zhao

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

20 Scopus citations


By applying a femtosecond electric pump pulse to a poly(p-phenylene vinylene) (PPV) molecule, we theoretically investigate the photoexciting process. The simulations are performed within the framework of an extended version of one-dimensional Su-Schrieffer-Heeger tight-binding model combined with a nonadiabatic evolution method. We obtain excitons, biexcitons, as well as high-energy excitons. Their yields are calculated and it is found that they are determined by the photoexciting energy. Especially, we obtain a relation between their photogenerations and the photoexciting energies, which is helpful for optoelectronic applications of organic semiconductors. In addition, effect of the photoexciting intensity on the photogeneration of high-energy excitons, which contribute to free charges generation, is discussed.

Original languageEnglish (US)
Pages (from-to)1601-1605
Number of pages5
JournalOrganic Electronics
Issue number8
StatePublished - Jan 1 2009


  • Excitation
  • Exciton
  • Polaron
  • Polymers

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Biomaterials
  • General Chemistry
  • Condensed Matter Physics
  • Materials Chemistry
  • Electrical and Electronic Engineering


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