Electronic structure of organic photovoltaic materials: Modeling of exciton-dissociation and charge-recombination processes

Jérôme Cornil, Vincent Lemaur, Michelle C. Steel, Hélène Dupin, Annick Burquel, David Beljonne, Jean Luc Brédas

Research output: Chapter in Book/Report/Conference proceedingChapter

1 Scopus citations

Abstract

In this chapter, we describe at the quantum-chemical level, the main parameters governing the exciton-dissociation and charge-recombination processes that determine the efficiency of organic photovoltaic materials.Wetake as example a blend made of phthalocyanine as the electron donor and perylene bisimide as the acceptor. On the basis of the theoretical results, various strategies are discussed in order to increase the number of generated charge carriers in organic blends.

Original languageEnglish (US)
Title of host publicationOrganic Photovoltaics
Subtitle of host publicationMechanisms, Materials, and Devices
PublisherCRC Press
Pages161-182
Number of pages22
ISBN (Electronic)9781420026351
ISBN (Print)082475963X, 9780824759636
DOIs
StatePublished - Jan 1 2017
Externally publishedYes

Keywords

  • Charge recombination
  • Driving force
  • Electron-transfer theory
  • Electronic coupling
  • Exciton dissociation
  • Marcus theory
  • Organic conjugated materials
  • Organic photovoltaics
  • Photoinduced electron-transfer
  • Quantum-chemical calculations
  • Reorganization energy
  • Weller equation

ASJC Scopus subject areas

  • Engineering(all)
  • Environmental Science(all)

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