Doping-induced realignment of molecular levels at organic-organic heterojunctions

Antoine Kahn, Wei Zhao, Weiying Gao, Hector Vázquez, Fernando Flores

Research output: Contribution to journalArticlepeer-review

85 Scopus citations


This article examines how the concept of alignment of charge neutrality levels (CNL) can be used to explain and predict interface dipole and molecular level offset at organic-organic (OO) heterojunctions. The application of the model of CNL alignment to interfaces between undoped materials is reviewed first. The model is then extended to explain the shift of the CNL upon electrical doping of an organic material, and the resulting change in interface dipole and molecular level alignment. This approach provides, at this point, the first comprehensive prediction of energetics at OO heterojunctions.

Original languageEnglish (US)
Pages (from-to)129-137
Number of pages9
JournalChemical Physics
Issue number1
StatePublished - Jun 9 2006

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


  • Charge neutrality level
  • Heterojunctions
  • Molecular level alignment
  • Organic semiconductors


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