Band Structure Engineering in Highly Crystalline Organic Semiconductors

Shu Jen Wang*, Sebastian Hutsch, Felix Talnack, Marielle Deconinck, Shiyu Huang, Zongbao Zhang, Anna-Lena Hofmann, Heiner Thiersch, Hans Kleemann, Yana Vaynzof, Stefan C. B. Mannsfeld, Frank Ortmann*, Karl Leo*

*Corresponding author for this work

Research output: Contribution to journalJournal articlepeer-review

1 Citation (Scopus)


Blending of semiconductors for controlling the energy levels (band structure engineering) is an important technique, in particular, for optoelectronic applications. The underlying physics is the delocalized Bloch states, which average over the potential landscape of the blend. For organic semiconductors, it has been shown that two quite different effects, the dielectric constant and electrostatic interaction between molecules, can be used to tune the energy gap and ionization energy of disordered and weakly crystalline organic semiconductor blends. It is so far not known whether the electronic delocalization in organic crystals with large bandwidths can contribute to the energy structure engineering of the blend in a way similar to that in inorganic semiconductors. Here, we investigate the growth of highly ordered organic thin-film blends with a similar chemical structure and show the effect of band structure engineering by spectroscopic methods. We rationalize the experimental results with comprehensive theoretical simulations, showing that the delocalization is a significant effect. Our work paves the way for engineering the band structure of highly ordered organic semiconductor thin films that can be tailored for the desired optoelectronic device application.

Original languageEnglish
Pages (from-to)7867-7874
Number of pages8
JournalChemistry of Materials
Issue number18
Publication statusPublished - 26 Sept 2023

Scopus Subject Areas

  • Materials Chemistry
  • Chemical Engineering(all)
  • Chemistry(all)


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