Integer charge transfer and hybridization at an organic semiconductor/conductive oxide interface

Marco Gruenewald, Laura K. Schirra, Paul Winget, Michael Kozlik, Paul F. Ndione, Ajaya K. Sigdel, Joseph J. Berry, Roman Forker, Jean Luc Brédas, Torsten Fritz, Oliver L A Monti Masel

Research output: Contribution to journalArticle

36 Citations (Scopus)

Abstract

We investigate the prototypical hybrid interface formed between PTCDA and conductive n-doped ZnO films by means of complementary optical and electronic spectroscopic techniques. We demonstrate that shallow donors in the vicinity of the ZnO surface cause an integer charge transfer to PTCDA, which is clearly restricted to the first monolayer. By means of DFT calculations, we show that the experimental signatures of the anionic PTCDA species can be understood in terms of strong hybridization with localized states (the shallow donors) in the substrate and charge back-donation, resulting in an effectively integer charge transfer across the interface. Charge transfer is thus not merely a question of locating the Fermi level above the PTCDA electron-transport level but requires rather an atomistic understanding of the interfacial interactions. The study reveals that defect sites and dopants can have a significant influence on the specifics of interfacial coupling and thus on carrier injection or extraction.

Original languageEnglish (US)
Pages (from-to)4865-4873
Number of pages9
JournalJournal of Physical Chemistry C
Volume119
Issue number9
DOIs
StatePublished - Mar 5 2015

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Semiconducting organic compounds
organic semiconductors
Oxides
integers
Charge transfer
charge transfer
oxides
carrier injection
Fermi level
Discrete Fourier transforms
Monolayers
Doping (additives)
signatures
Defects
causes
defects
Substrates
electronics
electrons
interactions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

Cite this

Integer charge transfer and hybridization at an organic semiconductor/conductive oxide interface. / Gruenewald, Marco; Schirra, Laura K.; Winget, Paul; Kozlik, Michael; Ndione, Paul F.; Sigdel, Ajaya K.; Berry, Joseph J.; Forker, Roman; Brédas, Jean Luc; Fritz, Torsten; Monti Masel, Oliver L A.

In: Journal of Physical Chemistry C, Vol. 119, No. 9, 05.03.2015, p. 4865-4873.

Research output: Contribution to journalArticle

Gruenewald, M, Schirra, LK, Winget, P, Kozlik, M, Ndione, PF, Sigdel, AK, Berry, JJ, Forker, R, Brédas, JL, Fritz, T & Monti Masel, OLA 2015, 'Integer charge transfer and hybridization at an organic semiconductor/conductive oxide interface', Journal of Physical Chemistry C, vol. 119, no. 9, pp. 4865-4873. https://doi.org/10.1021/jp512153b
Gruenewald M, Schirra LK, Winget P, Kozlik M, Ndione PF, Sigdel AK et al. Integer charge transfer and hybridization at an organic semiconductor/conductive oxide interface. Journal of Physical Chemistry C. 2015 Mar 5;119(9):4865-4873. https://doi.org/10.1021/jp512153b
Gruenewald, Marco ; Schirra, Laura K. ; Winget, Paul ; Kozlik, Michael ; Ndione, Paul F. ; Sigdel, Ajaya K. ; Berry, Joseph J. ; Forker, Roman ; Brédas, Jean Luc ; Fritz, Torsten ; Monti Masel, Oliver L A. / Integer charge transfer and hybridization at an organic semiconductor/conductive oxide interface. In: Journal of Physical Chemistry C. 2015 ; Vol. 119, No. 9. pp. 4865-4873.
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