Molecular Orientation Dependence of the Ionization Energy of Pentacene in Thin Films

Part of the Springer Proceedings in Physics book series (SPPHY, volume 129)


An isolated individual molecule clearly has only one ionization energy. For ordered molecular assemblies, however, multiple values have been found depending on the orientation of the molecules relative to a supporting substrate. This intriguing observation is rationalized here for the prototypical molecule pentacene, in terms of intrinsic “surface dipoles” built into the molecules, which collectively give rise to the orientation dependence of the molecular ionization energy.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 1.
    H. B. Michaelson, J. Appl. Phys. 48, 4729, 1977.CrossRefADSGoogle Scholar
  2. 2.
    H. L. Skriver and N. M. Rosengaard, Phys. Rev. B 46, 7157, 1992.ADSGoogle Scholar
  3. 3.
    R. Smoluchowski, Phys. Rev. 60, 661, 1941.MATHCrossRefADSGoogle Scholar
  4. 4.
    N. D. Lang and W. Kohn, Phys. Rev. B 3, 1215, 1971.ADSGoogle Scholar
  5. 5.
    S. Duhm, G. Heimel, I. Salzmann, H. Glowatzki, R. L. Johnson, A. Vollmer, J. P. Rabe and N. Koch, Nat. Mater. 7, 326, 2008.PubMedCrossRefADSGoogle Scholar
  6. 6.
    N. Koch, I. Salzmann, R. L. Johnson, J. Pflaum, R. Friedlein and J. P. Rabe, Org. Electron. 7, 537 2006.CrossRefGoogle Scholar
  7. 7.
    H. Fukagawa, H. Yamane, T. Kataoka, S. Kera, M. Nakamura, K. Kudo and N. Ueno, Phys. Rev. B 73, 245310, 2006.ADSGoogle Scholar
  8. 8.
    J. Ivanco, B. Winter, F. R. Netzer and M. G. Ramsey, Adv. Mater. 15, 1812, 2003.CrossRefGoogle Scholar
  9. 9.
    N. Koch, A. Vollmer, S. Duhm, Y. Sakamoto and T. Suzuki, Adv. Mater. 19, 112, 2007.CrossRefGoogle Scholar
  10. 10.
    N. Koch, A. Elschner, J. P. Rabe and R. L. Johnson, Adv. Mater. 17, 330, 2005.CrossRefGoogle Scholar
  11. 11.
    P. E. Blöchl, Phys. Rev. B 50, 17953, 1994.ADSGoogle Scholar
  12. 12.
    G. Kresse and D. Joubert, Phys. Rev. B 59, 1758, 1999.ADSGoogle Scholar
  13. 13.
    H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188, 1976.ADSMathSciNetGoogle Scholar
  14. 14.
    G. Kresse and J. Furthmüller, Comp. Mater. Sci. 6, 15, 1996.CrossRefGoogle Scholar
  15. 15.
    C. B. France, P. G. Schroeder, J. C. Forsythe and B. A. Parkinson, Langmuir 19, 1274, 2003.CrossRefGoogle Scholar
  16. 16.
    C. C. Mattheus, A. B. Dros, J. Baas, A. Meetsma, J. L. de Boer and T. T. M. Palstra, Acta Cryst. C 57, 939, 2001.Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 2009

Authors and Affiliations

  1. 1.Institut für PhysikHumboldt-Universität zu BerlinNewtonstraßeBerlin

Personalised recommendations