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Electronic Properties of Polymers pp 351–355Cite as

Modelling the Al/Polythiophene Interface: A Semiempirical Quantum Chemical Approach

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Part of the book series: Springer Series in Solid-State Sciences ((SSSOL,volume 107))

Abstract

We investigate the electronic structure of the interface between aluminum and polythiophene by means of MNDO semiempirical quantum calculations on a model hexamer system. The results are compared to the experimental data obtained previously. Different adsorption sites for the metal atoms are considered and the degree of charge transfer is evaluated. Finally, the aluminum deposition is compared to the doping process.

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Author information

Authors and Affiliations

  1. Department of Physics, Linköping University, S-58183, Linköping, Sweden

    S. Stafström & W. R. Salaneck

  2. Service de Chimie des Matériaux Nouveaux, Université de Mons-Hainaut, B-7000, Mons, Belgium

    S. Stafström, R. Lazzaroni & J. L. Brédas

Authors
  1. S. Stafström
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  2. W. R. Salaneck
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  3. R. Lazzaroni
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  4. J. L. Brédas
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Editor information

Editors and Affiliations

  1. Institut für Festkörperphysik, Universität Wien, Strudlhofgasse 4, A-1090, Wien, Austria

    Hans Kuzmany

  2. 2. Physikalisches Institut, Universität Stuttgart, Pfaffenwaldring 57, W-7000, Stuttgart 80, Fed. Rep. of Germany

    Michael Mehring

  3. Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, W-7000, Stuttgart 80, Fed. Rep. of Germany

    Siegmar Roth

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© 1992 Springer-Verlag Berlin Heidelberg

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Stafström, S., Salaneck, W.R., Lazzaroni, R., Brédas, J.L. (1992). Modelling the Al/Polythiophene Interface: A Semiempirical Quantum Chemical Approach. In: Kuzmany, H., Mehring, M., Roth, S. (eds) Electronic Properties of Polymers. Springer Series in Solid-State Sciences, vol 107. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-84705-9_64

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  • DOI: https://doi.org/10.1007/978-3-642-84705-9_64

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-84707-3

  • Online ISBN: 978-3-642-84705-9

  • eBook Packages: Springer Book Archive

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