Regensburg 2013 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 36: Poster Session II (Organic films and electronics, photoorganics; Nanostructures; Plasmonics and nanooptics, Surface chemical reactions and heterogeneous catalysis, Surface dynamics )
O 36.11: Poster
Dienstag, 12. März 2013, 18:15–21:45, Poster B2
Simulation of charge transport in C60 self-assembled monolayers for applications in field-effect transistors — •Susanne Leitherer1, Christof Jäger2, Tim Clark2, and Michael Thoss1 — 1Institut für Theoretische Physik, Interdisziplinäres Zentrum für Molekulare Materialien, Friedrich-Alexander-Universität Erlangen-Nürnberg, Staudtstr. 7/B2, 91058 Erlangen, Germany — 2Computer-Chemie-Centrum, Interdisziplinäres Zentrum für Molekulare Materialien, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052 Erlangen, Germany
Charge transport through self-assembled monolayers (SAMs), which are used in field-effect transistors [1], is studied employing the Landauer transport formalism. In particular, SAMs consisting of C60 as active layer, functionalized by octadecyl phosphonic acids and insulating alkyl phosphonic acids are investigated [1]. The structure of the SAMs is characterized by molecular dynamics simulations [2] and semi-empirical electronic structure calculations [3]. Using small test systems, we analyze pathways for efficient charge transport by examining the transmission eigenchannels [4]. Moreover, the dependence of the transport properties on the mixing ratio of the molecules is discussed.
[1] M. Novak et al., Nano Lett. 11, 156 (2011)
[2] M. Novak et al., Organic Electronics 11, 1479 (2010)
[3] C. Jäger et al., Nat. Chem., submitted 2012
[4] J. C. Cuevas et al., Phys. Rev. Lett. 80, 1066 (1998)