title: Modeling charge transport in C60-based self-assembled monolayers for applications in field-effect transistors.
abstract: We have investigated the conductance properties of C60-containing self-assembled monolayers (SAMs), which are used in organic field-effect transistors, employing a combination of molecular-dynamics simulations, semiempirical electronic structure calculations, and Landauer transport theory. The results reveal the close relation between the transport characteristics and the structural and electronic properties of the SAM. Furthermore, both local pathways of charge transport in the SAMs and the influence of structural fluctuations are analyzed.
authors.affiliation: Institute for Theoretical Physics and Interdisciplinary Center for Molecular Materials, University Erlangen-Nürnberg, Staudtstr. 7/B2, D-91058 Erlangen, Germany.
authors.forename: S
authors.initials: S
authors.lastname: Leitherer
authors.affiliation: Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, University Erlangen-Nürnberg, Nägelsbachstr. 25, 91052 Erlangen, Germany.
authors.forename: C M
authors.initials: CM
authors.lastname: Jäger
authors.affiliation: Organic Materials and Devices, Institute of Polymer Materials, Department of Materials Science, University Erlangen-Nürnberg, Martensstr. 7, D-91058 Erlangen, Germany.
authors.forename: M
authors.initials: M
authors.lastname: Halik
authors.affiliation: Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, University Erlangen-Nürnberg, Nägelsbachstr. 25, 91052 Erlangen, Germany.
authors.forename: T
authors.initials: T
authors.lastname: Clark
authors.affiliation: Institute for Theoretical Physics and Interdisciplinary Center for Molecular Materials, University Erlangen-Nürnberg, Staudtstr. 7/B2, D-91058 Erlangen, Germany.
authors.forename: M
authors.initials: M
authors.lastname: Thoss