Modeling charge transport in C60-based self-assembled monolayers for applications in field-effect transistors

Leitherer S, Jäger C, Halik M, Clark T, Thoss M (2014)

Publication Language: English

Publication Type: Journal article, Report

Publication year: 2014

Journal

Journal of Chemical Physics AIP Publishing

Publisher: American Institute of Physics (AIP)

Book Volume: 140

Pages Range: 204702

URI: http://scitation.aip.org/content/aip/journal/jcp/140/20/10.1063/1.4876035

DOI: 10.1063/1.4876035

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 with CRIS profile

Susanne Leitherer Sonderforschungsbereich 953/3 Synthetische Kohlenstoffallotrope Christof Jäger Computer-Chemie-Centrum (CCC) Marcus Halik Professur für Werkstoffwissenschaften (Polymerwerkstoffe) Timothy Clark Computer-Chemie-Centrum (CCC) Michael Thoss Professur für Theoretische Physik mit dem Schwerpunkt Molekulare Materialien

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials (EAM)

How to cite

APA:

Leitherer, S., Jäger, C., Halik, M., Clark, T., & Thoss, M. (2014). Modeling charge transport in C60-based self-assembled monolayers for applications in field-effect transistors. Journal of Chemical Physics, 140, 204702. https://doi.org/10.1063/1.4876035

MLA:

Leitherer, Susanne, et al. "Modeling charge transport in C60-based self-assembled monolayers for applications in field-effect transistors." Journal of Chemical Physics 140 (2014): 204702.

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