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

Susanne Leitherer, Christof Jaeger, Markus Halik, Tim Clark, Michael Thoss

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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.

Original languageEnglish
Article number204702
Pages (from-to)204702
JournalJournal of Chemical Physics
Volume140
Issue number20
Early online date22 May 2014
DOIs
Publication statusPublished - 2014

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