Modeling charge transport in C 60-based self-assembled monolayers for applications in field-effect transistors

Susanne Leitherer, C. M. Jäger, M. Halik, T. Clark, M. Thoss

Research output: Contribution to journalJournal articleResearchpeer-review

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. © 2014 AIP Publishing LLC.
Original languageEnglish
Article number204702
JournalJournal of Chemical Physics
Volume140
Issue number20
Number of pages10
ISSN0021-9606
DOIs
Publication statusPublished - 2014
Externally publishedYes

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