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

doi:10.1063/1.4876035

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

Friedrich-Alexander University Erlangen-Nürnberg

Research output: Contribution to journal › Journal article › Research › peer-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 language	English
Article number	204702
Journal	Journal of Chemical Physics
Volume	140
Issue number	20
Number of pages	10
ISSN	0021-9606
DOIs	https://doi.org/10.1063/1.4876035
Publication status	Published - 2014
Externally published	Yes

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title = "Modeling charge transport in C 60-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. {\textcopyright} 2014 AIP Publishing LLC.",

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AU - Leitherer, Susanne

AU - Jäger, C. M.

AU - Halik, M.

AU - Clark, T.

AU - Thoss, M.

PY - 2014

Y1 - 2014

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AB - 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.

U2 - 10.1063/1.4876035

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M3 - Journal article

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VL - 140

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

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

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