Modeling Charge Transport in C60-based Self-assembled Monolayers for Applications in Field-Effect Transistors

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 result...

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Veröffentlicht in:	arXiv.org 2014-03
Hauptverfasser:	Leitherer, Susanne, Jäger, Christof, Halik, Marcus, Clark, Timothy, Thoss, Michael
Format:	Artikel
Sprache:	eng
Schlagworte:	Buckminsterfullerene Charge transport Computer simulation Electronic properties Electronic structure Field effect transistors Fullerenes Molecular dynamics Molecular structure Monolayers Physics - Mesoscale and Nanoscale Physics Resistance Self-assembled monolayers Self-assembly Semiconductor devices Transistors Transport properties Transport theory Variation
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Zusammenfassung:	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.
ISSN:	2331-8422
DOI:	10.48550/arxiv.1403.1689