Effect of Structure and Disorder on the Charge Transport in Defined Self-Assembled Monolayers of Organic Semiconductors

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Details zur Publikation

Autorinnen und Autoren: Schmaltz T, Gothe B, Krause A, Leitherer S, Steinrück HG, Thoss M, Clark T, Halik M
Zeitschrift: Acs Nano
Jahr der Veröffentlichung: 2017
ISSN: 1936-0851


Abstract

Self-assembled monolayer field-effect transistors (SAMFETs) are not only a promising type of organic electronic device but also allow detailed analyses of structure-property correlations. The influence of the morphology on the charge transport is particularly pronounced, due to the confined monolayer of 2D-\textgreekp-stacked organic semiconductor molecules. The morphology, in turn, is governed by relatively weak van-der-Waals interactions and is thus prone to dynamic structural fluctuations. Accordingly, combining electronic and physical characterization and time-averaged X-ray analyses with the dynamic information available at atomic resolution from simulations allows us to characterize self-assembled monolayer (SAM) based devices in great detail. For this purpose, we have constructed transistors based on SAMs of two molecules that consist of the organic p-type semiconductor benzothieno[3,2-b][1]benzothiophene (BTBT), linked to a C11 or C12 alkylphosphonic acid. Both molecules form ordered SAMs; however, our experiments show that the size of the crystalline domains and the charge-transport properties vary considerably in the two systems. These findings were confirmed by molecular dynamics (MD) simulations and semiempirical molecular-orbital electronic-structure calculations, performed on snapshots from the MD simulations at different times, revealing, in atomistic detail, how the charge transport in organic semiconductors is influenced and limited by dynamic disorder.


FAU-Autorinnen und Autoren / FAU-Herausgeberinnen und Herausgeber

Clark, Timothy apl. Prof. Dr.
Computer-Chemie-Centrum
Gothe, Bastian
Professur für Werkstoffwissenschaften (Polymerwerkstoffe)
Halik, Marcus Prof. Dr.
Professur für Werkstoffwissenschaften (Polymerwerkstoffe)
Krause, Andreas
Interdisziplinäres Zentrum für Molekulare Materialien
Leitherer, Susanne
Professur für Theoretische Physik mit dem Schwerpunkt Elektronentransport in Molekülen
Schmaltz, Thomas
Professur für Werkstoffwissenschaften (Polymerwerkstoffe)
Steinrück, Hans-Georg
Lehrstuhl für Kristallographie und Strukturphysik
Thoss, Michael Prof. Dr.
Professur für Theoretische Physik mit dem Schwerpunkt Elektronentransport in Molekülen


Zusätzliche Organisationseinheit(en)
Exzellenz-Cluster Engineering of Advanced Materials


Forschungsbereiche

B Nanoelectronic Materials
Exzellenz-Cluster Engineering of Advanced Materials
A3 Multiscale Modeling and Simulation
Exzellenz-Cluster Engineering of Advanced Materials


Zitierweisen

APA:
Schmaltz, T., Gothe, B., Krause, A., Leitherer, S., Steinrück, H.-G., Thoss, M.,... Halik, M. (2017). Effect of Structure and Disorder on the Charge Transport in Defined Self-Assembled Monolayers of Organic Semiconductors. Acs Nano. https://dx.doi.org/10.1021/acsnano.7b02394

MLA:
Schmaltz, Thomas, et al. "Effect of Structure and Disorder on the Charge Transport in Defined Self-Assembled Monolayers of Organic Semiconductors." Acs Nano (2017).

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Zuletzt aktualisiert 2019-14-03 um 12:59

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