Charge Transport in Pentacene–Graphene Nanojunctions

Pshenichnyuk I, Brana Coto P, Leitherer S, Thoss M (2013)

Publication Type: Journal article

Publication year: 2013

Journal

Journal of Physical Chemistry Letters American Chemical Society

Publisher: American Chemical Society

Book Volume: 4

Pages Range: 809-814

Journal Issue: 5

URI: http://pubs.acs.org/doi/abs/10.1021/jz400025q

DOI: 10.1021/jz400025q

Abstract

We investigate charge transport in pentacene-graphene nanojunctions employing density functional theory (DFT) electronic structure calculations and the Landauer transport formalism. The results show that the unique electronic properties of graphene strongly influence the transport in the nanojunctions. In particular, edge states in graphene electrodes with zigzag termination result in additional transport channels close to the Fermi energy, which deeply affects the conductance at small bias voltages. Investigating different linker groups as well as chemical substitution, we demonstrate how the transport properties are furthermore influenced by the molecule-lead coupling and the energy level lineup. © 2013 American Chemical Society.

Authors with CRIS profile

Ivan Pshenichnyuk Professur für Theoretische Physik mit dem Schwerpunkt Molekulare Materialien Pedro Brana Coto Professur für Theoretische Physik mit dem Schwerpunkt Molekulare Materialien Susanne Leitherer Professur für Theoretische Physik mit dem Schwerpunkt Molekulare Materialien Michael Thoss Professur für Theoretische Physik mit dem Schwerpunkt Molekulare Materialien

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials

How to cite

APA:

Pshenichnyuk, I., Brana Coto, P., Leitherer, S., & Thoss, M. (2013). Charge Transport in Pentacene–Graphene Nanojunctions. Journal of Physical Chemistry Letters, 4(5), 809-814. https://doi.org/10.1021/jz400025q

MLA:

Pshenichnyuk, Ivan, et al. "Charge Transport in Pentacene–Graphene Nanojunctions." Journal of Physical Chemistry Letters 4.5 (2013): 809-814.

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