Pshenichnyuk I, Brana Coto P, Leitherer S, Thoss M (2013)
Publication Type: Journal article
Publication year: 2013
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
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.
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://dx.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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