Charge Transport in C60-based Single-Molecule Junctions with Graphene Electrodes

Journal article
(Letter)


Publication Details

Author(s): Leitherer S, Brana Coto P, Ullmann K, Weber HB, Thoss M
Journal: Nanoscale
Publication year: 2017
Volume: 9
Journal issue: 21
Pages range: 7217-7226
ISSN: 2040-3364
eISSN: 2040-3372


Abstract

We investigate charge transport in C60-based single-molecule junctions with graphene electrodes employing a combination of density functional theory (DFT) electronic structure calculations and Landauer transport theory. In particular, the dependence of the transport properties on the conformation of the molecular bridge and the type of termination of the graphene electrodes is investigated. Furthermore, electron pathways through the junctions are analyzed using the theory of local currents. The results reveal, in agreement with previous experiments, a pronounced dependence of the transport properties on the bias polarity, which is rationalized in terms of the electronic structure of the molecule. It is also shown that the edge states of zigzag-terminated graphene induce additional transport channels, which dominate transport at low voltages. The importance of the edge states for transport depends profoundly on the interface geometry of the junctions.


FAU Authors / FAU Editors

Brana Coto, Pedro Dr.
Professur für Theoretische Physik mit dem Schwerpunkt Elektronentransport in Molekülen
Leitherer, Susanne
Professur für Theoretische Physik mit dem Schwerpunkt Elektronentransport in Molekülen
Thoss, Michael Prof. Dr.
Professur für Theoretische Physik mit dem Schwerpunkt Elektronentransport in Molekülen
Ullmann, Konrad
Lehrstuhl für Angewandte Physik
Weber, Heiko B. Prof. Dr.
Lehrstuhl für Angewandte Physik


Additional Organisation
Exzellenz-Cluster Engineering of Advanced Materials


How to cite

APA:
Leitherer, S., Brana Coto, P., Ullmann, K., Weber, H.B., & Thoss, M. (2017). Charge Transport in C60-based Single-Molecule Junctions with Graphene Electrodes. Nanoscale, 9(21), 7217-7226. https://dx.doi.org/10.1039/C7NR00170C

MLA:
Leitherer, Susanne, et al. "Charge Transport in C60-based Single-Molecule Junctions with Graphene Electrodes." Nanoscale 9.21 (2017): 7217-7226.

BibTeX: 

Last updated on 2019-14-03 at 11:58