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

Beitrag in einer Fachzeitschrift
(Letter)


Details zur Publikation

Autorinnen und Autoren: Leitherer S, Brana Coto P, Ullmann K, Weber HB, Thoss M
Zeitschrift: Nanoscale
Jahr der Veröffentlichung: 2017
Band: 9
Heftnummer: 21
Seitenbereich: 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-Autorinnen und Autoren / FAU-Herausgeberinnen und Herausgeber

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


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


Forschungsbereiche

B Nanoelectronic Materials
Exzellenz-Cluster Engineering of Advanced Materials


Zitierweisen

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: 

Zuletzt aktualisiert 2019-14-03 um 11:58