Charge Transport through Ferrocene 1,1′-Diamine Single-Molecule Junctions

Kanthasamy, Karthiga; Ring, Markus; Nettelroth, Dennes; Tegenkamp, Christoph; Butenschön, Holger; Pauly, Fabian; Pfnür, Herbert

Charge Transport through Ferrocene 1,1′-Diamine Single-Molecule Junctions

Dateien

Kanthasamy_0-371615.pdfGröße: 273.39 KBDownloads: 425

Datum

2016

Autor:innen

Kanthasamy, Karthiga

Ring, Markus

Nettelroth, Dennes

Tegenkamp, Christoph

Butenschön, Holger

Pauly, Fabian

Pfnür, Herbert

Open Access-Veröffentlichung

Open Access Green

Sammlungen

Physik

Publikationstyp

Zeitschriftenartikel

Publikationsstatus

Published

Erschienen in

Small. 2016, 12(35), pp. 4849-4856. ISSN 1613-6810. eISSN 1613-6829. Available under: doi: 10.1002/smll.201601051

Zusammenfassung

The charge transport through ferrocene 1,1'-diamine (FDA) molecules between gold electrodes is investigated using the mechanically controllable break junction technique combined with a theoretical framework of density functional theory simulations to understand the physics of these molecular junctions. The characteristic conductances of the molecule are measured at low bias as well as current-voltage (IV) characteristics. By fitting the IV characteristics to the single-level model, the values for the position of the molecular level, mainly responsible for the transport, and its coupling to the leads, are obtained. The influence of the binding sites, molecular conformation, and electrode distance are systematically studied from a theoretical perspective. While a strong dependence of conductance on the adsorption geometry is found, the decrease of conductance as a function of electrode distance arises mainly from a decrease of coupling strength of the molecular electronic orbitals through a reduced overlap and, to a lesser extent, from a shift of their alignment with respect to the Fermi energy.

Fachgebiet (DDC)

530 Physik

Zitieren

ISO 690

KANTHASAMY, Karthiga, Markus RING, Dennes NETTELROTH, Christoph TEGENKAMP, Holger BUTENSCHÖN, Fabian PAULY, Herbert PFNÜR, 2016. Charge Transport through Ferrocene 1,1′-Diamine Single-Molecule Junctions. In: Small. 2016, 12(35), pp. 4849-4856. ISSN 1613-6810. eISSN 1613-6829. Available under: doi: 10.1002/smll.201601051

BibTex

@article{Kanthasamy2016Charg-35906,
  year={2016},
  doi={10.1002/smll.201601051},
  title={Charge Transport through Ferrocene 1,1′-Diamine Single-Molecule Junctions},
  number={35},
  volume={12},
  issn={1613-6810},
  journal={Small},
  pages={4849--4856},
  author={Kanthasamy, Karthiga and Ring, Markus and Nettelroth, Dennes and Tegenkamp, Christoph and Butenschön, Holger and Pauly, Fabian and Pfnür, Herbert}
}

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