Regensburg 2016 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 53: Poster II

HL 53.2: Poster

Mittwoch, 9. März 2016, 09:30–13:30, Poster A

Electronic transport properties of polycyclic hydrocarbon and TCNQ derivative based charge transfer dimers — •Simon Liebing, Torsten Hahn, and Jens Kortus — TU Bergakademie Freiberg, Institute for Theoretical Physics, Germany

The realization of high rectification ratios in molecular electronics has been challenge for many years, because of strong coupling of the molecules in the material. As a result even very asymmetric molecules or asymmetric coupling to electrodes showed rather symmetric current-voltage characteristic. Recently, we reported that the molecular system picene-F4TCNQ [1] is able to act as a molecular rectifier [2]. The rectification mechanism has been explained due to charge transfer between the two molecules effectively creating a molecular pn-junction.

Here we report on our investigations on polycyclic hydrocarbons and TCNQ derivatives in order to elucidate if this rectification mechanism applies there too. The theoretical calculations to obtain electronic and transport properties were performed by means of density functional theory and NEGF transport theory [3,4].
Mahns, B. et al. Crystal Growth & Design (2014). [2] Hahn T., Liebing S., and Kortus J., Nanoscale 6, 14508 (2014). [3] Pederson, M. et al., Phys. Status Solidi b 217, 197. (2000). [4] Enkovaara, J. et al., JOP: Condensed Matter 22, 253202 (2010).

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