Regensburg 2016 – wissenschaftliches Programm
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  is able to act as a molecular rectifier . 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).  Hahn T., Liebing S., and Kortus J., Nanoscale 6, 14508 (2014).  Pederson, M. et al., Phys. Status Solidi b 217, 197. (2000).  Enkovaara, J. et al., JOP: Condensed Matter 22, 253202 (2010).