Berlin 2015 – wissenschaftliches Programm
DS 39.19: Poster
Donnerstag, 19. März 2015, 16:00–18:30, Poster F
Spectroscopic and transport properties of a novel charge transfer salts — •Torsten Hahn1, Florian Rückerl2, and Simon Liebing1 — 1Institut für Theoretische Physik, Leipziger Str. 23, TU Freiberg, D-09599 Freiberg — 2IFW Dresden, Helmholtzstraße 20, D-01069 Dresden
The recently synthesized Picene/F4TCNQ charge transfer salt  shows promising physical properties for the application in molecular electronics. Based on theoretical calculation within the density functional theory framework we predict the material to act as a molecular diode with high rectification ratio . We further conclude that the hybrid states formed by the donor / acceptor system are playing the key role to determine the spectroscopic and quantum transport properties. Additionally we extend our investigation to other novel charge transfer salts like Chrysene/F4TCNQ or Tetracene/F4TCNQ. We will show that the tuning of spectroscopic and transport properties through intramolecular charge transfer is a general concept which opens a new route towards functional materials for molecular electronics.
 Mahns, B. et. al., Cryst. Growth and Design 14, 1338-1346 (2014).  T. Hahn, S. Liebing, and J. Kortus, Nanoscale 6, 14508 (2014).