Berlin 2012 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 91: [MA] Poster II
O 91.41: Poster
Freitag, 30. März 2012, 11:00–14:00, Poster A
Transport properties of novel Anthraquinone based molecular switches — •Simon Liebing1, Torsten Hahn1, Nadine Seidel2, Tim Ludwig3, and Jens Kortus1 — 1Institut for Theoretical Physics, TU Bergakademie Freiberg, 09596 Freiberg, Germany — 2Institut for Organic Chemistry, TU Bergakademie Freiberg, 09596 Freiberg, Germany — 3Institute for Theoretical Physics, TU Dresden, 01062 Dresden, Germany
Anthraquinone derivatives were recently reported to be good candidates for application as molecular switches [1]. We present a novel molecular system based on the anthraquinone-core π conjugated spacers and linkers units. The influence on the transport properties of model junctions by chemical modifications of the anthraqunine-core as well as the impact of difficult linker units is discussed. The authors show how chemical modifications can be used for Fermi level and band gap engineering. The theoretical results based on DFT [2] and NEGF [3] calculations are used to suggest further optimizations of the molecular system.
[1] Elisabeth H. van Dijk et al., Synthesis and Properties of an Anthraquinone-Based Redox Switch for Molecular Electronics, Org. Lett. 8, no. 11 (November 30, 2011): 2333-2336. [2] M. Pederson, D. Porezag, J. Kortus, and D. Patton, Phys. Status Solidi b - Basic Res., 2000,217, 197. [3] S. Datta, Nanotechnology, 2004, 15, 433.