Berlin 2012 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

TT: Fachverband Tiefe Temperaturen

TT 32: Transport: Nanoelectronics III - Molecular Electronics 1

TT 32.5: Vortrag

Mittwoch, 28. März 2012, 16:00–16:15, BH 334

Transport through π-stacked benzene rings and evaluation of their IETS — •Thomas Hellmuth, Marius Bürkle, Fabian Pauly, and Gerd Schön — Institut für Theoretische Festkörperphysik, Karlsruhe Institute of Technology, 76131 Karlsruhe, Germany

Motivated by recent experiments [1], we study the electric transport through wires with multiple π-π-stacked benzene rings connected to gold electrodes. In our density-functional-theory-based calculations we analyze various junction geometries and study both the elastic transmission and inelastic electron tunneling spectra (IETS). Transmission eigenchannels show that the current is mostly carried by the π-system, but the gold-benzene binding affects the transmission path notably. Features in the inelastic tunneling spectra are identified with their corresponding vibrational modes.
S. T. Schneebeli et al., J. Am. Chem. Soc. 133, 2136 (2011)