Computer Science Research Institute

Title: Charge transport in columnar mesophases of discotics

Speaker: Dr. Dr. Denis Andrienko, leader of the Molecular Electronics group in the Theory Department (Prof. K. Kremer) of the Max Planck Institute for Polymer Research, Mainz, Germany

Date/Time: Thursday, 6 March 2008, 4:00 PM

Location: CSRI Building, Room 90 (Sandia NM)

Brief Abstract: Combining atomistic molecular dynamic simulations, Kinetic Monte Carlo, and Marcus-Hush approaches, we correlate the temperature-driven change of the mesophase structure with the change of charge carrier mobilities in columnar phases of hexabenzocoronene derivatives. It is shown that different values of mobilities observed in the herringbone and hexagonal mesophases are predominantly due to the change of the overlap integral between the neighboring molecules.

The Computer Science Research Institute (CSRI), 1450 Innovation Pkwy in Sandia Research and Technology Park, is at the east end of Research Rd.
For more information visit: _http://www.cs.sandia.gov/CSRI_

Denis is visiting SNL Albuquerque throughout the entire week before the APS meeting in New Orleans. If interested, don't hesitate to contact me to schedule meetings. Further information about his work can be found at http://www.mpip-mainz.mpg.de/~andrienk/

CSRI POC: Anatole von Lilienfeld, (505) 284-8829