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SUMMARY:Organic Semiconductors: Modeling the Charge Transport - Alessandro
  Troisi\, University of Warwick
DTSTART:20060207T141500Z
DTEND:20060207T151500Z
UID:TALK4649@talks.cam.ac.uk
CONTACT:Chris McNeill
DESCRIPTION:In organic crystalline semiconductor molecular components are 
 held together by very weak interactions and the transfer integrals between
  neighboring molecular orbitals are extremely sensitive to small nuclear d
 isplacements. Using a mixed quantum chemical and molecular dynamic methodo
 logy\, we assess the effect of thermal structural fluctuations on the modu
 lation of the transfer integrals between close molecules. We use the compu
 tational results to propose a alternative transport mechanism. This can ex
 plain several contrasting experimental observations pointing sometimes to 
 a delocalized band-like transport and sometimes to the existence of strong
 ly localized charge carriers. 
LOCATION:Small Lecture Theatre\, Cavendish Laboratory\, Department of Phys
 ics
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