Hi
Here's the abstract for Friday's good meeting. As of now, all the schedule
is confirmed.
Roberto
*TITLE: Theoretical Characterization of Charge Transport in Organic
Molecular
Crystals*
An overview of the theoretical characterization of the charge transport
parameters in organic semiconductors will be presented. We investigate
widely studied and well-known organic molecular semiconductors such as
oligoacene and oligothiophene derivatives. The local and nonlocal
electron-phonon interactions in oligoacene crystals are addressed using an
approach based on density functional theory. Within this framework, we
describe the vibronic coupling interactions in oligoacene cations, [1] the
electron-phonon coupling in oligoacene crystals, [2] and the charge
transport properties in small organic molecular crystals. [3]
1. J. Chem. Phys. B 2006, 110, 18904.
2. Manuscript in preparation, J. Chem. Phys.
3. Manuscript in preparation, Chem. Mater.
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