Charge transport parameters of HBC at different temperatures

We study the dependence on temperature of the charge transport parameters for hexabenzocoronene (HBC). Following from Marcus theory, two charge transport parameters will be calculated: the transfer integral and the difference in site energies. These parameters are strongly dependent on the orientati...

Full description

Saved in:
Bibliographic Details
Published in:Physica Status Solidi (b) 2008-05, Vol.245 (5), p.835-838
Main Authors: Kirkpatrick, J., Marcon, V., Kremer, K., Nelson, J., Andrienko, D.
Format: Article
Language:English
Subjects:
64.70.mf
72.20.Ee
72.80.Le
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Conductivity of specific materials
Electronic transport in condensed matter
Exact sciences and technology
Liquid semiconductors
Physics
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:We study the dependence on temperature of the charge transport parameters for hexabenzocoronene (HBC). Following from Marcus theory, two charge transport parameters will be calculated: the transfer integral and the difference in site energies. These parameters are strongly dependent on the orientation and position of molecules. Position and orientation of molecules are determined using molecular dynamics. Transfer integrals are calculated from a simplified INDO method. A technique to compute energetic disorder, that is the spread in site energies for the charge carriers, is developed. In the herringbone phase transfer integrals are higher, but so is energetic disorder. We consider three derivatives of HBC with different side chains, which lead to different phase behaviour and distributions of charge transport parameters. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
ISSN:0370-1972
1521-3951
DOI:10.1002/pssb.200743487