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Rapid and Robust Analysis of Cellular and Molecular Polarization Induced by Chemokine Signaling
Published on: December 12, 2014
Effect of Polarization on the Mobility of C60: A Kinetic Monte Carlo Study
Riccardo Volpi1, Sathish Kottravel2, Morten Steen Nørby1,3
1Department of Physics, Chemistry and Biology (IFM), Linköping University , SE-581 83 Linköping, Sweden.
Abstract:
We present a study of mobility field and temperature dependence for C60 with Kinetic Monte Carlo simulations. We propose a new scheme to take into account polarization effects in organic materials through atomic induced dipoles on nearby molecules. This leads to an energy correction for the single site energies and to an external reorganization happening after each hopping. The inclusion of polarization allows us to obtain a good agreement with experiments for both mobility field and temperature dependence.
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