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ChargeTransport (version 1.0.1)

Charge Transfer Rates and Charge Carrier Mobilities

Description

This package provides functions to compute Marcus, Marcus-Levich-Jortner or Landau-Zener charge transfer rates. These rates can then be used to perform kinetic Monte Carlo simulations to estimate charge carrier mobilities in molecular materials. The preparation of this package was supported by the the Fondazione Cariplo (PLENOS project, ref. 2011-0349).

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Version

Install

install.packages('ChargeTransport')

Monthly Downloads

22

Version

1.0.1

License

GPL

Maintainer

Julien Idé

Last Published

March 24th, 2014

Functions in ChargeTransport (1.0.1)

KMC

Charge Transport Simulation
activationFreeEnergy

Activation Free Energy
dEField

Site Energy Difference due to an Electric Field
LandauZener

Landau-Zener Charge Transfer Rates
universalConstants

universal Constants
energyConversion

Energy Conversion
Marcus

Marcus Charge Transfer Rates
MarcusLevichJortner

Marcus-Levich-Jortner Charge Transfer Rates