Fig. 4: Experimental validation and the role of ICT state binding energy disorder.
From: Controlling doping efficiency in organic semiconductors by tuning short-range overscreening
a Dependence of the simulated conductivities on the dopant molar ratio of the systems BF-DPB:F6TCNNQ and MeO-TPD:F6TCNNQ in comparison to experiment. Simulations reproduce experimentally observed absolute values and the concentration dependence of the conductivity. Points and error bars denote the mean and standard error of the mean of 20 independent kMC simulations. b Distance-dependent mean and disorder of VC(r) of the microscopic model (points and error bars, respectively) in comparison to a screened monopole–monopole model (classical Coulomb interaction) show (i) a much larger disorder of VC(r) for BF-DPB in comparison to MeO-TPD, explaining the reduced conductivity in (a) and (ii) a reversal of the order of VC(r) between the two host materials at small distances.
