Fig. 1: Doped organic semiconductor materials and morphologies.
From: Controlling doping efficiency in organic semiconductors by tuning short-range overscreening
a Host molecules. b Dopants TCNQ, F4TCNQ, and F6TCNNQ (top to bottom) with progressively increasing quadrupole moments component Qzz (31.6 \(e{a}_{0}^{2}\), 36.8 \(e{a}_{0}^{2}\), 51.0 \(e{a}_{0}^{2}\), respectively). c Distribution of dopants in a host matrix, exemplified for NPB:F6TCNNQ (5 mol%), dopants shown in red. d–f CT binding energy is computed via different charged states in comparison to the neutral state of a host–dopant pair embedded in the explicit polarization shell: IP is computed via a charged host (blue) and neutral dopant, EA via charged dopant (red) and neutral host. ECT is computed via the CT state.
