Fig. 4: Temperature-dependent experimental and theoretical hole and electron mobilities for DPPT-TT and related inverse participation ratio (IPR) distributions.
From: Spin relaxation of electron and hole polarons in ambipolar conjugated polymers
a, b Experimental polaron mobilities reproduced from Fig. 3d and corresponding theoretical mobilities calculated as described in the text for two different values of λext (i.e., 100 and 150 meV). The blue and orange shaded regions indicate the interval spanned by these two values. Theoretical intra-chain mobilities are given as an average over 10,000 surface-hopping trajectories. c, d Violin plots representing IPR distributions (obtained from the same surface-hopping trajectories) at 150 K and 300 K for electron and hole wavefunctions, respectively. In this case, λext = 150 meV is shown. Black bars in the center represent interquartile ranges, while the thinner black lines stretching from the center represent Tukey’s fences. White and magenta dots represent medians and means of the distributions, respectively. The mode of the distributions can be inferred by their maximum width. Note that electron IPR distributions have longer tails at all temperatures.
