Table 2.

Wavefunction delocalization (〈IPR〉), exciton diffusion constants (D), and exciton diffusion lengths (L).

		FE-SH			Experiment
Systems	Dir.	〈IPR〉	D (10−3 cm2 s−1) a	L (nm) b	${\tau }_{\exp }$ (s)	$D_{\exp }$ (10−3 cm2 s−1) c	$L_{\exp }$ (nm)
ANT	a	1.0	0.8 ± 0.3	39 ± 6	1.0 × 10−8d	1.8 e	60 f
	b		3.3 ± 0.8	81 ± 9		5.0 e	100 f
a6T	a	1.2	6 ± 1	46 ± 5	1.8 × 10−9g	4.9 h	60 i
	b		4.5 ± 0.3	40 ± 1
PDI	a	1.5	26 ± 4	-	-	-	-
	b		9 ± 3	-	-	-	-
DCVSN5	a	2.1	60 ± 11	-	-	-	-
Y6	a	2.0	150 ± 7	87 ± 2	2.5 × 10−10j	54 k	37 j (90l)

^a In FE-SH D is directly computed using Eq. (6). The diffusion constants were averaged over FE-SH simulations carried out for different system sizes, as reported in Supplementary Fig. 9. Error bars indicate the corresponding standard deviations.

^b$L=\sqrt{2D{\tau }_{\exp }}$.

^c Usually the diffusion constant, $D_{\exp }$, is not directly measured in experiments. In this case, we estimated $D_{\exp }$ using the experimentally observed $L_{\exp }$.

^d Taken from ref. ²⁶.

^eEstimated considering $D_{\exp }=L_{\exp }^2/2{\tau }_{\exp }$ assuming that the transport occurs in different 1D directions as done in ref. ²⁹.

^fTaken from ref. ^27,28.

^gTaken from ref. ⁷²

^hEstimated assuming that a6T forms a 2D thin-film and the diffusion occurs isotropically within the herringbone plane, so that $D_{\exp }=L_{\exp }^2/4{\tau }_{\exp }$.

ⁱTaken from ref. ⁷³. Note that $L_{\exp }$ in this case refers to a6T thin-film morphology and it should be taken as indicative only when comparing with the computed value (see Supplementary Note 6 for a discussion).

^jTaken from ref. ⁵. $L_{\exp }$ in this case refers to Y6 thin-film morphology and it should be taken again as indicative only.

^kTaken from ref. ⁵, where a 3D model was used to estimate this value.

^lEstimated assuming isotropic exciton transport in 3D and taking $D_{\exp }$ and ${\tau }_{\exp }$ from ref. ⁵. In this case $L_{\exp }=\sqrt{6D_{\exp }{\tau }_{\exp }}$.