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. 2023 Apr 20;3(4):337–350. doi: 10.1021/acsmaterialsau.3c00006

Table 2. Comparison of Experimentally Derived Parameters with Fitting Parameters of the Modeling for the Self-Gating Cells and DEME-TFSI ILa.

DEME-TFSI experiment
diode circuit model
drift-diffusion model
comments
self-gating cells Rs Rsh Rs Rsh R1 Jsd Jsd1 Irec barrier EEC τn,psup τn,pint  
dry C60 (no IL) 1175 198 9.25 350 5000 0.19 0.9 6 0.33 4 × 10–4 2.5 × 10–12 1 × 10–11 b
wet C60 (self-charging) 32.3 300 20.5 350 500 0.142 4000 3 0.07 4 ×10–2 4.5 × 10–13 4.5 × 10–10 c
wet C60 (self-gating) 17.5 18761 9.25 1100 5 0.21 4000 2.4 0.03 4 × 10–2 7.3 × 10–13 2.8 × 10–11 d
dry C70 (no IL) 980 56 9.5 300 5000 0.22 0.24 0.6 0.43 4 × 10–4 2.5 × 10–12 1 × 10–11 e
wet C70 (self-charging) 29.3 245 17.5 300 2500 0.16 4200 0.4 0.07 4 × 10–2 2.8 × 10–12 2 × 10–11 f
wet C70 (self-gating) 18.1 1078 10 300 5 0.22 1800 0.4 0.01 3 × 10–2 2.8 × 10–12 1 × 10–11 g
a

The parameters unit are same as those in Tables S2 and S3.

b

High experimental Rs of 1175 Ω × cm2 correlates with Rs + R1, reflecting big Rct at interface and increase of small Rsh to wet correlates with increased Isd1 leakage in the wet case.

c

Experimental Rs(wet) correlates now with better fitting Rs(wet) of DC-model and R1 drops.

d

Experimental Rs(SG) further drops due to doping of CNT caused drop of Rs(CNT), which correlates with drop of R1 by 2 orders.

e

Change of R1 from dry to wet correlates with decrease of interface barrier (0.33 eV drop to 0.07 eV).

f

EEC of DD model improves upon wet self-charge by 2 orders, correlating also with barrier disappearance.

g

Barrier of DD model drops further (0.07 to 0.01 eV) upon self-gating, in correspondence with Rs (SG) drop in DC model.