Table 7 The estimated Voc, FF, Jsc, PCE (%) values of all studied systems.

From: DFT study of benzothiadiazole based small molecules for high efficiency organic photovoltaics

Molecules

Voc (V)

FF

Jsc (mA/cm2)

Est

PCE (%)

Est

REF

2.36

0.9402

5.4

12

G1

1.31

0.9045

20.5

24.9

G2

1.13

0.8927

22.6

22.8

G3

1.19

0.8968

21.4

22.9

G4

1.34

0.9059

25.2

30.6

G5

1.66

0.9205

24.2

37

G6

1.37

0.9078

25.0

31.1

G7

1.16

0.8951

31.2

32.4

G8

1.50

0.9141

19.3

26.5

ITIC66

1.01

0.5670

19.94

11.41

Y667

0.82

0.5500

5.3

2.4

  1. Reported values are in bold.
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