Table 2 Calculated dopant-bulk energy gap, current density and upper limit of the energy conversion efficiency P (%) of pure and doped CZTS considering 50nm film thickness.

From: Screening of suitable cationic dopants for solar absorber material CZTS/Se: A first principles study

system

dopant-bulk energy gap (eV)

current density (mA/cm2)

P %

Pure

1.43

20.01

12.12

SbSn

1.14

25.02

17.47

AlZn

1.97

16.80

09.68

GaZn

1.94

17.03

09.82

BaZn

1.36

20.60

13.21

Sb+Al

0.92

24.90

17.45

Sb+Ga

0.86

25.60

18.06

Sb+Ba

1.27

24.3

16.42

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