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. 2022 Jun 27;7(27):23800–23814. doi: 10.1021/acsomega.2c02475

Table 3. Best ICDD PDF Files That Fit All the XRD Peaks of the Predominant Tetragonal CZTS Phase in Each Sample Synthesized by the Deposition of a ZnS Layer, with a Thickness of 150 and 200 nm, on Top of the CTS Layer, Annealed for 30, 45, and 60 min in Sulfur and Tin + Sulfur Atmospheres.

sample and annealing atmosphere annealing time (min) predominant phase ratio, composition, ICDD PDF no., lattice system, space group, and a (Å)/c (Å) secondary phases, ratio, composition, ICDD PDF no., lattice system, and space group
SLG\CTS\ZnS-150, sulfur 30 99%, Cu2.57Zn0.74Sn0.58S3.28, 04-024-9293, tetragonal, I-4 (82), 5.421/10.830 1%, ZnS, 04-012-8144, hexagonal, P63mc (186)  
45 99%, Cu1.71Zn1.18Sn0.99S4, 04-023-6315, tetragonal, I-4 (82), 5.430/10.822 1%, ZnS, 04-012-8144, hexagonal, P63mc (186)  
60 99%, Cu1.71Zn1.18Sn0.99S4, 04-023-6315, tetragonal, I-4 (82), 5.430/10.822 1%, ZnS, 04-012-8144, hexagonal, P63mc (186)  
SLG\CTS\ZnS-200, sulfur 30 98%, Cu1.71Zn1.18Sn0.99S4, 04-023-6315, tetragonal, I-4 (82), 5.430/10.822 1%, ZnS, 04-012-8144, hexagonal, P63mc (186) 1%, CuS, 04–008-8460, hexagonal, P63-mmc (194)
45 99%, Cu1.88Zn1.06SnS4, 04-024-5532, tetragonal, I-4 (82), 5.434/10.834 1%, ZnS, 04-012-8144, hexagonal, P63mc (186)  
60 99%, Cu1.93Zn0.58Sn0.39S2.80, 04-024-9292, tetragonal, I-4 (82), 5.434/10.835 1%, ZnS, 04-012-8144, hexagonal, P63mc (186)  
SLG\CTS\ZnS-150, tin + sulfur 30 98%, Cu2ZnSnS4, 04-015-0223, tetragonal, I-42m (121), 5.428/10.864 1%, ZnS, 04-012-8144, hexagonal, P63mc (186) 1%, SnS2, 00–021-1231, hexagonal, P63mc (186)
45 98%, Cu2ZnSnS4, 01-083-4818, tetragonal, I-42m (121), 5.435/10.846 1%, ZnS, 04-012-8144, hexagonal, P63mc (186) 1%, SnS2, 00–021-1231, hexagonal, P63mc (186)
60 98%, Cu2ZnSnS4, 04-015-0223, tetragonal, I-42m (121), 5.428/10.864 1%, ZnS, 04-012-8144, hexagonal, P63mc (186) 1%, SnS2, 00–021-1231, hexagonal, P63mc (186)
SLG\CTS\ZnS-200, tin + sulfur 30 96%, Cu2ZnSnS4, 04-015-0223, tetragonal, I-42m (121), 5.428/10.864 2%, ZnS, 04-012-8144, hexagonal, P63mc (186) 2%, SnS2, 00–021-1231, hexagonal, P63mc (186)
45 97%, Cu2ZnSnS4, 04-015-0223, tetragonal, I-42m (121), 5.428/10.864 1.5%, ZnS, 04-012-8144, hexagonal, P63mc (186) 1.5%, SnS2, 00–021-1231, hexagonal, P63mc (186)
60 95%, Cu2ZnSnS4, 04-015-0223, tetragonal, I-42m (121), 5.428/10.864 2.5%, ZnS, 04-012-8144, hexagonal, P63mc (186) 2.5%, SnS2, 00–021-1231, hexagonal, P63mc (186)