Computational analysis to study the effect of selenization on ZrS 2 /CZTS heterostructure performance

Abstract Solar Cell Capacitance Simulator(SCAPS) program has been used to study JV characteristics and spectral response of ZrS 2 /CZTSSe heterostructure. The proposed cell performance has also been compared with ZrS 2 /CZTS and ZrS 2 /CZTSe junctions. In the present study, performance parameters have been calculated by varying Se concentration with an exponential grading law in SCAPS for ZrS 2 /CZTSSe heterostructure. CZTSSe bandgap can be easily tuned by varying the Se and S content. Optimized composition ratio of S/(S + Se) presented an efficiency of 16.50% and the simulated results have been interpreted for higher content ratio of 0.44. At this composition, short circuit current density, open circuit voltage and fill factor attained were 35.54 mA cm −2 , 0.6342 V and 73.23% respectively. The influence of layer thickness, bulk defect density, electron affinity and relative permittivity on solar cell performance parameters have also been studied.