Impact of CeMgO2 ETL and BaSi2, Cr2O3, and NiO2 HTL Parameters on Enhanced CZTS Photovoltaic Cell Efficiency through Computational Methods

The hole transport layer (HTL) and electron transport layer (ETL) materials are critical in the CZTS photovoltaic (PV) cell, which provides excellent hole and electron capturing rates and a low minority carrier loss in CZTS PV cells. The high-minimization of minority carrier loss and high capture of ultraviolet (UV) photon-based ETL and HTL materials-based CZTS PV cells have been limited to development till now. Therefore, several researchers are investigating the high UV light-absorbing ETL and wide energy bandgap HTL materials for the making of efficient CZTS solar cells. In this paper, we first successfully validate the photovoltaic results of a basic CZTS cell. Further, we proposed a high-efficiency PV cell by substituting three novel wide-energy bangap HTL materials, i.e., BaSi2, NiO2, and Cr2O3, instead of the MoS2 HTL layer. Further, different analysis such as matching of energy band alignment, optimization of thickness, and doping density of each layer of CZTS/BaSi2, CZTS/NiO2, and CZTS/Cr2O3-baased PV cells, We absorb that the CZTS/BaSi2-based PV cell produces better performance in terms of VOC = 1145 mV, JSC = 28.78, FF = 86.07%, efficiency 28.35%, and EQE = 90%.