Numerical Assessment of CsXY3 (X = Ge, Sn; Y = Cl, Br, I) Perovskites Unified with NiO and Zn(O0.25S0.75) for Solar Cell Applications

Abstract

Future energy harvesting systems need a sustainable perovskite solar cell having low cost and good power conversion efficiency (PCE). Herein, the perovskite CsXY3 (X = Ge, Sn; Y = Cl, Br, I) absorber layer, nickel oxide (NiO) hole-transport layer, and zinc oxysulfide (ZnO0.25S0.75) electron-transport layer-based solar cell devices are investigated using SCAPS-1D numerical simulations. The CsXY3 solar cell devices performance is assessed by estimating the effects of ample parameters, such as thickness, doping concentration, bulk defects, thickness, and defects at NiO/CsXY3 and CsXY3/Zn(O0.25S0.75) interfaces. The Au/NiO/γ-CsSnI3/Zn(O0.25S0.75)/FTO device structure shows a low open-circuit voltage (VOC) ≈1.0580 V, high fill factor ≈88.14%, excellent PCE ≈31.40%, and reasonable short-circuit current density (JSC) ≈33.68 mA.cm−2. Further, the impact of series/shunt resistances and temperature discloses upright reliability of the Au/NiO/γ-CsSnI3/Zn(O0.25S0.75)/FTO device structure suitable for cost-effective solar cell device applications.