Optimization of Perovskite-KSnI₃ Solar Cell by Using Different Hole and Electron Transport Layers: A Numerical SCAPS-1D Simulation

Abstract

Perovskite solar cell (PSC) technology is extensively used in commercial sectors, but concerns about the use of lead and degradable components in cells are increasing. A PSC, which is based on lead-free KSnI3, is illustrated through the SCAPS-1D simulation. In this work, different hole transport layers (HTLs; spiro-OMeTAD, Cu2O, NiO, and CuI) and electron transport layers (ETLs; TiO2, CdS, WS2, and ZnO) were simulated with the proposed device configuration and highest power conversion efficiency (PCE). By optimizing thickness variation, doping density, defect density, and back contact, we obtained the highest PCE = 20.99%, FF = 85.24%, J sc = 17.063924 mA/cm2, and V oc = 1.4434 V. These values were higher than those in a previous study on a KSnI3-based PSC with phthalocyanine-based CTLs having PCE = 11.91% and on a TiO2, spiro-OMeTAD-based PSC with PCE = 9.776%. To achieve the final optimization result of PCE = 20.99%, we used CuI as the HTL, ZnO as the ETL, and KSnI3 as the absorber layer. The FTO/ZnO/KSnI3/CuI/Au device structure provides an efficient and reliable solution for realizing remarkable efficiency in PSCs.

SCAPS-1D Simulation for Device Optimization to Improve Efficiency in Lead-Free CsSnI3 Perovskite Solar Cells

“…Ultimately, the lowest efficiency of 19.24% was observed at the maximum value of 10 18 cm −3 . This was attributed to a degradation in film quality due to the surge in defect density, leading to an accelerated recombination rate and shortened carrier lifetime, and consequently leading to decreased efficiency [82,83]. Based on these results, the optimal defect density was adjusted to the conventional value of 10 14 cm −3 , thereby maintaining the original efficiency of 22.76%.…”

Inorganic charge transport layer for efficient Pb-free KSnI3 based perovskite solar cells: a theoretical study

“…A drop in PCE is observed as the interfacial defect density increases from 10°cm −3 to 10 16 cm −3 . This can be attributed to increased recombination, reduced charge transport, and the fact that the high defect densities can degrade the structural and electronic properties of the interface materials, thus impacting the overall device performance [12,15,71]. Figures 3(e), (f) shows the variation of photovoltaic parameters with KSnI 3 /Cu 2 O interface defect density.…”

“…The maximum PCE of 14.63% is attained using Sn-based PSC [10]. Recently, a number of studies reported KSnI 3 as a potential candidate for absorber layers due to less toxicity and sustainability [11][12][13][14][15]. However, their stability and performance should be addressed for their use in PSCs.…”