Boosting the Power Conversion efficiency of CsPb0.75Sn0.25IBr2 Alloy-based Perovskite Solar Cell with Charge Transport Layer Mg:SnO2: A Theoretical Study

Abstract

The perovskite-based photovoltaic cells are the best way to convert photon radiation into electrical energy. The fundamental focus of this work is to stimulate and boost the power conversion efficiency (PCE) of an alloy-based CsPb0.75Sn0.25IBr2 perovskite solar cell. The simulation was run on SCAPS-1D cell simulator software (ver. 3.3.09). In this current work, a perovskite CsPb0.75Sn0.25IBr2 with the suitable composition of ions coupled with Tin-based electron transport layers (ETLs)-SnO2 and Mg:SnO2. The thickness and defect density of absorber layer-CsPb0.75Sn0.25IBr2 has been optimized. The impact of the thickness variation of ETL-SnO2 and Mg:SnO2 on device performances was also studied. The effect of working temperature, rate of charge carrier generation, and recombination on photovoltaic outputs like open-circuit voltage (Voc), short-circuit current (Jsc), fill factor (FF), and PCE has been studied and analyzed. The simulated cell achieved an efficiency of 13.82% under optimum conditions. The optimized efficiency was comparatively higher than the experimental efficiency of 11.85%. This study demonstrates the role of optimization of various properties of different layers of solar cells.

First‐Principle Density Functional Theory‐Derived Nonleaded KSn1−xGexI3‐Based Perovskite Solar Cells: A Theoretical Study

“…[ 96 ] Lowering the defect density decreases the surface roughness and improves the perovskite film quality in PSCs, [ 51 ] which facilitates an excellent interface at ETL/perovskite and perovskite/HTL and results in a higher FF of 58.59%. [ 58 ] The current density V s voltage curve at various defect levels of the perovskite is depicted in Figure 8b. The enhancement in current density V s voltage curve is observed at lower defect levels due to improvement in the cell's performance.…”

“…Additionally, the DFT evaluated KSnI 3 , KSn 0.5 Ge 0.5 I 3 , and KGeI 3 band maxima paired with ETL‐SnO 2 and HTL‐Spiro‐OMeTAD. The literature reported SnO 2 CBM at −4.6 eV, [ 58 ] leading to 0.06, 0.08, and 0.23 eV CBO+, with KSnI 3 , KSn 0.5 Ge 0.5 I 3 , and KGeI 3 , respectively, which developed the spike structure at ETL/perovskite interface and hence SnO 2 can be utilized as an ETL layer. The spike structure (for CBO > 0) reduces the electron recombinations between ETL and perovskite, which improves the overall PV performance of the device.…”

“…A summary of the input PV parameters of the structural materials: ETL, HTL, perovskite, and FTO. [10,58,95] Properties FTO SnO 2 KSnI 3 KSn 0.5 Ge 0.5 I 3…”

“…The configuration of the cells is FTO/SnO 2 /KSnI 3 / Spiro-OMeTAD/Au, FTO/SnO 2 /KSn 0.5 Ge 0.5 I 3 /Spiro-OMeTAD/ Au, and FTO/SnO 2 /KGeI 3 /Spiro-OMeTAD/Au. Table 2 [10,58,95] encloses the PV characteristics of ETL, HTL, and perovskites, employed in device simulation. The first cell with 100% Sn (x = 0), FTO/SnO 2 /KSnI 3 /Spiro-OMeTAD/Au, demonstrated an efficiency of 8.23%.…”