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All-inorganic cesium tin-germanium tri-iodide (CsSnGeI3) emerges as a potential light harvesting material for lead-free perovskite solar cells. The exploration of CsSnGeI3 has not yet been perceived owing to the conceivable challenges of imperfections in device fabrication, unoptimized alignment of the charge transport layers, and inappropriate device configuration. In this manuscript, we have elucidated the influence of BaSnO3 as an electron transport layer on the performance of Pb-free, all-inorganic cesium tin-germanium tri-iodide (CsSn0.5Ge0.5I3)-based perovskite solar cell using SCAPS-1D software. In our initial simulated results, the presented device achieves the best efficiency of 22.09% with JSC = 24.41 mAcm−2, VOC = 1.0655 V, and FF = 84.92%. Subsequently, we have analyzed the impact of thickness and defect density on the recombination rate of charge carriers in the Sn-Ge amalgamated perovskite absorber layer, diffusion length, and other performance parameters. From these results, we have optimized the suitable value of thickness (900 nm) and defect density (Nt ≈ 1×1011 cm−3) of Sn-Ge combination perovskite layer for efficient PVSCs devices. Furthermore, we have optimized the thickness, electron affinity, and carrier concentration of charge transport layers, and their optimized values have been obtained for the design of efficient device. Using the optimized values, proposed device yields the high performance in terms of best power conversion efficiency of 28.21% with JSC = 27.18 mAcm−2, VOC = 1.2427 V, and FF = 83.50%, without any hysteresis loss. Thus, this extensive simulation approach paves a formative research route for the practical fabrication of efficient Pb-free CsSnGeI3 perovskite-based solar cells. [ABSTRACT FROM AUTHOR]

Organic–inorganic lead halides perovskite solar cells have undergone tremendous growth over the last decade and have achieved power conversion efficiency of 25.2%. However, lead toxicity has remained a key concern which is a major obstacle in their commercialisation. Cesium Germanium halide perovskites have proven to be an excellent alternative to lead perovskites as they exhibit higher optical absorbance and optical conductivity. In the present work, we have explored various charge transport layers (ETL and HTL) and their influence on the performance of CsGeI 3 based PSCs using SCAPS-1D simulation software. It is found that when ZnOS and CuI are employed as ETL and HTL respectively in CsGeI 3 based PSCs, the performance of the resultant PSC gets enhanced. Further, optimizations in terms of Perovskite layer thickness, defect density, thickness and electron affinity of ZnOS ETL has also been carried out. The effect of different metal electrodes, series and shunt resistances on the performance of the CsGeI 3 based PSCs have also been studied. Finally, we have implemented all the optimum parameters in the proposed device structure (FTO/ZnOS/CsGeI 3 /CuI/Au) and observed a remarkable improvement in the performance parameters with V OC = 1.1432 V, J SC = 23.13 mAcm−2, FF = 87.33% and PCE = 23.10%. This optimization of CsGeI 3 based PSC would aid researchers in the experimental implementation of efficient lead-free all inorganic CsGeI 3 based perovskite solar cells. [Display omitted] • Drift- Diffusion SCAPS-1D simulation of CsGeI 3 -based perovskite solar cell was performed. • ZnOS (ETL) and CuI (HTL) were found suitable interfacial materials to achieve high efficiency. • The optimum device configuration for high efficiency is FTO/ZnOS/CsGeI 3 /CuI/Au. • The best PCE achieved with optimum parameters is 23.10%. [ABSTRACT FROM AUTHOR]

Zinc oxy-sulphide (ZnO 1-x S x) has proven to be the most promising material for electron transport layer (ETL) as a replacement of CdS in thin film and perovskite solar cells due to its ability to tune the bandgap energy (2.7–3.8 eV). FASnI 3 (CH 4 N 2 SnI 3) based perovskite solar cells are found to be more efficient and stable than their MASnI 3 counterparts because of its wider bandgap (1.41 eV) and better temperature stability. In this paper, FASnI 3 based perovskite solar cell employing zinc oxy-sulphide (Zn (O 0.3 , S 0.7)) as ETL and copper thiocyanate (CuSCN) as HTL is presented. The proposed structure FTO/Zn(O 0.3 , S 0.7)/FASnI 3 /CuSCN/Au has been simulated using SCAPS-1D software. The parameters from various experimental and theoretical reported works were used to simulate the proposed solar cell and it resulted in 14.46% of power conversion efficiency (PCE). In order to investigate the impact of active layer on the performance of the proposed device, the parameters of active layer like thickness and defect density have been varied. Furthermore, parameters such as electron affinity, doping density and thickness of ETL and HTL respectively have also been varied to examine their influence on the output device parameters and optimized results deduced accordingly. Finally, the device simulation with the optimized parameters has resulted in improved output parameters with V OC of 1.0859 V, J SC of 28.12 mAcm−2, FF of 84.96% and PCE of 25.94%, thus, paving the way for novel perovskite solar cells employing tin which are environmentally safe being lead free and have efficiency comparable tothe lead based counterparts. [Display omitted] • FASnI 3 based lead free PSC with Zn (O 0.3 , S 0.7) as an ETL in n-i-p configuration is presented. • The effect of Zn (O 0.3 , S 0.7) ETL on PSC performance by SCAPS-1D simulation is investigated. • Variation in electron affinity, CBO, doping density and thickness of Zn (O 0.3 , S 0.7) on the performance of PSC is analysed. • Conclusive PSC Parameters thus obtained are: V OC -1.0859 V, J SC -28.12 mAcm−2, FF-84.96% and PCE-25.94%. [ABSTRACT FROM AUTHOR]