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Scientific Reports volume 15, Article number: 20020 (2025)
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The quest for high-efficiency solar cells has led to significant research into lead-free perovskite materials, particularly tin-based perovskites. This study investigates the photovoltaic properties of various compositions of FASn(I1 − xBrx)3 perovskites for potential application in solar cells. Computational simulations explore the influence of absorber layer thickness and bulk defect density on the performance of lead-free single-junction perovskite solar cells. Additionally, a two-terminal monolithic tandem solar cell configuration comprising FASn(I0.75Br0.25)3 for the top cell and silicon for the bottom cell is proposed and analyzed. The proposed tandem device, with a 1.66 eV perovskite top cell and a 1.12 eV c-Si-based heterojunction, achieved a maximum power conversion efficiency (PCE) of 33.39%, an open circuit voltage (VOC) of 2.04 V, a short-circuit current density (JSC) of 21.14 mA/cm2, and a fill factor (FF) of 77.26%. For comparison, the perovskite top cell alone achieved a VOC of 1.36 V, JSC of 20.44 mA/cm2, FF of 75.51%, and PCE of 21.07%. The bottom cell under AM 1.5G illumination exhibited a VOC of 0.68 V, JSC of 40.36 mA/cm2, FF of 80.18%, and PCE of 22.05%. Under a filtered spectrum, the bottom cell produced a VOC of 0.67 V, JSC of 30.46 mA/cm2, FF of 79.13%, and PCE of 16.33%. This performance comparison highlights the enhanced efficiency, voltage, and overall stability provided by the tandem structure over individual cells. This examination encompassed the variation of absorber layer thickness, J-V curves under illumination, quantum efficiency, energy band diagrams, filtered spectra, and tandem photovoltaic parameters governing the conversion efficiency. The study demonstrates the potential of lead-free perovskite/silicon tandem devices, showcasing their promise for the future development of high-efficiency and stable solar cells.
Conventional fossil fuels have been replaced with pollution-free, renewable solar cells, and scientists have focused on enhancing the power conversion efficiency (PCE) of these cells1,2,3,4. Perovskite solar cells (PSCs), with their tunable bandgap, substantial carrier diffusion length, appropriate charge mobility, and minimal exciton binding energy, have garnered significant attention in response to the growing demand for high-PCE solar cells5,6,7,8,9. The chemical description for metal halide perovskites is ABX3, where A represents an organic or inorganic cation, B represents a metal cation, and X represents a halogen anion. The halogen anions can accommodate single or mixed compositions of I, Br, and Cl, while the cations can accept inorganic or hybrid (organic-inorganic) compositions of formamidinium (FA), methylammonium (MA), and cesium (Cs)10,11.
Hybrid lead halide (CH3NH3PbI3) perovskites are commonly used to manufacture PSCs for optoelectronic and electrical applications12. The fundamental structure of a photovoltaic cell comprises the absorber layer, charge transport layers and metal contacts13. The PCEs for lead-free PSCs on a tandem-based structure have improved from 3.8 to 26% within only a decade14. This is specially promising as recent research in photovoltaics (PV) technology indicates that lead-based high-efficiency PSCs could have implementation drawbacks. Firstly, the poisonous nature of Pb-based PSCs (such as FAPbI3 and MAPbI3) could negatively impact human health, animal life, and plant ecosystems15. Secondly, Pb-based PSCs exhibit instability due to environmental variables such as oxygen and moisture exposure, heat stress, mechanical stiffness, and other related factors12. Given these limitations, researchers in PV technology are actively seeking new PSCs that are stable, non-toxic, and environmentally friendly16,17.
Because of the beneficial characteristics of PSCs, Sn-based perovskites stand as potential in the research and development of Pb-free, high-efficiency PSCs. Sn-based perovskite absorbers, with their enhanced photoelectric characteristics comparable to lead, but non-toxic, have demonstrated improved PSC performance in recent years18. Sn-based perovskites exhibit smaller bandgaps (1.2 − 1.4 eV) and higher carrier mobility compared to lead-based counterparts19. However, Sn2+ is prone to oxidation to Sn4+, significantly reducing its performance as a solar absorber20. The literature extensively explores three primary tin-based absorber layers for perovskites: MASn(I, Br)3, FASn(I, Br)3, and CsSn(I, Br)3. However, there remains a research gap regarding the modulation of their band gaps through variations in indium (I) and bromine (Br) concentrations, warranting further investigation10. MASnI3 has a bandgap of ~ 1.1 eV, a higher coefficient of absorption (1.82 × 104 cm− 1), and increased charge mobility in the range of 102 −103 cm2V− 1s− 118,21. CsSnI3 exhibits a 1.3 eV bandgap, charge carrier mobility 5–16 cm2V− 1s− 1, and optical absorption coefficient of 104 cm− 122,23.The charge-carrier mobility of FASnI3 is 22 cm2V− 1s− 1, with a bandgap of 1.41 eV24. Additionally, the bandgaps of FASnX3 can be adjusted by replacing the halide atoms. Using such strategies a 1.68 eV can be achieved on FASnI2Br, and 2.4 eV for FASnBr325.
Significant advancements in Sn-based PV technology have recently occurred due to the remarkable properties of XSn(I-Br)3 perovskites. FASnI3, CsSnI3, and MASnI3 have been extensively explored in recent years, leading to potential advancements26. Furthermore, recent simulation research has demonstrated that the PCE of a solar device based on FASnI3 can achieve 14.03%27. Conversely, an experimentally confirmed maximum efficiency of 11.4% has been achieved using Sn-based perovskite solar cells28. Using the SCAPS simulation and modelling package, single junction CsSn(I1 − xBrx)3, MASn(I1 − xBrx)3, and FASn(I1 − xBrx)3 devices with suitable electron and hole transport layers numerically simulated for their photovoltaic properties29. Seon Joo Lee et al. experimentally reported that the carrier density of perovskite was reduced by adding bromide into formamidinium tin oxide (FASnI3). Mesoporous TiO2 is utilized as the electron transport layer (ETL) to improve the values of Voc and FF, decrease the leakage current in devices, and increase the recombination rate30. Weijun Ke et al. achieved a Jsc of 23.09 mA/cm2, a high Voc of 0.380 V, a FF of 60.01%, and a PCE of 5.27% when using TiO2-ZnS as ETL in FASnI3 PSCs. This improvement is primarily attributed to the ZnS interface layer enhancing electron transport and reducing interfacial recombination31. Rasmiah et al. theoretically achieved a Jsc of 30.79 mA/cm2, a PCE of 30.45%, a FF of 86.56%, and a Voc of 1.143 V with the optimization of ITO/ WS2/FASnI3/MoO3/Si/Au32.
The absorber layer’s photovoltaic characteristics significantly impact perovskite solar cells’ performance. Investigations reveal that altering the halide composition can effectively regulate the optoelectronic properties of FASnI1 − xBrx. Introducing iodine/bromine (I/Br) halide leads to variations in bandgaps, resulting in values of 1.410 eV and 1.828 eV for the lower and higher ends of the bandgaps. Specifically, the bandgaps for FASnI3, FASn(I0.75Br0.25)3, FASn(I0.5Br0.5)3, and FASn(I0.25Br0.75)3 are measured at 1.410 eV, 1.661 eV, 1.739 eV, and 1.828 eV respectively33. This opens up opportunities for the construction of tandem solar cells. In this work, performance analysis is conducted via numerical simulations to tailor the halide composition, aiming to unlock the efficiency potential of FASn(I1 − xBrx)3-based perovskite solar cells33. Furthermore, concerns regarding health and environmental risks associated with conventional lead-based tandem solar cells can be limited their widespread adoption in the photovoltaic industry. Hence, a lead-free alternative featuring FASn(I0.75Br0.25)3 coupled with silicon in a two-terminal tandem solar cell is proposed as a promising high-efficiency solution.
The suggested perovskite solar cells comprise a combination of absorber layers, a hole transport layer (HTL), an electron transport layer (ETL), an indium-doped tin oxide layer (ITO), and a metal back contact (Au), as illustrated in Fig. 1. The specific materials utilized for these layers are FASn(I1 − xBrx)3, MoO3, TiO2, ITO, and Au, respectively. Details regarding each layer’s electrical properties are provided in Table 1.
For the simulations of the top cell, Fig. 2a illustrates the energy band diagrams for each layer. These diagrams depict the energy band gap and electron affinity of the perovskite layer, with the Br quantity varying, determined through first principle calculations33. Meanwhile, Fig. 2b displays the absorption coefficient of each layer across various halide compositions. The suggested solar cell has been simulated and modelled using SCAPS-1D simulation software, employing Poisson’s and carrier continuity equations34.
Perovskite solar cells including FASnI3, FASn(I0.75Br0.25)3, FASn(I0.5Br0.5)3, and FASn(I0.25Br0.75)3, have been simulated under AM1.5G spectrum at 300 K temperature. Additionally, optimization has been performed to adjust the defect density and thickness of the selected perovskite solar cells in the tandem solar cell. The optimization of defect density and thickness of perovskite layer in tandem structure has reduced the charge recombination rate and maximum light absorption.
The structure of the tandem device’s sub-cells involves using various material layers as follows. A bottom silicon heterojunction cell is adopted, consisting of an intrinsic (i-type) layer and a layer of p-type amorphous silicon (a-Si) deposited on top of n-type crystalline silicon (c-Si). Additionally, i-type and n-type a-Si layers are grown on the other side of the n-Si to create a back surface field, which helps reduce recombination effects. This structure resembles the one utilized in36. The top cell consists of a FASn(I1-xBrx)3 absorber layer situated between MoO3 and TiO2, serving as HTL and ETL respectively. FTO serves as the transparent conducting layer for the front contact of TCO, while ITO acts as an interconnection layer of TCO between the top and bottom cells. For the bottom cell, Al serves as the back contact. The arrangement of the standalone top and bottom cells, along with their respective spectra, as well as the entire tandem structure, is illustrated in Fig. 1.
Shows that FASn(I1 − xBrx)3-based PSC with various I/Br compositions and FASn(I0.75Br0.25)3 used as absorber layer for top cell and Si used as absorber layer for bottom cell for the tandem configuration.
In our investigation of the tandem device, we have presumed that the connection between the top and bottom cells is facilitated by an ideal interconnecting layer composed of ITO, designed to minimize optical and electrical losses36. The top cell receives irradiation from the AM1.5 g solar spectrum, while the bottom Si-based sub-cell is exposed to a filtered spectrum transmitted from the top cell37. The filtered spectrum is required for establishing the correct current matching condition and is employed in our simulation of the FASn(I1-xBrx)3/Si tandem device.
(a) Energy band alignment and (b) absorption coefficient for all layers with various halide compositions.
The thickness and quality of the absorber layer play pivotal roles in determining the overall performance of the photovoltaic (PV) device. Achieving a lower defect density and higher absorption coefficient within the absorber layer is crucial for generating electron-hole pairs and facilitating their subsequent collection in the output circuit. Hence, this study delves into the impact of bulk defect modification and absorber layer thickness, with the findings summarized in Sect. 3.1 and 3.2. Furthermore, this research explores the potential replacement of traditional Pb-based perovskites, for tandem solar cells. Tandem cells incorporating a lead-free perovskite top cell and a silicon bottom cell, offer a potential solution to energy losses arising from thermalization and transparent energy bandgap losses in single-junction solar cell devices. Detailed results pertaining to tandem solar cells are presented in the final section, Sect. 3.3.
The energy band diagram of the PSCs at the equilibrium state is illustrated in Fig. 3, elucidating the carrier dynamics within the device for various absorber layers, including FASnI3, FASn(I0.75Br0.25)3, FASn(I0.5Br0.5)3, and FASn(I0.25Br0.75)3. An essential aspect influencing the device’s overall performance is the alignment of energy bands between the absorber and charge transport layers38. Optimal alignment of conduction and valence bands at the interfaces between these layers is crucial for efficient charge carrier separation and collection. Deviations from this alignment can lead to increased interface resistance and excessive carrier recombination. Figure 3 presents an energy band diagram of the investigated PSCs with varying bromide compositions. It is noted that as the bromide composition increases, the offset between the absorber layer and the hole and electron transport layers also increases39.
The energy band diagram of Sn-based perovskite single junction cells with various halide compositions for all layers, under equilibrium conditions. Subsequently, a detailed investigation is presented into the influence of absorber layer thickness on the four devices’ photovoltaic (PV) performance. Figures 4(a–d) depict the PV performance of the devices at different absorber layer thicknesses, as measured by external quantum efficiency (EQE) and integrated short-circuit current density (JSC). The results indicate a linear increase in photon absorption and EQE with increasing absorber layer thickness, leading to enhanced charge carrier production within the cells.
In FASnI3-based PSCs, EQE substantially increases from 44.33 to 99% at a wavelength of 400 nm as the thickness increases from 50 to 500 nm (Fig. 4a). Moreover, the integrated JSC improves from 8.32 to 28.52 mA/cm2 within the same thickness range. Similar trends are observed for other lead-free PSCs, such as FASn(I0.75Br0.25)3 and FASn(I0.5Br0.5)3, as shown in Figs. 4(b-d). However, it is noted that the presence of a larger band gap and higher bromide concentration in FASn(I0.75Br0.25)3 results in lower integrated JSC values compared to FASnI3-based PSCs. This trend is further observed in the thickness-dependent variations of JSC and EQE for all investigated PSCs. Further analysis is conducted on the impact of varying lead-free perovskite thickness on the J-V curve of the PSCs (Figure S1 a-d). It is observed that increasing the thickness of the active layer leads to a significant rise in current density for all simulated devices, attributed to the increased optical absorption rate and enhanced exciton production.
Notably, FASnI3-based PSCs exhibit much high charge carriers in the absorber layer due to their narrower bandgap, resulting in the highest JSC values among the investigated materials. Additionally, Fig. 5 (a − d) presents PV characteristics, including JSC, open-circuit voltage (VOC), fill factor (FF), and power conversion efficiency (PCE), for various perovskite thickness values. The maximum performance of the all the device configuration with different composition was achieved at the 500 nm thickness of the absorber layer. It is evident that thicker perovskite layers result in higher JSC and PCE values, particularly for materials like FASnI3. However, it is noted that materials with broader bandgaps, such as FASn(I0.25Br0.75)3, exhibit lower current densities due to extensive charge carrier recombination. This occurs because wider bandgap materials absorb fewer low-energy photons, reducing photogenerated carrier density. Additionally, bromine incorporation increases defect states within the perovskite structure, promoting non-radiative recombination and further lowering Jsc. The higher energy carriers in these materials also experience faster energy loss through phonon interactions, contributing to the overall reduction in current density. For instance, the Jsc of FASn(I0.25Br0.75)3 is measured at 18.92 mA/cm2, significantly lower than the 24.19 mA/cm2 observed for FASnI3, reflecting the impact of increased recombination and reduced absorption range.
In conclusion, lead-free perovskite solar cells based on FASnI3, FASn(I0.75Br0.25)3, FASn(I0.5Br0.5)3, and FASn(I0.25Br0.75)3 achieve maximum power conversion efficiencies of 20.79%, 21.07%, 19.33%, and 17.31%, respectively at the 500 nm thickness of the perovskite layer, with fixed electron and hole capture cross-sections.
The EQE and integrated Jsc of (a) FASnI3, (b) FASn(I0.75Br0.25)3, (c) FASn(I0.5Br0.5)3, and (d) FASn(I0.25Br0.75)3 for all range of thickness is (50–500 nm).
Effect of thickness variation (50–500 nm) on the photovoltaic parameters of the PSCs (a) FASnI3, (b) FASn(I0.75Br0.25)3, (c) FASn(I0.5Br0.5)3 and (d) FASn(I0.25Br0.75)3.
In the preceding section, the impact of absorber layer thickness was assessed under the assumption of a fixed bulk defect density. However, actual PSC devices often exhibit varying bulk defect densities due to differences in fabrication processes40. Techniques such as compositional engineering and defect passivation can be employed to mitigate these defects41. Varying defect densities result in differences in carrier lifetimes and diffusion lengths, thereby affecting device performance. Excessive carrier recombination may occur with thicker absorber layers, while increased defect densities can decrease diffusion length. Consequently, the necessity of examining the combined effects of thickness and bulk defect density has been acknowledged, leading to results that consider this interaction.
In the subsequent analysis, the effect of bulk defect density at various thicknesses is investigated for all lead-free perovskite devices considered, including FASnI3, FASn(I0.75Br0.25)3, FASn(I0.5Br0.5)3, and FASn(I0.25Br0.75)3. The findings are presented in Figures S2-S4.
Figure 6 (a–d) illustrates the influence of specifically structured PSCs with varying thicknesses and defect densities on the PCE for different halide-based perovskites. Notably, PCE is impacted by JSC, VOC, and FF collectively. FASn(I0.75Br0.25)3 exhibits the highest efficiency among the considered materials, indicating its potential for future PSC development. Despite having a lower band gap than I-doped perovskites, pure FASnI3 PSCs achieve the lowest PCE at 500 nm thickness and 1 × 1016 bulk defect density (cm− 3).
For completeness, Supplementary Materials Figure S2 (a–d) illustrates a contour plot depicting the influence of defect density and thickness on the JSC for each PSC composition analysed. It is observed that the JSC of the cells increases with greater active material thickness across all Pb-free PSCs under a fixed defect density. Specifically, the JSC rises substantially from 7.10 to 27.10 mA/cm2 as defect density increases from 1 × 1012 to 1 × 1017 cm− 3, and thickness increases from 100 to 500 nm. Both defect density and thickness significantly impact JSC, emphasizing the importance of minimizing defect density in the absorber layer for optimal performance42. Notably, materials doped with Br, such as FASn(I0.75Br0.25)3, FASn(I0.5Br0.5)3, and FASn(I0.25Br0.75)3, exhibit lower JSC values compared to pure FASnI3 at optimal thickness and defect density.
Figures S3 (a–d) demonstrate the effects of defect density and thickness on the VOC for the aforementioned PSC devices. As the thickness and defect density of perovskite materials improve, the VOC of lead-free PSCs decreases. For instance, the VOC decreases from 1.04 to 0.75 V for FASnI3-based devices with a 500 nm thick absorber layer as defect density increases from 1 × 1012 to 1 × 1017 cm− 3. Br-doped materials exhibit higher VOC values due to their high bandgap.
The impact of lead-free halide-based perovskite layers on the FF is presented in Figures S4 (a–d). For all PSCs, FF remains constant as thickness increases for materials with low bulk defect density. Conversely, with highly defective perovskite, FF decreases as absorber layer thickness increases. At lower defect densities, increasing thickness minimally affects FF, whereas at higher defect densities, FF decreases substantially. Quantitatively, FF declines for FASnI3, FASn(I0.75Br0.25)3, FASn(I0.5Br0.5)3, and FASn(I0.25Br0.75)3 as thickness increases from 100 to 500 nm at a defect density of 1 × 1017 cm− 3.
Effect of thickness (100–500 nm) as well as bulk defects (1 × 1012−1 × 1017 cm− 3) on PCE for various halide compositions. (a) FASnI3, (b) FASn(I0.75Br0.25)3, (c) FASn(I0.5Br0.5)3 and (d) FASn(I0.25Br0.75)3.
We assembled a two-terminal monolithic tandem solar cell by integrating Si for the bottom cell and FASn(I0.75Br0.25)3 for the top cell, considering their respective bandgaps of 1.12 eV and 1.661 eV. The simulation strategy for constructing a tandem solar cell is described in Sect. 2. The top cell is illuminated by the global AM1.5 spectrum, while the transmitted filtered spectrum from the top cell serves as the illumination for the bottom cell. However, in calculating the filtered spectrum, the effects of thin-film interference and interface reflections were not considered, resulting in higher predicted conversion efficiencies37,43,44. It is crucial to consider these phenomena for future more accurate tandem solar cell simulations.
The energy band diagram of the top and bottom devices is depicted in Fig. 7 (a & b). On the x-axis, values corresponding to the positions of the top and bottom cells are indicated below and above the zero values. As the construction of the 2-T tandem solar cell resembles two diodes connected in series, the open circuit voltage of the tandem cell equals the algebraic sum of the VOC provided by each cell separately in its standalone condition. A current matching and tunnelling recombination junction ensure equal current flow between this arrangement’s top and bottom sub-cells. The ITO serves as interconnecting layer between the top and bottom sub-cells and is positioned at zero on the x-axis.
Figure 8 illustrates the illuminated J-V curves with the ideal thickness of the n-c-Si (150 μm)-based bottom cell and the FASn(I0.75Br0.25)3 (500 nm)-based top cell. Table 2 provides the PV parameters for all four devices considered. This section focuses on the study of the lead-free 2T monolithic tandem solar cell based on FASn(I0.75Br0.25)3-Si, achieving an efficiency of 33.39%.
Energy band diagrams for perovskite FASn(I0.75Br0.25)3−Si-based 2T monolithic tandem solar cell in equilibrium.
JV curve of tandem configuration, top cell as well as bottom cell.
In summary, this study optimized of the best composition of FASn(I075Br0.25)3 with optimum thickness of 500 nm and defect density of 1012 cm− 3 significant insights into the photovoltaic performance of these materials was gained. The investigation reveals that thicker absorber layers with wide band gap led to enhanced photon absorption and improved charge carrier production, while optimal defect densities are crucial for minimizing carrier recombination and maximizing device efficiency. The maximum performance of the top cell was achieved up to 21.07%. Moreover, the proposed two-terminal monolithic tandem solar cell configuration exhibits impressive efficiency, highlighting the potential of Sn based perovskite materials for future solar energy applications. The highest performance of the with wide band gap perovskite FASn(I075Br0.25)3/Si tandem structure was optimized 33.39%.
However, the optimized structure also presents minor drawbacks. The wider band gap of FASn(I075Br0.25)3 leads to a slight reduction in Jsc due to limited absorption of lower-energy photons. Additionally, bromine incorporation increases defect density, contributing to moderate recombination losses. While these factors affect current output, the significant gain in Voc and overall efficiency outweighs these limitations, positioning this structure as a promising candidate for high-performance tandem solar cells.
All data generated or analysed during this study are included in this published article [and its supplementary information files].
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The authors would like to acknowledge the British Council for their funding under PAK-UK ICRG 2020 project (006327/D/ISB/008/2021) to create a research group of students and establishment of “Semiconductor Physics and Renewable Energy Laboratory” (SPREL) at Government College University Faisalabad Pakistan. The authors would like to thank Princess Nourah bint Abdulrahman University Researchers Supporting Project number (PNURSP2025R316), Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia.
The British Council for their funding under PAK-UK ICRG 2020 project (006327/D/ISB/008/2021).
Department of Physics, Government College University Faisalabad, Faisalabad, Punjab, 38000, Pakistan
Sofia Tahir, Shammas Mushtaq, Javed Iqbal & Arslan Ashfaq
Department of Materials, University of Oxford, Oxford, UK
James McQueen & Ruy Sebastian Bonilla
Department of Chemistry, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, 11671, Riyadh, Saudi Arabia
Rasmiah S. Almufarij
Department of Physics, Faculty of Science, Al-Baha University, 65779-7738, Alaqiq, Saudi Arabia
Rania Saleh Alqurashi
Department of Physics, Emerson University Multan, Multan, 60000, Pakistan
Arslan Ashfaq
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Sofia Tahir: Supervision, Writing-Review & Editing, Shammas Mushtaq: Software, James McQueen: Writing-Review & Editing, Javaid Iqbal: Visualization, Rasmiah S. Almufarij: Formal Analysis, Rania Saleh Alqurashi: Investigation, Conceptualization, Ruy Sebastian Bonilla: Writing-Review & Editing, Arslan Ashfaq: Writing-Original Draft, Conceptualization.
Correspondence to Sofia Tahir or Arslan Ashfaq.
The authors declare no competing interests.
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Tahir, S., Mushtaq, S., McQueen, J. et al. Computational insights into wide bandgap lead free perovskite solar cells for silicon based tandem configurations. Sci Rep 15, 20020 (2025). https://doi.org/10.1038/s41598-025-04637-6
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DOI: https://doi.org/10.1038/s41598-025-04637-6
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