Unraveling high-efficiency lead-free perovskite solar cells using a CsSnGeI – Nature

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Scientific Reports volume 15, Article number: 42865 (2025)
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This study examines the efficiency enhancement of lead-free perovskite solar cells using a dual absorber layer design. Through Solar Cell Capacitance Simulator in One Dimension (SCAPS-1D), the performance of a CsSnGeI3/CsGeI3 heterojunction with a Cu2O hole transport layer under AM1.5G illumination is evaluated. Key factors analyzed include absorber layer thickness, doping concentration, defect density, temperature, series resistance, and shunt resistance. The results reveal that the dual absorber design with the structure FTO/SnS2/ CsGeI3/CsSnGeI3/Cu2O/Au significantly improves the power conversion efficiency to 34.18%, achieving a short-circuit current density of 32.67 mA/cm2, open-circuit voltage of 1.25 V, and fill factor of 83.64%. Each absorber layer is optimized to a thickness of 0.8 μm, leading to superior performance compared to single-layer perovskite solar cells (PSCs). The optimal doping concentrations are approximately 1 × 10¹⁷ cm⁻³ for CsGeI₃ and 1 × 10¹⁶ cm⁻³ for CsSnGeI₃, while the defect densities are minimized to about 1 × 10¹² cm⁻³ for both layers. Furthermore, maximum efficiency is achieved by optimizing additional key parameters, including an operating temperature of 300 K, and a series resistance of 0 Ωcm². This improvement stems from a broader absorption spectrum and enhanced charge separation facilitated by the heterojunction. The study provides critical insights into dual absorber configurations for advancing PSC photovoltaic performance.
The global reliance on fossil fuels has raised serious environmental concerns and significantly contributed to the acceleration of climate change1. To address this pressing issue, it is crucial to expand the use of clean and sustainable energy sources, such as thermoelectric power, wind energy, and photovoltaic (PV) technology, which offer environmentally friendly solutions for meeting growing energy demands2,3,4. Among these alternatives, PV technology stands out due to the widespread availability of solar radiation and its ability to convert sunlight directly into electricity in a clean and efficient manner5. Solar cells, typically composed of P-type and N-type semiconductors, enable this direct energy conversion6,7,8. Although silicon-based PV systems currently dominate the market, their cost remains a barrier to adoption in economically disadvantaged regions.
Perovskite solar cells (PSCs) represent a highly promising and innovative advancement in photovoltaic (PV) technology, distinguished by their cost-effectiveness and remarkable efficiency. Moreover, their potential for scalable production makes them an ideal solution for addressing the energy requirements of economically disadvantaged communities, enabling access to sustainable and affordable power sources9,10,11. However, a significant challenge for PSCs lies in their stability, both thermally and mechanically. Consequently, efforts have been made to enhance PSC efficiency, leading to a significant improvement from 3% in 2006 to approximately 20% by 202012,13,14,15,16. Earlier investigations have explored the use of organic materials in PSC construction, laying the groundwork for future device development. The bandgap is a critical parameter, as it defines the minimum energy required for incident photons to be absorbed17, and perovskite materials offer the unique advantage of tunable bandgaps through compositional engineering, thereby directly influencing their absorption coefficient18. Unlike silicon solar cells, perovskites are often straightforward and inexpensive to fabricate. Despite the high efficiency of the PSCs, many of them still rely on corrosive and toxic compounds like lead, methylammonium (MA) and formamidinium (FA)19,20,21,22.
The rationale behind selecting these specific structures lies in their potential to optimize photon absorption and charge transportation properties. The selection of eco-friendly materials such as CsGeI3 and CsSnGeI3 aims to cover a broader portion of the solar spectrum while maintaining favorable band configuration and effective charge separation. Recent research has explored the development of Pb-free PSCs with reduced corrosiveness and toxic elements in the absorber layer, such as Cs2GeSnCl6 23, Cs2GeSnBr6 24, CsSnI3 25, and A2NiMnO2 26. CsGeI3 and CsSnGeI3 possess several remarkable properties that make them promising candidates for lead-free perovskite absorbers. CsGeI3 offers a direct bandgap (1.363 eV), excellent thermal stability, and low toxicity, making it suitable for stable device architectures27,28,29,30,31. Similarly, CsSnGeI3, a mixed tin-germanium iodide perovskite, exhibits a tunable bandgap, high absorption coefficient, and improved defect tolerance, allowing efficient light harvesting across a broad spectrum32,33,34,35. Despite its potential, CsGeIxBr3−x perovskite material has received limited attention, even though it offers a tunable band gap and notable thermal stability up to 350 °C36. Miah and his research group conducted simulations on an innovative design involving Pb-free CsGeI3-based all-inorganic PSCs. Applying MnO3 as the hole transport layer (HTL), the researchers utilized SCAPS-1D (Solar Cell Capacitance Simulator in One Dimension) software and achieved an efficiency of 22.85%. Their findings indicated that the back contact electrode’s work function falls inside the boundary of 5 eV to 5.7 eV. Additionally, they determined that the optimal defect density is about 1012 cm−337.
In our PSC architecture, SnS₂ is employed as the electron transport layer (ETL) due to its excellent electron mobility, wide bandgap (2.24 eV)38, and favorable conduction band alignment with the perovskite absorbers, which facilitates efficient electron extraction and suppresses recombination39. On the other hand, Cu₂O is selected as the HTL because of its high hole mobility, suitable valence band alignment, good chemical stability, and non-toxic, earth-abundant nature40,41.
In this study, we propose a novel lead-free hybrid PSC structure based on a CsSnGeI₃/CsGeI₃ double-absorber heterojunction, which, to the best of our knowledge, has not been previously explored. The primary objective is to optimize photovoltaic performance through structural innovation and device parameter tuning. To achieve this, we employ a simulation-based approach using SCAPS-1D software to systematically investigate the influence of key parameters, including absorber layer thickness, doping concentration, and defect density. Furthermore, we evaluate the effects of temperature variations, and series resistance on device output characteristics. This work aims to provide design insights into next-generation, environmentally friendly PSCs by combining material innovation with simulation-based optimization strategies.
Three HTL-based PSC designs utilize distinct light-absorbing substances: a CsSnGeI3, b CsGeI3, and c a bilayer comprising of CsSnGeI3/CsGeI3, respectively.
Researchers utilize the SCAPS-1D software to adjust various parameters essential for photovoltaic performance. These tasks include adjusting absorber material thickness, doping concentrations, selecting front and rear contact materials, defining operating temperatures, improving quantum efficiency, and fine-tuning J–V parameters, among other optimizations. SCAPS-1D is a specialized simulation tool developed for solar cells, operating under one-dimensional conditions. The development was carried out by the Department of Electronics at Ghent University in Belgium42, SCAPS-1D employs important equations such as the Poisson and continuity equations to model electron-hole interactions accurately. The simulations in this research are conducted under an AM1.5G spectrum with a power density of 0.001 W/mm2. The research involves evaluating and comparing the performance of three different device structure using SCAPS-1D. The device designs, labeled as FTO/SnS2/CsSnGeI3/Cu2O/Au, FTO/SnS2/CsGeI3/Cu2O/Au and the optimized device is FTO/SnS2/CsSnGeI3/CsGeI3/Cu2O/Au depicted in Fig. 1a–c.
In this study, FTO is used as the front contact layer, and SnS₂ acts as the electron transport layer (ETL). Gold (Au, with a 5.2 eV work function) is employed as the rear contact, while aluminum (Al, with a 4.2 eV work function) is chosen as the front metal contact due to its high electrical conductivity, strong chemical stability, and suitable work functions. These properties facilitate efficient hole extraction from the Cu₂O layer and help reduce energy losses43,44. SnS2 is selected due to its superior carrier mobility and favorable band configuration with the absorber materials. Cu2O is selected as HTL. The thickness of SnS2 and Cu2O are determined to be 0.05 μm, while the thickness of absorber layers is varied. Solar cell operation involves three primary processes: light absorption, separation of electric charges, and extraction of these charges to their respective electrodes, followed by their transfer to external devices. The chosen materials facilitate electron migration from the absorber’s conduction band to the front contact FTO through the SnS2 ETL, while holes are directed from the absorber’s valence band toward the rear contact layer consisting of Au. The input parameters which are applied as input for the various regions of the three structures are mentioned in Tables 1, and 2.
In this study, the heterojunction PSC was simulated using version 3.3.11 of the SCAPS-1D software42. Through optimization techniques and exploration of the PSCs, successful completion of the simulation was achieved. SCAPS-1D operates on numerical techniques, solving semiconductor equations. The framework relies on three interconnected differential equations, numerically solving the continuity equation and Poisson’s formula for both hole and electron charge carriers (Eqs. (1)–(3))12,49.
In these equations, the terms represent various parameters such as electrostatic potential (ϕ), elementary charge (q), permittivity in free space (ε0), relative permittivity (εr), concentrations of electron (n) and hole (p), density of acceptor (NA) and donor (ND), trapped concentrations of electron (nt) and hole (pt), recombination rates of electrons (Rn) and holes (Rp), and creation rate of electron (Gn) and hole (Gp). Jn and Jp signify the density of electron and hole current, respectively which are defined in Eqs. (4) and (5), respectively. Parameters such as electron and hole mobility, diffusion coefficient of holes and electrons are represented by µn, µp, Dn, and Dp, respectively50,51.
While SCAPS-1D provides a valuable platform for simulating the performance of perovskite solar cells, it does have certain limitations. The model assumes ideal interfaces and does not account for interface recombination, grain boundary effects, or long-term material degradation, which can significantly impact real-world device performance52. Furthermore, the simulations are one-dimensional and neglect lateral effects, which are important in large-area devices. Therefore, while the results offer useful insights into trends and optimization strategies, experimental validation is essential to confirm the practical applicability of the proposed design, and the insights gained from this study can effectively inform and guide future experimental research in PSC development.
This segment delves into the results of multiple factors on the output of the device metrics, specifically JSC, VOC, FF, and PCE. These factors contain active layer thickness, doping density, defect density, temperature, rear contact metal, and series resistance. The study is meticulously organized into subsections, each providing an in-depth analysis of these individual elements and their impact on the device’s efficiency and functionality.
Figure 2a–c demonstrate the band diagram of CsSnGeI3, CsGeI3, CsSnGeI3/CsGeI3 bilayer-based PSCs, providing an inclusive overview of their behavior. In this background, the signs EV, FP, Fn, and EC denote different energy states within the band configuration, specifically signifying the maximum energy level of the valence band (VB), the holes Fermi level, the electrons Fermi level, and the minimum energy level of the conduction band (CB), respectively.
The band alignment for PSCs with a CsSnGeI3, b CsGeI3, and c a bilayer comprising of CsSnGeI3/CsGeI3 absorber, respectively.
The variation in energy levels between the lowermost point of the CB in the absorber layer and the CB edge of the ETL is termed the conduction band offset (CBO). Likewise, the energy difference between the uppermost point of the VB in the absorber layer and the VB edge of the HTL is referred to as the valence band offset (VBO). In this investigation, the energy gaps of CsSnGeI3 and CsGeI3 perovskite materials are measured at 1.5 eV and 1.363 eV, respectively. The energy bandgap of the fluorine-doped tin oxide (FTO) window layer is measured to be 3.6 eV, though the n-type tin disulfide (SnS2) buffer layer and the HTL exhibit energy bandgaps (Eg) of 2.24 eV and 2.17 eV, respectively. Figure 2c illustrates that the CB of CsGeI3 resides at an energy level above that of CsSnGeI3, allowing electrons to flow from CsGeI3 to CsSnGeI3. This energy difference facilitates efficient electron transfer to the ETL. Conversely, the VB of CsGeI3 is higher in energy than that of CsSnGeI3, enabling holes to flow from CsSnGeI3 to CsGeI3, thus promoting efficient hole transfer to the HTL53. At the same time, dual absorber PSC covers wider range of the solar spectrum by utilizing two different energy bandgaps which enhances the overall efficiency compared to the single absorber PSCs.
The combined effect of the dual perovskite active layer (PAL) thickness represents in the contour analysis of Fig. 3 which provides valuable insights into performance of the PSC device. The horizontal-axis signifies the thickness of CsGeI3, while the CsSnGeI3 thickness is demonstrated on the vertical-axis.
The photovoltaic parameter a JSC. b FF. c VOC, and d PCE are analyzed by varying the thickness of the perovskite active layer (PAL).
The simulation model employed in this research involved varying the thicknesses of active layers from 100 nm to 1000 nm. This innovative method, as displayed in Fig. 3a–d, demonstrate a means to assess influence of thickness. It is seen that the VOC reaches its highest value with thinner PAL thicknesses, achieving up to 1.25 volts, but decreases with rising PAL thickness owing to enhanced rates of recombination by introducing more defect54. Regarding the JSC, a CsGeI3 thickness of almost 1 μm gives better results, giving up to 33.25 mA/cm². On the contrary, lesser thickness of CsGeI3 and CsSnGeI3 result in decreased JSC for insufficient absorption of photon within the PALs55, attaining about 21.40 mA/cm², thus impacting efficiency negatively. The contour diagram in Fig. 3c reveals that a double PAL PSC offers a highest FF of 83.78% at optimal thickness. Ultimately, the combined influence of the thicknesses of the PAL on the PCE is illustrated in Fig. 3d. The analysis reveals that an optimal PCE of 34.18% is achieved when both CsGeI3 and CsSnGeI3 layers are precisely maintained at a thickness of 0.8 μm.
The active layer of the perovskite material captures photons of light, producing electron-hole pairs. Carrier concentration can be enhanced by doping this layer, and bending the energy diagrams of the heterojunction can align them with the ETL, thereby improving solar cell performance. We investigate the outcome of acceptor concentration (NA) change in the CsGeI3 and CsSnGeI3 layers, extending from 1 × 1012 to 1 × 1019 cm−3. Figures 4a–d explain the effect of doping on the output of the PSCs. It was observed that this PSCs reveals better performance when the doping in the CsGeI3 layer surpasses that in the CsSnGeI3 layer, as shown in Fig. 4d.
Indeed, when the level of doping density in CsGeI3 layer exceeds that of the CsSnGeI3 layer, it improves the hole and electron mobility in the active layer. The FF is significantly influenced by variations in doping concentration, as demonstrated in Fig. 4b. The changes of doping in the active layer generates an internal electric field, leading to a significant emission of electrons from the device, as depicted in Fig. 4a. Subsequently, as a result of this phenomenon the voltage is reduced, which depicted in Fig. 4c.
Influence of active layer doping on the output of PSCs: a JSC. b FF. c VOC. d PCE.
Instead, as the doping in the CsSnGeI3 layer exceeds that of the CsGeI3 layer, then the movement of particles is impeded, which causes the device to enhance the VOC. In Fig. 4d, it’s demonstrated that the PCE of the PSCs peaks at a doping of 1 × 1017 cm−3 for CsGeI3 and 1 × 1016 for CsSnGeI3 perovskite materials, attaining a PCE of approximately 34.18% at a thickness of 800 nm for both PALs. As doping rises, the output parameters of the PSC increase except JSC. Nonetheless, the VOC attains its peak value of 1.25 V at a doping density of 1 × 1017 cm−3 for CsGeI3 and 1 × 1016 for CsSnGeI3 perovskite materials (Fig. 4c). The JSC shows a continuous reduction with rising doping of CsSnGeI3. At an optimized doping for both PALs, the highest JSC attains 32.67 mA/cm2 (Fig. 4a). Furthermore, the FF accomplishes 83.64% at this adjusted doping concentration (Fig. 4b).
Figure 5a–d illustrates the alteration in defect density (DD) in the PAL, ranging from 1 × 1010 to 1 × 1016 cm−3. We found that DD extensively influences the output parameters, as shown in Fig. 5a–d. The analysis focuses on CsGeI3 and CsSnGeI3 absorber layers. Output parameters demonstrate a decrease with increasing DD in the active layer except for FF, suggesting a relationship between trapping of carrier and DD inside the solar cell. An increase in DD enhances recombination of carrier by capturing electrons and holes, which results in loss of energy as they interact inside the crystal lattice, thus promoting recombination owing to lower levels of carrier energy 56,57. As trap density rises, the increased recombination process results in a deterioration of PSC performance58, which could potentially lead to device overheating. Therefore, it is essential to keep defect density in tolerable limits, around 1012 cm−3, considering the permissible current and voltage thresholds of the CsGeI3​ layer (1.363 eV) and CsSnGeI3​ layer (1.5 eV). Figure 5d illustrates that the PCE becomes the highest at a DD of 1 × 1012 cm−3 for individual perovskite materials, attaining approximately 34.18% for the thickness of 800 nm of both PALs. As DD upsurges, the performance parameters of the PSC decline except FF. However, VOC reaches its peak value 1.25 V at a defect density of 1 × 1012 cm−3 for both perovskite materials (Fig. 5c). JSC shows a nonstop reduction with rising defect density, continuously deteriorating the output. At an adjusted DD of 1 × 1012 cm−3 for both PALs, the maximum JSC becomes 32.67 mA/cm2 (Fig. 5a). In addition, FF achieves 83.64% at this optimized DD (Fig. 5b).
Impact of absorber defect density on performance parameters of PSCs: a JSC, b FF, c VOC, d PCE.
Temperature poses a considerable challenge to the performance of PSCs, as shown in Fig. 6, where the PV parameters of the PSC are examined across a temperature range of 300 to 420 K. The analysis shows that when the temperature rises, the JSC tends to rise, whereas the FF, VOC, and PCE decline. This phenomenon specifies that higher temperatures promote thermal mobility of electrons and holes in the PSC, possibly contributing to increased JSC. Nevertheless, elevated temperatures can cause the absorber layer to behave like an ohmic conductor, thereby obstructing the movement of the carrier and converting electrical energy into heat, which consequently lowers output parameters59. Inadequate dissipation of temperature within various parts of the PSC can intensify the increase in temperature, risking damage to the PSC. Consequently, it is vital to wisely evaluate the performance limits of every active layer when fabricating heterojunction solar cells. The JSC remains nearly unchanged across the temperature range, as the photon absorption and carrier generation processes in the absorber layers are largely unaffected by thermal variations60. Similarly, the VOC shrinkages from 1.25 V at 300 K to 1.20 V at 420 K. In parallel, the FF experiences a notable reduction, dropping from 83.64% at 300 K to 79.91% at 420 K. The efficiency exhibits the maximum value of 34.18% at lesser temperatures, lessening to 31.71% as temperature boosts (Fig. 6(a)).
The influence of temperature on a photovoltaic output and b the J–V characteristics of the PSC at various temperatures employing a double PAL configuration.
Furthermore, the optimized PSC exhibits a more pronounced temperature gradient, showing an average reduction of -0.0265%/K in efficiency. Figure 6b also illustrates the J–V characteristics under different temperature, specifically emphasizing the significance of temperature’s impact. Temperature influences material characteristics such as charge carrier mobility and density, leading to diminished cell performance61. Table 3 presents the maximum parameters achieved under optimized temperature conditions.
The results stated in “Exploration of the band structure characteristics of PSCs” to “Impact of temperature on the output of PSCs” have assumed an appropriate interface in the current heterojunction, where the defect density and related interfacial recombination remained undetermined. To analyze the impact of interfacial (IF) defect density is crucial for solar cells, as these defects significantly affect performance by promoting carrier recombination, ultimately reducing the PCE of PSCs. Recognizing the relationship between IF defect density and output has driven researchers to devise strategies to minimize defect formation and enhance PSC efficiency. The impact of IF defect on PSCs contributes to a clear understanding of solar cell physics, opening the door for innovative materials and advanced deposition techniques. Further simulations were conducted to assess the effect of the Cu2O/CsGeI3, CsGeI3/CsSnGeI3 and CsSnGeI3/SnS2 IF on SC photovoltaic (PV) outputs. The IF defect density ranged from 1 × 1010 cm−2 to 1 × 1016 cm−2, and the respective device performance was evaluated. For the interface of Cu2O/CsGeI3 in Fig. 7a, increasing IF density led to a negligible impact on JSC but significantly lowered VOC from 1.25 volts to 1.17 volts, whereas FF is rising from 83.6% to 88% due to defect-induced band bending at the interface, which can enhance built-in electric fields and improve charge carrier separation and extraction under certain conditions. IF defects can generate recombination centers, reducing carrier transport efficiency in the PSC and resulting in decreased VOC and FF, ultimately lowering PCE14 from 34.18% to 32.68%. At the CsGeI3/CsSnGeI3 interface in Fig. 7b, higher IF density had maximal effect on the JSC which decreasing from 32.67 mA/cm2 to 24.62 mA/cm2 and VOC reduces from 1.25 to 0.94 volts, accompanied by a decrease in the FF from 88.64 to 76.02% and lowering the PCE from 34.18 to 17.76%. Similar trends were observed for CsSnGeI3/SnS2 interface Fig. 7c, where increasing IF density led to reduced PCE but JSC remained constant.
The influence of interface DD on the photovoltaic output of the PSC; a Cu2O/CsGeI3, b CsGeI3/CsSnGeI3, and c CsSnGeI3/SnS2, respectively.
Figure 8 demonstrates the influence of series resistance (RS) on the performance of the optimized PSC that utilizing a double-graded absorber layer. The results indicate that the most favorable outcomes are achieved at 0 Ω.m resistance which represents the optimal series resistance. However, increasing series resistance exhibits a constant trend in both JSC and VOC. Enhancing series resistance in a solar cell leads to higher voltage drops, greater power dissipation, and a lower maximum power point. These factors collectively reduce the FF continuously resulting a continuous decline in PCE from 34.18% to 28.5%.
The influence of series resistance on the outputs of the optimized PSC.
Figure 9a, examines the J–V properties for both the single PAL (CsGeI3 and CsSnGeI3) and the double PALs (CsGeI3/CsSnGeI3)-based solar cell architecture under improved conditions. The simulated results reveal that the dual PAL demonstrates a superior JSC value due to its ability to absorb photons in the broader energy range, thereby increasing exciton generation. In comparison, the dual PALs yield a JSC of 32.67 mA/cm², while the single PAL CsGe3I3 achieves a JSC of 32.42 mA/cm² and for CsSnGeI3 the JSC is 27.30 mA/cm². Additionally, the solar cell with the double PALs exhibits a lower VOC compared to CsSnGeI3-based PSC, attributed to higher recombination rates within the dual PAL. Specifically, the CsGeI3/CsSnGeI3 double PALs offer a VOC of 1.25 volts, whereas the single PAL CsSnGeI3 achieves a VOC of 1.30 volts.
Figure 9b, illustrates the optimized quantum efficiency (QE) spectrum for dual and single active layers. The QE values are lower relative to the dual PAL of CsGeI3/CsSnGeI3 due to the broader absorption spectrum of dual PALs, which absorb a wider portion of light wavelengths encompassing low as well as high bandgaps62. The QE curve for dual absorber indicates that throughout the full depth of the active layer (800 nm), the QE have a tendency to saturate, reaching its peak efficiency. Nonetheless, it quickly diminishes to zero at the cutoff wavelength of 1050 nm. After sensibly taking into account the balance among PV parameter values, 800 nm was identified as the optimal thickness. These findings regarding J–V attributes are assisted by the QE spectra. For further assessment, the optimum simulated performance for the final solar cells is summarized in Table 3 which revealed better performance compared to other designs.
The a J–V characteristics, and b QE spectra of single, and double PSCs.
As shown in Table 3, the proposed CsSnGeI3/CsGeI3-based PSC with optimized parameters achieves a superior PCE of 34.18%, which is significantly higher than the values reported for other dual absorber designs in previous studies. This improvement can be attributed to the broader spectral absorption, better energy level alignment, and improved carrier separation facilitated by the carefully engineered heterojunction structure. The comparison highlights the effectiveness of our material selection and optimization strategy in surpassing the performance of earlier reported lead-free and dual absorber solar cell configurations.
This research demonstrates the potential of dual absorber layer designs in hybrid-PSCs to enhance photovoltaic performance. By employing a CsSnGeI3/CsGeI3 heterojunction, we achieved an extensively rise in PCE, reaching up to 34.18% under optimal conditions with CsGeI3 and CsSnGeI3 thicknesses around 800 nm, doping levels at approximately 1 × 1017 cm−3 for CsGeI3 and 1 × 1016 for CsSnGeI3, and suggested defect density at around 1 × 1012 cm−3 for both absorbers. These metrics represent a substantial improvement over single absorber layer designs, highlighting the effectiveness of the double absorber approach. The enhanced efficiency is primarily results from the broader absorption spectrum and improved charge carrier separation facilitated by the heterojunction. Our simulation-based analysis underscores the importance of optimizing absorber layer thickness, doping concentrations, and defect densities to maximize device output. Additionally, the study highlights the critical role of maintaining appropriate rear contact electrode temperatures, and minimizing series resistances. This dual absorber layer design using CsSnGeI3/CsGeI33 heterojunctions offers a promising pathway to meaningfully advance the efficiency of PSCs to develop more effective and stable PSCs.
The data that support the findings of this study are available from the corresponding author upon reasonable request.
Kundara, R. & Baghel, S. Performance optimization of lead-free KGeCl3 based perovskite solar cells using SCAPS-1D. Sol. Energy 287, 113253 (2025).
Article  CAS  Google Scholar 
Kapim, A. D., Nangmetio, C. A. & Kuatche, N. J. Computational improvement of the performance of a thermoelectric element (generator and cooler) using an external magnetic field. J. Electron. Mater. 52, 951–959 (2023).
Article  ADS  CAS  Google Scholar 
Momblona, C. et al. Efficient methylammonium lead iodide perovskite solar cells with active layers from 300 to 900 Nm. APL Mater. 2, 081504 (2014).
Sarkar, J., Talukdar, A., Debnath, P. & Chatterjee, S. Study of bromine substitution on band gap broadening with consequent blue shift in optical properties and efficiency optimization of lead–free CsGeIXBr3 – X based perovskite solar cells. J. Comput. Electron. https://doi.org/10.1007/s10825-023-02038-4 (2023).
Article  Google Scholar 
Yadav, A., Vanshika, Kundara, R. & Baghel, S. Investigating the efficiency and optimization of Germanium-based perovskite solar cell using SCAPS 1D. Indian J. Eng. Mater. Sci. 30, 706–712 (2023).
CAS  Google Scholar 
Tyagi, P. & Choudhary, S. Modulating the optical and electrical properties of MoSe2 (Molybdenum diselenide) and WS2 (Tungsten disulfide) monolayer by the adsorption of halogen (F, Cl, Br, I and At) atoms. Opt. Quantum Electron. 54, 869 (2022).
Article  CAS  Google Scholar 
Rahman, M. F. et al. A computational study of electronic, optical, and mechanical properties of novel Ba3SbI3 perovskite using DFT. Opt. Quantum Electron. 56, 206 (2024).
Article  CAS  Google Scholar 
Joifullah, S. et al. First-principles investigation of pressure-modulated structural, electronic, mechanical, and optical characteristics of Sr3PX3 (X = Cl, Br) for enhanced optoelectronic application. Opt. Quantum Electron. 56, 1–28 (2024).
Article  Google Scholar 
Al-Qaisi, S. et al. A comprehensive first-principles study on the physical properties of Sr2ScBiO6 for low-cost energy technologies. Opt. Quantum Electron. 55, 1015 (2023).
Article  CAS  Google Scholar 
Jehan, A. et al. Insight into the structural, optoelectronic, and elastic properties of AuXF3 (X = Ca, Sr) fluoroperovskites: DFT study. Opt Quantum Electron 55, (2023).
Souri, S. & Marandi, M. Numerical modelling of the effect of the ag: ZnSe BSF layer on the high performance of ZnSe/CdTe thin film solar cells by SCAPS-1D software. Opt. Quantum Electron. 55, 397 (2023).
Article  CAS  Google Scholar 
Hossain, M. K. et al. Effect of various electron and hole transport layers on the performance of CsPbI3-Based perovskite solar cells: a numerical investigation in DFT, SCAPS-1D, and WxAMPS frameworks. (2022). https://doi.org/10.48550/arXiv.2211.02968
Abedini-Ahangarkola, H., Soleimani-Amiri, S. & Gholami Rudi, S. Modeling and numerical simulation of high efficiency perovskite solar cell with three active layers. Sol. Energy 236, 724–732 (2022).
Article  ADS  CAS  Google Scholar 
Hossain, M. K. et al. Numerical simulation and optimization of a CsPbI3-based perovskite solar cell to enhance the power conversion efficiency. New J. Chem. 47, 4801–4817 (2023).
Article  CAS  Google Scholar 
Zhang, Y., Grancini, G., Feng, Y., Asiri, A. M. & Nazeeruddin, M. K. Optimization of stable Quasi-Cubic FAxMA1-xPbI3 perovskite structure for solar cells with efficiency beyond 20%. ACS Energy Lett. 2, 802–806 (2017).
Article  CAS  Google Scholar 
Li, C., Wang, Y. & Choy, W. C. H. Efficient interconnection in perovskite tandem solar cells. Small Methods. 4, 1–19 (2020).
Article  Google Scholar 
Morales-Acevedo, A. Fundamentals of solar cell physics revisited: common pitfalls when reporting calculated and measured photocurrent density, open-circuit voltage, and efficiency of solar cells. Sol. Energy 262, 111774 (2023).
Article  CAS  Google Scholar 
Kundara, R. & Baghel, S. Performance optimization of—CsSnI 3-based perovskite solar cells using SCAPS-1D and machine learning analysis. J. Opt. https://doi.org/10.1007/s12596-025-02510-3 (2025).
Article  Google Scholar 
Azhakanantham, D., Selvamani, M., Kim, G., Contreras, T. & Varman Kesavan, A. Exploring novel HTL suitable for Eco-friendly and high performance FASnI3 photovoltaics. Mater. Sci. Eng. B. 284, 115909 (2022).
Article  CAS  Google Scholar 
Ferdous Rahman, M. et al. Boosting efficiency above 30% of novel inorganic Ba3SbI3 perovskite solar cells with potential ZnS electron transport layer (ETL). Mater. Sci. Eng. B. 300, 117073 (2024).
Article  CAS  Google Scholar 
Deswal, V., Kaushik, S., Kundara, R. & Baghel, S. Numerical simulation of highly efficient Cs2AgInBr6-based double perovskite solar cell using SCAPS 1-D. Mater. Sci. Eng. B. 299, 117041 (2024).
Article  CAS  Google Scholar 
Wei, Y. et al. Improving the performance of Cu2ZnSn(S,Se)4 thin film solar cells by SCAPS simulation. Mater. Sci. Eng. B. 303, 117296 (2024).
Article  CAS  Google Scholar 
Zagefka, H. & James, T. The psychology of charitable donations to disaster victims and beyond. Soc. Issues Policy Rev. 9, 155–192 (2015).
Article  Google Scholar 
Kenfack, A. D. K. & Tagne, E. K. Contribution of a non-uniform magnetic field on the electric power of a photovoltaic panel contribution of a non-uniform magnetic field on the electric power of a photovoltaic panel. (2023). https://doi.org/10.7176/JETP/10-7-0
He, X. et al. The band structures of Zn 1 – x Mg x O(In) and the simulation of CdTe solar cells with a Zn 1 – x Mg x O(In) window layer by SCAPS. Energies 12, 1–11 (2019).
Google Scholar 
Belarbi, F., Rahal, W., Rached, D., benghabrit, S. & Adnane, M. A comparative study of different buffer layers for CZTS solar cell using Scaps-1D simulation program. Optik (Stuttg). 216, 164743 (2020).
Article  CAS  Google Scholar 
Serhan, M. et al. Total iron measurement in human serum with a smartphone. AIChE Annu. Meet. Conf. Proc. (2019).
Kenfack, A. D. K., Thantsha, N. M. & Msimanga, M. Simulation of lead-free heterojunction CsGeI2Br/CsGeI3-based perovskite solar cell using SCAPS-1D. Solar 3, 458–472 (2023).
Article  Google Scholar 
Ming, W., Shi, H. & Du, M. H. Large dielectric constant, high acceptor density, and deep electron traps in perovskite solar cell material CsGeI3. J. Mater. Chem. A. 4, 13852–13858 (2016).
Article  CAS  Google Scholar 
Nano Select. 2025. Khan-device modeling and performance enhancement of ecologically viable CsGeI3-Based Perovskite.pdf.
Panjikaran, M. J. et al. Solution-free melt-grown CsGeI3 polycrystals for lead-free perovskite photovoltaics: synthesis, characterization, and theoretical insights. J. Electron. Mater. 53, 6090–6097 (2024).
Article  ADS  CAS  Google Scholar 
Seyed-Talebi, S. M. & Beheshtian, J. Lead-free inorganic cesium Tin-Germanium Triiodide perovskites for photovoltaic application. Int. J. Energy Power Eng. 15, 252–257 (2021).
Google Scholar 
Al-Mousoi, K. Comparative study of the correlation between diffusion length of charge carriers and the performance of CsSnGeI3Perovskite solar cells. Energy Fuels. 36, 14403–14410 (2022).
Article  Google Scholar 
Abdulmalik, M. O. et al. Numerical study of 25.459% alloyed inorganic lead-free perovskite CsSnGeI3-based solar cell by device simulation. East Eur. J. Phys. 125–135 (2022).
Momin, H. et al. Computation and analysis of highly stable and efficient non-toxic perovskite 3 based solar cells to enhance efficiency using SCAPS-1D software Md computation and analysis of highly stable and efficient non-toxic perovskite CsSnGeI3 based solar cells to enhance efficiency using SCAPS-1D software. Signal Image Process. Lett. 5, 9–19 (2023).
Helal Miah, M. et al. Optimization and detail analysis of novel structure Pb-free CsGeI3-based all-inorganic perovskite solar cells by SCAPS-1D. Optik (Stuttg). 281, 170819 (2023).
Article  CAS  Google Scholar 
Huang, C. H. & Chuang, W. J. Dependence of performance parameters of CdTe solar cells on semiconductor properties studied by using SCAPS-1D. Vacuum 118, (2015).
Paul, I. Design and performance analysis of photovoltaic solar cells using WSe₂ as an absorber layer with SnS₂. Electron. Transp. Layer 04, 83–101 (2025).
Google Scholar 
Bochaoui, H. & Bouabdellati, E. M. Exploring the photovoltaic potential of RbGeCl₃ perovskite: a DFT and SCAPS-1D approach for lead-free solar cells. Phys. B Condens. Matter 417007 (2025).
Xie, W. et al. Numerical investigation on the performance of heterojunction solar cells with Cu2O as the hole transport layer and Cu2MoSnS4 as the absorption layer. Phys. Lett. A. 528, 130029 (2024).
Article  CAS  Google Scholar 
Hossain, M. K. et al. Deep insights into the coupled optoelectronic and photovoltaic analysis of lead-free CsSnI 3 perovskite-based solar cell using DFT calculations and SCAPS-1D simulations. ACS Omega. 8, 22466–22485 (2023).
Article  CAS  PubMed  PubMed Central  Google Scholar 
Burgelman, M., Decock, K., Niemegeers, A., Verschraegen, J. & Degrave, S. manual. (2023).
Danladi, E. et al. Impact of hole transport material on perovskite solar cells with different metal electrode: a SCAPS-1D simulation insight. Heliyon 9, e16838 (2023).
Article  CAS  PubMed  PubMed Central  Google Scholar 
Bouazizi, S., Tlili, W., Bouich, A., Soucase, B. M. & Omri, A. Design and efficiency enhancement of FTO/PC60BM/CsSn0.5Ge0.5I3/Spiro-OMeTAD/Au perovskite solar cell utilizing SCAPS-1D simulator. Mater. Res. Express. 9, 0–12 (2022).
Article  CAS  Google Scholar 
Kumar, A. & Thakur, A. D. Analysis of SnS2 buffer layer and SnS back surface layer based CZTS solar cells using SCAPS. Mater. Sci. (2015).
Otsuki, A., & Mizuno, M. J. Mater. Sci. Suppl. Trans. Jpn. Inst. Met. 27, 789–796 (1986).
Hosseini, S. R. et al. Investigating the effect of non-ideal conditions on the performance of a planar CH3NH3PbI3-based perovskite solar cell through SCAPS-1D simulation. Heliyon 8, e11471 (2022).
Thomas, T. Numerical analysis of CsSnGeI3 perovskite solar cells using SCAPS-1D. Int. J. Energy Power Eng. 10, 87 (2021).
Burgelman, M., Nollet, P. & Degrave, S. Modelling polycrystalline semiconductor solar cells. Thin Solid Films 361–362, 527–532 (2000).
Article  Google Scholar 
Ivashchenko, M. M. et al. A numerical simulation of solar cells based on the CuO and Cu2O absorber layers with ZnMgO window layer. Mater. Sci. Eng. B 300, 117133 (2024).
Article  CAS  Google Scholar 
Behera, D. et al. Prediction of new MAX phase Zr2MSiC2 (M = Ti, V) compounds as a promising candidate for future engineering: DFT calculations. Mater. Sci. Eng. B 301, 117141 (2024).
Article  CAS  Google Scholar 
Abhisek Saidarsan, S., Guruprasad, A., Malik, P. & Basumatary, D. S. G. A critical review of unrealistic results in SCAPS-1D simulations: Causes, practical solutions and roadmap ahead. Sol Energy Mater. Sol Cells 279, 113230 (2025).
Article  Google Scholar 
Prasanna, J. L., Goel, E. & Kumar, A. Efficient modeling of double absorber layered structure in perovskite solar cells using machine learning techniques. Phys. Scr. 98, (2023).
Ashrafi, N. E., Miah, M. H., Rahman, M. B., Aminul Islam, M. & Khandaker, M. U. Revealing the high-performance of a novel Ge-Sn-Based perovskite solar cell by employing SCAPS-1D. Phys. Scr. 99, (2024).
Samanta, A., Kumar, V. & Kanjilal, A. Exploring efficiency improvement by introducing ge in CsSnI3 perovskite solar cells: computational approach. J. Electron. Mater. 53, 4272–4286 (2024).
Article  ADS  CAS  Google Scholar 
Shivesh, K., Alam, I., Kushwaha, A. K., Kumar, M. & Singh, S. V. Investigating the theoretical performance of Cs2TiBr6-based perovskite solar cell with La-doped BaSnO3 and CuSbS2 as the charge transport layers. Int. J. Energy Res. 46, 6045–6064 (2022).
Article  CAS  Google Scholar 
Saikia, D., Bera, J., Betal, A. & Sahu, S. Performance evaluation of an all inorganic CsGeI3 based perovskite solar cell by numerical simulation. Opt. Mater. (Amst) 123, 111839 (2022).
Article  CAS  Google Scholar 
Alam, I., Mollick, R. & Ashraf, M. A. Numerical simulation of Cs2AgBiBr6-based perovskite solar cell with ZnO Nanorod and P3HT as the charge transport layers. Phys. B Condens. Matter 618, 413187 (2021).
Article  CAS  Google Scholar 
Schwenzer, J. A. et al. Temperature variation-Induced performance decline of perovskite solar cells. ACS Appl. Mater. Interfaces 10, 16390–16399 (2018).
Article  CAS  PubMed  Google Scholar 
Ziane, S. G. S. M. I. & Belarbi, M. Tuning the electronic and optical properties of Cu2ZnSn1 – xGexS4 alloys for photovoltaic applications: a hybrid density functional theory and device simulation approach. Batter Energy 4, e20240066 (2025).
Article  Google Scholar 
Kanoun, A. A., Kanoun, M. B., Merad, A. E. & Goumri-Said, S. Toward development of high-performance perovskite solar cells based on CH3NH3GeI3 using computational approach. Sol Energy 182, 237–244 (2019).
Article  ADS  CAS  Google Scholar 
AlZoubi, T., Moghrabi, A., Moustafa, M. & Yasin, S. Efficiency boost of CZTS solar cells based on double-absorber architecture: device modeling and analysis. Sol Energy 225, 44–52 (2021).
Article  ADS  CAS  Google Scholar 
Zhang, Y. N. et al. Enhanced optical absorption and efficient cascade electron extraction based on energy band alignment double absorbers perovskite solar cells. Sol Energy Mater. Sol Cells 194, 168–176 (2019).
Article  CAS  Google Scholar 
Rahman, M. et al. Design and numerical investigation of cadmium telluride (CdTe) and iron silicide (FeSi2) based double absorber solar cells to enhance power conversion efficiency. AIP Adv. 12, (2022).
Li, X. et al. Theoretical analysis of all-inorganic solar cells based on numerical simulation of CsGeI3/CsPbI3 with p-p + built-in electric field. Sol Energy 247, 315–329 (2022).
Article  ADS  CAS  Google Scholar 
Li, F. et al. Perovskite quantum dot solar cells with 15.6% efficiency and improved stability enabled by an α-CsPbI3/FAPbI3 bilayer structure. ACS Energy Lett. 4, 2571–2578 (2019).
Article  CAS  Google Scholar 
Khatoon, S., Yadav, S. K., Singh, J. & Singh, R. B. Design of a CH3NH3PbI3/CsPbI3-based bilayer solar cell using device simulation. Heliyon 8, e09941 (2022).
Article  CAS  PubMed  PubMed Central  Google Scholar 
Hajjiah, A., Gamal, M., Kandas, I., Gorji, N. E. & Shehata, N. DFT and AMPS-1D simulation analysis of all-perovskite solar cells based on CsPbI3/FAPbI3 bilayer structure. Sol Energy Mater. Sol Cells 248, 112026 (2022).
Article  CAS  Google Scholar 
Mandadapu, U., Vedanayakam, V., Thyagarajan, K. & Babu, B. Optimisation of high efficiency tin halide perovskite solar cells using SCAPS-1D. Int. J. Simul. Process. Model. 13, 221 (2018).
Article  Google Scholar 
Zhao, Q. et al. High efficiency perovskite quantum Dot solar cells with charge separating heterostructure. Nat. Commun. 10, 2842 (2019).
Article  ADS  PubMed  PubMed Central  Google Scholar 
Xu, X., Wang, J., Cao, D., Zhou, Y. & Jiao, Z. Design of all-inorganic hole-transport-material-free CsPbI3/CsSnI3heterojunction solar cells by device simulation. Mater Res. Express 9, (2022).
Farhadi, B., Ciprian, M., Zabihi, F. & Liu, A. Influence of contact electrode and light power on the efficiency of tandem perovskite solar cell: numerical simulation. Sol Energy 226, 161–172 (2021).
Article  ADS  CAS  Google Scholar 
Sarker, S. et al. A SCAPS simulation investigation of non-toxic MAGeI3-on-Si tandem solar device utilizing monolithically integrated (2-T) and mechanically stacked (4-T) configurations. Sol Energy 225, 471–485 (2021).
Article  ADS  CAS  Google Scholar 
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A. Irfan extends his appreciation to the Deanship of Research and Graduate Studies at King Khalid University for funding this work through the Large Groups Research Project under grant number (RGP2/71/46).
Advanced Energy Materials and Solar Cell Research Laboratory, Department of Electrical and Electronic Engineering, Begum Rokeya University, Rangpur, 5400, Bangladesh
Md. Ferdous Rahman, Mahabur Rahman & Md. Rezwanul Islam
Department of Physics, Rajshahi University of Engineering and Technology, Rajshahi, 6204, Bangladesh
Md. Faruk Hossain
Department of Physics, Astronomy Texas A&M University-Commerce, 2200 Campbell St, Commerce, TX, 75429, USA
Sahjahan Islam & Dipika Das Ria
OTEA, Department of Engineering Sciences, Faculty of Sciences and Techniques, Moulay Ismail University of Meknes, Boutalamine, BP 509, 52000, Errachidia, Morocco
Abdellah Benami
Department of Chemistry, College of Science, King Khalid University, P.O. Box 9004, 61413, Abha, Saudi Arabia
Ahmad Irfan
Department of Physics, Faculty of Science, University of Tabuk, 71491, Tabuk, Saudi Arabia
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Correspondence to Md. Ferdous Rahman.
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Rahman, M.F., Rahman, M., Hossain, M.F. et al. Unraveling high-efficiency lead-free perovskite solar cells using a CsSnGeI3/CsGeI3 dual absorber and a Cu2O HTL. Sci Rep 15, 42865 (2025). https://doi.org/10.1038/s41598-025-26935-9
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