SCAPS-1D Simulator Research Articles

Investigation on indium concentration in two-terminal tandem indium gallium nitride solar cells by SCAPS-1D

Indium gallium nitride (InGaN) thin-film solar cell is a promising photovoltaic (PV) device. InGaN’s bandgap is tunable from 0.7 to 3.4 eV and it exhibits a high absorption coefficient exceeding 105 cm−1. Besides, InGaN solar cells can be used in tandem configuration, to effectively absorb the solar spectrum. Previous works found that increased indium (In) concentration leads to inverse relationship between open-circuit voltage (Voc) and power conversion efficiency (PCE) of the solar cell. This leads to deleterious device performance. This study aims to assess the performance of two-terminal InGaN tandem solar cells using SCAPS-1D simulation software. The findings revealed maximum short-circuit current density (Jsc) of 26.19 mA cm−2, open-circuit voltage (Voc) of 2.13 V, fill factor (FF) of 89.68%, and PCE of 30.17% from the tandem device. The results indicate that higher In concentration enhances light absorption and the overall PCE, with tandem cells outperforming single-junction cells. This study makes a valuable contribution to the advancement of high-efficiency solar technology based on InGaN.

Optimization of Sr3NCl3-based perovskite solar cell performance through the comparison of different electron and hole transport layers

Strontium Nitride Trichloride (Sr3NCl3) is a promising absorber material for solar cells due to its unique structural, electrical, and optical properties. We conducted a thorough investigation to scrutinize the structural, optical, and electronic characteristics and the photovoltaic efficiency of double-heterojunction solar cells utilizing Sr3NCl3 absorbers. Various metals were evaluated for the front and rear contacts to determine the optimal metal-semiconductor interface, with the study determining that silver (Ag) is the most suitable option for the front contact and nickel (Ni) for the back contact. The PV performance of innovative Sr3NCl3 absorber-based cell structures was evaluated with two different Hole Transport Layers (HTLs), MASnBe3 and CBTS, alongside ZnO and WS2 serving as the transition metal dichalcogenide (TMD) Electron Transport Layers (ETLs). This investigation examined a range of factors, such as layer thickness, operational temperature, doping density, defect densities at both the interfaces and within the bulk, carrier generation and recombination rates, quantum efficiency (QE), series versus shunt resistance, absorption coefficient, and current density-voltage (J-V) characteristics, utilizing the SCAPS-1D simulator software. Fine-tuning of both two HTL and ETL revealed that the highest power conversion efficiency (PCE) of 27.34 % with JSC of 19.78 mA/cm2, fill factor (FF) of 88.84 %, and VOC of 1.56 V was achieved with MASnBe3 HTL and ZnO ETL, while the lowest PCE of 25.55 %, with JSC of 19.77 mA/cm2, FF of 89.07 %, and VOC of 1.45 V was obtained for CBTS HTL and WS2 ETL, respectively. These findings highlight the promising potential of Sr3NCl3 absorbers with ZnO as ETL and MASnBe3 as HTL for developing advanced perovskites heterostructure solar cells for enhanced performance in the future.

Enhancing SrZrS3 perovskite solar cells: A comprehensive SCAPS-1D analysis of inorganic transport layers

In the quest for sustainable energy, perovskite solar cells have emerged as promising candidates due to their high power conversion efficiencies and excellent optoelectronic properties. This study focuses on SrZrS3, a lead-free chalcogenide perovskite, and its integration with various inorganic transport layers for enhanced photovoltaic performance. Using SCAPS-1D simulation software, the effects of different electron transport layers (ETLs) and hole transport layers (HTLs) on device efficiency were systematically explored. The device with a-Si:H as the HTL and ZnS as the ETL (aSi-3) shows the highest efficiency of 20.01 % resulting from better energy band alignment and reduced recombination losses. This study highlights the importance of optimizing transport layers for enhancing SrZrS3-based solar cells, offering insights for developing high-performance, lead-free perovskite solar cells.

Performance optimization of FASnI3 based perovskite solar cell through SCAPS-1D simulation

The article provides a detailed look at the fabrication of a high-performance structure for FASnI3-based perovskite solar cells (PSCs). The FTO/CeO2/FASnI3/CuI/Au structure is designed using the Solar Cell Capacitance Simulator in One Dimension (SCAPS-1D) to investigate the fabricated PSC's performance. This investigation's main objective is to improve PSCs performance by using non-traditional Hole transport layer (HTL) and Electron transport layer (ETL) materials, such as CeO2 and CuI, which have both been the subject of limited research. Moreover, the investigation seeks to determine the impact of several perovskite layer characteristics, including bandgap (Eg), electron affinity (χ), acceptor density (NA), thickness (t), and defect density (Nt). Additionally, this study also investigates the effect of various back contact work functions. Significant improvements in solar cell parameters, such as power conversion efficiency (PCE) from 22.06% to 24.87% and current density (Jsc) from 26.0274 to 30.675 mA/cm2, were observed by optimizing the device's parameters. In contrast, the fill factor (FF) and open circuit voltage (Voc) decreased their values from 86.13% to 87.10% and 0.9843 to 0.9308 V, respectively. These findings show that our designed solar cell structure performs better than those with conventionally used HTLs and ETLs. Consequently, this study highlights the potential benefits of lead-free PSCs and presents fresh opportunities for their development and use in various solar applications.

A thorough investigation of HTL layers to develop and simulate AgCdF3-based perovskite solar cells

Perovskite photocells are gaining attention mainly because of their special features. The purpose of this work is to use the SCAPS-1D simulator to model the action of absorbers in perovskite photocells that are based on silver cadmium fluoride. This research investigates how varying HTLs (Cu2O and P3HT) combined with an In2S3 ETL influence the efficiency of these solar cells. The PCEs are 30.33 and 30.02 %, with VOC of 0.91 and 0.90 V, JSC of 42.00 and 41.88 mAcm−2, and FF of 79.45 and 79.59 % for Cu2O and P3HT HTLs, respectively. After optimizing the device (Al/FTO/In2S3/AgCdF3/Cu2O/Ni), this study also looks at how the optimized thickness of ETL and HTL, acceptor density, donor and defect density, temperature, J-V and QE properties, generation and recombination rates, series, and shunt resistance impact performance. This comprehensive simulation research enables scientists to create cost-efficient and highly effective PSCs, furthering advancements in solar technology.

An inorganic Lead-free Cs2SnI6-based perovskite solar cell Optimization by SCAPS-1D

Cs2SnI6 is an environmentally friendly and reliable perovskite solar cell (PSCs) material. Its optimal band gap and strong light absorption make it a promising candidate for the absorption layer. However, the current challenge is to improve its photoelectric conversion efficiency. To address this, this study investigates the performance of PSCs based on Cs2SnI6 using SCAPS-1D simulation. The influence of various factors on PSC performance is examined, including different hole transport layers(HTLs) and electron transport layers(ETLs), perovskite layer thickness, ETL doping density, HTL doping density, absorber doping density, perovskite layer defect density, different back contacts and temperature. Finally, a Cs2SnI6-based solar device with an inorganic configuration of FTO/NiO/Cs2SnI6/SnO2/Au has been developed, reaching the power conversion efficiency(PCE) of 28.69%. The study demonstrates that Cs2SnI6 PSCs exhibit promising photovoltaic performance, offering valuable insights for the solar energy sector in the production of cost-effective, efficient, and environmentally friendly Cs-based perovskite solar cells.

Examining the electronic, structural, optical, and photovoltaic capabilities of Sr3AsBr3 perovskite under tensile and compressive strains with DFT and SCAPS-1D

A significant amount of interest in the field of solar energy has recently been generated by the remarkable optical, structural, and electronic attributes of inorganic perovskite-based substances. A thorough investigation was conducted on how tensile along with compressive strains influence the electronic and optical properties of halide perovskite Sr3AsBr3, utilizing FP-DFT. The PBE functional is used to determine the direct bandgap of 1.512 eV for unstrained Sr3AsBr3 at the Γ position. The bandgap redshifts (1.216 eV at -4 % strain) under compressive strain and slightly increases (1.728 eV at +4 % strain) under tensile tension, causing the absorption coefficient to blueshift. The optical properties, including the functions of dielectric, electron energy loss function, and absorption coefficient, all indicate a considerable capacity for absorption in the area of the visible spectrum, and the band characteristics of this component agree with these qualities. We used Sr3AsBr3 absorbers and CdS electron transport layers (ETL) with different thicknesses, defect densities, and doping concentrations to study solar power capabilities using the SCAPS-1D simulator. The most effective arrangement (at -4 % strain) had a fill factor (FF) of 86.76 %, a short-circuit current density (JSC) of 37.5593 mAcm−2, an open-circuit voltage (VOC) of 0.8712 V, and a power conversion efficiency (PCE) of 28.39 %. Our findings support additional research into Sr3AsBr3, a promising perovskite for optoelectronic uses.

Mathematical modeling of various CdTe/CISSe based hetero-structure photovoltaic cells incorporating Si and CdS: using Scaps 1D simulator

Mathematical modeling of various CdTe/CISSe based hetero-structure photovoltaic cells incorporating Si and CdS: using Scaps 1D simulator

Investigating the influence of the Ag and Al co-doping in ZnO electron transport layer on the performance of organic-inorganic perovskite solar cells using experimentation and SCAPS-1D simulation

The sufficient material selection of electron transport layer (ETL) enormously promises exceptional conversion efficiency from perovskite (PVT) solar cells (PSCs), which in turn give rise to their rapid establishment in world-wide photovoltaic (PV) market. Among the tactics exerted on ETLs, and thus, intensifies the adequacy of associated PSCs, the methodology of doping stands productive. Therefore, this research validates the implementation of such effectual ETLs on widely approved methyl ammonium lead triiodide (MAPbI3)–based PSCs. The work brings together two versions of zinc oxide (ZnO) ETLs: one in its pristine form, and the other is aluminum (Al) co-doped with silver (Ag) represented as Ag-AZO. The investigation launches the PV capabilities of Ag-AZO ETL against its undoped correspondent. Accordingly, the earlier part of the investigation centers on the experimental assessment of ZnO and Ag-AZO nanoparticles (NPs) affirming their material and morphological aspects. Later, the research deals with the involvement of both NPs as ETLs signifying the PV potential of MAPbI3–based PSCs through comprehensive numerical analysis. The judgements of investigation declare that MAPbI3–based PSC with Ag-AZO ETL yields a desirable power conversion efficiency (PCE) of 27.26% against 25.98% from control cell. The investigation will definitely enlighten the development of forthcoming efficient PSCs incorporated with appropriate multiple metals co-doped ETLs.

Parametric optimization for the performance analysis of novel hybrid organo-perovskite solar cell via SCAPS-1D simulation

The perovskite and organic solar cells are becoming the most cognizant of the photovoltaic communities. The Spiro-OMeTAD organic hole transport layer (HTL) shows a significant impact on the CH3NH3SnI3 perovskite solar cell (PSC) with TiO2 as the electron transport layer (ETL). So, we optimized the physical and electrical parameters of the organic HTL. Electrical optimization shows that the power conversion efficiency (PCE) of the cell can reach up to 18.10% for the electron affinity of the organic HTL material of about 2.5eV. Further, the interpretation of the practical scale of series and shunt resistance reveals the maximum PCE of the cell as 13.30% at 0.5Ωcm2 and 1×106Ωcm2 respectively. Also, the performance of the cell is analyzed for the hole mobility of the organic HTL material, which revealed the best PCE of the cell to 13.31%. Moreover, the physical parameters are also optimized for the cell performance with illumination intensities which pointed out that the performance of the novel organic HTL perovskite solar cell is optimum for illumination intensity around 0.5Sun (500Wm-2). Finally, the overall light harnessing efficiency or PCE of the proposed solar cell is declared to be 13.30%, and the other performance parameters as open circuit voltage (Voc), short circuit current (Jsc), and fill factor (FF) are 0.764V, 25.86mAcm−2 and 67.29%, respectively.

Simulation of high efficiency hybrid FTO/TiO2/CH3NH3SnI3/RGO based solar cell using SCAPS-1D

A hybrid structure of fluorine-doped tin oxide (FTO)/titanium dioxide (TiO2)/methylammonium tin triiodide (CH3NH3SnI3)/reduced graphene oxide (RGO) based solar cell has been designed and simulated using SCAPS-1D simulation tool. The three layers of the solar cell have been organized like TiO2 acting as an electron transporting layer (ETL), CH3NH3SnI3 serving as the photon absorption layer, and reduced graphene oxide (RGO) acting as the hole transporting layer (HTL). The thickness of the ETL and HTL layers are maintained at 300 nm each. The absorption layer thickness has been optimized and kept at 450 nm to get enhanced efficiency. The experimental absorption data from the referred articles of the materials are incorporated with the simulation to obtain convincing result. Simulated device parameters, such as efficiency, open-circuit voltage, short-circuit current density, and fill factor have been found to be 19.30 %, 1.070 V, 41.66 mA/cm2, and 43.27 %, respectively at 300 K temperature. Moreover, a study of the absorption layer defect density (109–1017 cm−2) has also been conducted for the device, revealing an almost inverse proportionality with the efficiency of the device. In addition, the device FTO/TiO2/CH3NH3SnI3/RGO has been examined with the various temperature range from 270 K to 400 K. The device, with a high offset band structure and high mobility ETL and HTL layers, shows promising candidate for solar cell applications.

Performance and stability of different all-inorganic and hybrid organic-inorganic perovskites in p-n planar device structure FTO/SnO2/Perovskite/Cu2O/Carbon using SCAPS-1D simulation

Performance and stability of different all-inorganic and hybrid organic-inorganic perovskites in p-n planar device structure FTO/SnO2/Perovskite/Cu2O/Carbon using SCAPS-1D simulation

Machine learning driven performance for hole transport layer free carbon-based perovskite solar cells

The rapid advancement of machine learning (ML) technology across diverse domains has provided a framework for discovering and rationalising materials and photovoltaic devices. This study introduces a five-step methodology for implementing ML models in fabricating hole transport layer (HTL) free carbon-based PSCs (C-PSC). Our approach leverages various prevalent ML models, and we curated a comprehensive dataset of 700 data points using SCAPS-1D simulation, encompassing variations in the thickness of the electron transport layer (ETL) and perovskite layers, along with bandgap characteristics. Our results indicate that the ANN-based ML model exhibits superior predictive accuracy for C-PSC device parameters, achieving a low root mean square error (RMSE) of 0.028 and a high R-squared value of 0.954. The novelty of this work lies in its systematic use of ML to streamline the optimisation process, reducing the reliance on traditional trial-and-error methods and providing a deeper understanding of the interdependence of key device parameters.

Numerical optimization of lead-based and lead-free absorber materials for perovskite solar cell (PSC) architectures: A SCAPS-1D simulation

Numerical optimization of lead-based and lead-free absorber materials for perovskite solar cell (PSC) architectures: A SCAPS-1D simulation

Numerical investigation on non-toxic double perovskites A2(BB′)X6 for all-inorganic efficient photovoltaics

Presently, the Bi-based 3D A2(BB′)X6 double perovskites (DPs) show an excellent photovoltaic (PV) performance with ambient stability compared to Pb-based counterparts. The structural, electronic, and optical properties analyses of A2BiCuX6 (A=Cs, Rb, K, X=I, Br, Cl) DPs are performed by CASTEP software, and the Cs2BiCuI6 is found to be the best suitable absorber among all of them. The density of states calculation reveals that Cu-3d and X-p orbitals are the major contributors to valence band maxima (VBM), whereas Bi-6p orbitals are responsible for the contribution to conduction band minima (CBM). Using SCAPS-1D simulation tool, the impact of variation in thickness, defect density, mobility of charge carriers, series resistance (RS), shunt resistance (RSh), and device temperature on PV performance of the device has been analysed. The optimised all inorganic FTO/WS2/Cs2BiCuI6/MXene/Pt structured device has provided an excellent PV performance i.e., PCE of 31.25 %, FF of 82.71 %, VOC of 1.24 V, and JSC of 30.40 mA/cm2 using 2D structured ETL (WS2) and HTL (MXene). This analysis provides an advanced understanding of cheap, environmentally stable, easily obtainable Bi-Cu based DP counterparts, which can be used in the fabrication of PV cells practically.

Performance Impact of Lead-Free CsSn0.5Ge0.5I3 Based Perovskite Solar Cells with HTL-Free Incorporation.

Lead-containing halide perovskites show promise for solar energy but pose ecological and health risks. To address these, researchers are exploring inorganic binary metal perovskites. This study proposes an eco-friendly, durable hole transport layer (HTL)-free design of CsSn0.5Ge0.5I3 with high power conversion efficiency (PCE). Using the SCAPS-1D simulator, we assessed the efficiency of an HTL-free planar heterojunction, while the Density Functional Theory (DFT)-based CASTEP simulator evaluated the optical properties of CsSn0.5Ge0.5I3 in an orthorhombic structure. Key findings highlight enhanced performance under 100 Wm-2 AM 1.5G illumination by optimizing absorber layer thickness to 800 nm and reducing defect densities in both the perovskite absorber layer and interfaces to 1 × 1014 cm-3.Additonally, the effects of different electron transport materials (ETMs), optimization of electron transport layer (ETL) thickness (30-50 nm), and back contact design improvements were examined. The simulation's results included an increase over the highest values reported in the literature: an open circuit voltage (Voc) of 1.06 V, a short circuit current density (Jsc) of 28.52 mA/cm2, a fill factor (FF) of 86.57%, and a PCE of 26.18% for the FTO/Zn0.875Mg0.125O/CsSn0.5Ge0.5I3/Se perovskite solar cell (PSC). This research provides theoretical insights for developing high-efficiency power modules without HTLs with significant industrial and research potential.

Revealing the secrets of high performance lead-free CsSnCl3 based perovskite solar cell: A dive into DFT and SCAPS-1D numerical insights

In this study, a CsSnCl3/CBTS based hetero structure solar cell is proposed by incorporating effective ETLs like CBTS and HTLs built on C60. At first, electrical and optical properties of CsSnCl3 is determined with the help of DFT study. Those parameters are incorporated in SCAPS-1D to design the proposed solar cell. Numerical analysis demonstrates that heterostructures consisting of ITO/C60/CsSnCl3/CBTS/Au display remarkable photoconversion efficacy. In addition, the impact of CsSnCl3 thickness, series resistance, light conversion efficiency, also working temperature is investigated additionally to optimize the cell performance. Furthermore, the composed impacts of thickness of absorber and ETL, defect density, electron affinity (eV), absorption thickness, and doping are also explored. The SCAPS-1D simulation results, which show an ideal open-circuit voltage of 1.18 V, a short-circuit current density of 22.22 mA/cm2, a fill factor of 87 %, and an overall efficiency of 20.5 %, are in good agreement with both simulated and experimental data published in the literature. This thorough simulation analysis provides insightful information and identifies a viable path for future CsSnCl3-based solar cell development.

Advancements in CIGS/ZnS heterojunction solar cells: Experimental and numerical analysis

This study presents a comprehensive experimental investigation conducted on a CIGS-based solar cell incorporating a ZnS buffer layer. The primary objective was to determine key parameters of the CIGS/ZnS heterojunction, including parasitic resistances (Rs and Rsh), ideality factor (n), and barrier height (ϕB), using experimental current-voltage (I-V) characteristics over a temperature range of 150 K to 300 K under dark conditions. The heterojunction was modelled using a single-diode electrical circuit that accounted for parasitic resistances. Two methods were employed for parameter determination: direct analysis of the (I-V) curves and Cheung's method. Additionally, the charge transport mechanism within the heterojunction is investigated and discussed. Furthermore, the performance of the Al:ZnO/i:ZnO/ZnS/CIGS/Mo solar cell was assessed using the SCAPS-1D simulator, demonstrating an initial solar energy conversion efficiency of 15.01 %. To enhance this efficiency, a hole transport layer (HTL) was integrated between the back electrode and the absorber layer. Extensive studies were conducted to optimize the thickness and doping density of the HTL, including a comparative analysis of different materials used as HTLs. These optimizations resulted in a significant increase in conversion efficiency, reaching up to 28.68 %.

Boosting the effectiveness of a cutting-edge Ca3NCl3 perovskite solar cell by fine-tuning the hole transport layer

Ca3NCl3 has unique electrical and optical properties and shows great potential as an absorber for solar cells, offering a promising solution for enhancing efficiency and reducing costs. To determine the best device layout, this study uses a device combination of Ag/FTO/ETL/Ca3NCl3/HTL/Ni, including seven HTLs and one ETL with the SCAPS-1D simulator. To improve device configuration, consider variables including thickness, temperature, doping density, defect density, and series and shunt resistance. After optimizing device parameters, the Ag/FTO/SnS2/Ca3NCl3/MoO3/Ni device outperformed the other 6-HTLs (Cu2O, CuI, CuSCN, NiO, CuSbS2, and P3HT) based devices with a power conversion efficiency (PCE) of 28.13 %, an open circuit current (VOC) of 1.36 V, a short circuit current density (JSC) of 22.892 mA/cm2, and a fill factor (FF) of 90.36 %. This proposed solar cell has exceptional performance compared to conventional thin-film solar cells, highlighting Ca3NCl3 as an appealing solution for solar energy systems while reducing toxicity issues.

C60/CZTS Junction Combination to Improve the Efficiency of CZTS-Based Heterostructure Solar Cells: A Numerical Approach

This work presents a copper zinc tin sulfide (CZTS)-based solar cell structure (AI/ITO/C60/CZTS/SnS/Pt) with C60 as a buffer layer, developed using the SCAPS-1D simulator by optimizing each parameter to calculate the output. Optimizing the parameters, the acceptor concentration and thickness were altered from 6.0 × 1015 cm−3 to 6.0 × 1018 cm−3 and 1500 nm to 3000 nm, respectively. Although, in this simulator, we can tune the value for the acceptor concentration to 6.0 × 1022, higher doping might present an issue regarding adjustment in the physical experiment. Thus, tunable parameters need to be chosen according to the reliability of the experimental work. The defect density varied from 1.0 × 1014 cm−3 to 1.0 × 1017 cm−3 and the auger hole/electron capture coefficient was determined to be 1.0 × 10−26 cm6 s−1 for the maintenance of the minorities in theoretical to quasi-proper experimental measurements. Although the temperature was intended to be kept near room temperature, this parameter was varied from 290 K to 475 K to investigate the effects of the temperature on this cell. The optimization of the proposed structure resulted in a final acceptor concentration of 6.0 × 1018 cm−3 and a thickness of 3000 nm at a defect density of 1.0 × 1015 cm−3, which will help to satisfy the desired experimental performance. Satisfactory outcomes (VOC = 1.24 V, JSC = 27.03 mA/cm2, FF = 89.96%, η = 30.18%) were found compared to the previous analysis.