SCAPS-1D Simulator Research Articles

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.

Theoretical insights into high-efficiency BaZr0.96Ti0.04S3 chalcogenide perovskite solar cells using phthalocyanine HTLs

In this study, we employed SCAPS-1D simulation to design a novel BaZr0.96Ti0.04S3 chalcogenide perovskite (CP) solar cells (SCs) using metal phthalocyanines (MPc, where M=Cu, Ni, and Zn) HTLs. Through meticulous optimization of the material properties of the absorber and HTLs, we achieved impressive PCEs of 28.93 %, 28.88 %, and 30.12 % for CuPc, NiPc, and ZnPc, respectively. Besides, the optimization increased QE by about 7 % for CuPc and NiPc and ∼ 9 % for ZnPc. Furthermore, generation profiles indicated a significant enhancement in charge carrier production, and Nyquist plots showed higher recombination resistance. These results underscore the promising applicability of MPc in accomplishing high-efficiency BaZr0.96Ti0.04S3 CP SCs.

Design and optimization of (FA)2BiCuI6-based double perovskite solar cells using kesterite CBTS as hole transport layer for high power conversion and quantum efficiency

This work introduces the design of a novel architecture for double perovskite solar cells (DPSCs) utilizing (FA)2BiCuI6, known for its enhanced stability relative to single perovskite materials for production of efficient, ultra-thin solar cells. The proposed architecture features a unique device configuration of ITO/WO3/(FA)2BiCuI6/Cu2BaSnS4/W, incorporating a Kesterite type Cu-based quaternary chalcogenide material, Cu2BaSnS4 known as CBTS, is used as hole transport layer (HTL) with a bandgap of 1.9 eV, WO3 as the electron transport layer (ETL) with a 2.6 eV bandgap, and (FA)2BiCuI6 as the absorber layer with a 1.55 eV bandgap. The study provides an in-depth theoretical analysis of the energy band structure, defects, and quantum efficiency of the DPSC, highlighting the device’s post-optimization photovoltaic parameters. Remarkably, the optimized DPSC demonstrated superior performance with a PCE of 24.63%, Voc of 1.16 V, Jsc of 25.67 mA cm−2, and FF of 82.87%. The research also explores the effects of various factors on photovoltaic performance, including temperature, interface defect, and generation and recombination rates, as well as work function of back contact materials. The results underscore the exceptional potential of (FA)2BiCuI6, especially when combined with the HTL CBTS, in significantly reducing sheet resistance and enhancing the overall performance of solar cells. The design is validated using the SCAPS-1D simulation software tool.

Chalcogenide perovskites for solar energy applications: The role of Sn substitution in BaZrS3-based photovoltaic devices

This study investigates the photovoltaic potential of the chalcogenide perovskite BaZr1-xSnxS3, where x values of 0, 0.125, and 0.250 were chosen. The band gap of BaZrS3 (1.7 eV) is slightly larger than the optimal band gap for single-junction devices, and alloying with Sn has been explored to tune the band gap. The photovoltaic performance of devices with different absorber layers was simulated using the SCAPS-1D solar cell simulator software. The results show that the power conversion efficiency (PCE) increases with increasing Sn content, and the optimal PCE is achieved at x = 0.125. The effects of temperature, work function of the back contact, and band offset at the ETL/absorber and absorber/HTL interfaces on the device performance were also investigated. The results show that the PCE decreases with increasing temperature, and the optimal PCE is achieved at a back contact work function of 4.8 eV. The study shows that tailoring band offset at the ETL/absorber and absorber/HTL interfaces can lead to efficiencies about 20 %, highlighting BaZr1-xSnxS3 as a promising material for future high-efficiency solar photovoltaics.

Numerical Expedition on the Potential of AgBiS2-Based Thin Film Solar Cells Employing Different Carrier Transport Layers.

In this study, a photovoltaic (PV) device has been developed by using AgBiS2 as the key material. The simulation of the photovoltaic cell has been performed using the SCAPS-1D simulator to analyze the impact of each layer. The design incorporates three window layers, CdS, In2S3, and ZnSe, alongside six familiar compounds, AlSb, CuGaSe2 (CGS), CuS, MoS2, Sb2S3, and WSe2, as the back surface field (BSF) layers. These heterostructures aim to uncover the potential of AgBiS2 in the realm of photovoltaic technology. When AgBiS2 functions within a singular heterojunction, specifically in configurations such as n-CdS/p-AgBiS2, n-In2S3/p-AgBiS2, and n-ZnSe/p-AgBiS2, the resulting values for open-circuit voltage (V OC) and the short circuit current (J SC) are found to be ∼0.90 V and ∼32 mA/cm2, respectively, while the corresponding power conversion efficiencies (PCE) are 23.56%, 22.60%, and 23.62%, respectively. On the contrary, the incorporation of various BSF layers like AlSb, CGS, CuS, MoS2, Sb2S3, and WSe2 results in a substantial increase in V OC, leading to an enhancement in PCE. Among the AgBiS2 based different dual-heterostructures, the outstanding PCE of 30.04% with a V OC of 1.12 V is achieved by n-ZnSe/p-AgBiS2/p+-Sb2S3 device. In comparison, the n-ZnSe/p-AgBiS2/p+-CGS structure exhibits a similar PCE of 30.03% with a V OC of 1.12 V. Additionally, the n-ZnSe/p-AgBiS2/p+-MoS2 arrangement demonstrates a PCE of 29.95% and a V OC of 1.12 V. The effective band alignments observed at the interfaces of ZnSe/AgBiS2 and AgBiS2/MoS2, ZnSe/AgBiS2 and AgBiS2/CGS, as well as ZnSe/AgBiS2 and AgBiS2/Sb2S3 contribute to a substantial built-in potential, leading to an elevated V OC. As an alternative to ZnSe, the CdS window could offer similar performances, whereas In2S3 might provide a lower efficiency. The elaborate simulation findings highlight the substantial potential of AgBiS2 as an absorber, particularly when coupled with different windows and BSF layers. This opens avenues for experimental research focused on AgBiS2 in the era of photovoltaic cells.

Investigating novel perovskites of lead-free flexible solar cell CH3NH3BiI3 and their photovoltaic performance with efficiency over 26%

Perovskite solar cells are increasing attention due to their unique characteristics in the field of photovoltaic technology. Lead-based perovskite solar cells are particularly notable for their high efficiency. However, their commercial production is limited because of the use of lead-based absorbers. As a result, research has shifted towards exploring lead-free alternatives in the realm of perovskite materials. This study utilizes SCAPS-1D simulation software to optimize the performance of a lead-free flexible solar cell. Lead (Pb), a group 14 element, is proposed to be replaced by bismuth (Bi), a group 15 element. We investigate how the selection of configurations for the Electron Transport Layer (ETL), Hole Transport Layer (HTL), and absorber layer impacts solar cell performance. This study represents a comprehensive examination of this material. The device optimization involves using a fluorine-doped tin oxide (FTO) substrate, cadmium sulfide (CdS), tungsten disulfide (WS2), titanium dioxide (TiO2), and fullerene (C60) as ETL components, methyl ammonium bismuth iodide (CH3NH3BiI3) as the absorber, molybdenum disulfide (MoS2) as the HTL, and platinum (Pt) as the electrode. In addition to optimizing ETL and HTL configurations, this study explores the effects of various factors such as absorber, ETL, and HTL thickness, shunt and series resistance, temperature variations, Mott-Schottky behavior, capacitance, recombination, generation rates, J-V characteristics, and quantum energy. The results show that the solar cell configuration using FTO/CdS/CH3NH3BiI3/MoS2/Pt achieves an efficiency of 26.60 %, a current density (JSC) of 32.02 mA/cm2, an open circuit voltage (VOC) of 0.974 V, and a fill factor (FF) of 85.24 %. This represents a significant improvement compared to previous research. This detailed simulation analysis enables researchers to develop cost-effective and highly efficient perovskite solar cells (PSCs), driving advancements in solar technology.

Tuning the hole transport layer in the Ca3SbI3 absorber-based solar cells to improve the power conversion efficiency

The renewable energy field has been demonstrating a significant deal of interest in lead (Pb)-free inorganic halide perovskites because of their remarkable optical, mechanical, electrical, and structural properties. Investigators have been studying Ca3SbI3-based single junction photovoltaic cells in various layouts, such as an electron transport layer (ETL) constructed of SnS2 and three distinct hole transport layers (HTL) constructed of MoO3, CBTS, and Cu2O. We extensively analyzed various factors using SCAPS-1D simulation software, delving into aspects like the alignment of bands, layer thickness, defect levels, doping levels, interface defects, carrier concentrations, generation, recombination, voltage at the open circuit (VOC), current at the short circuit (JSC), fill factor (FF), and the efficiency of power conversion (PCE) using mathematical methods. The study states that the Cu2O HTL design reached its highest efficiency at 31.65 %, with an open circuit voltage (VOC) of 1.5013 V, a short circuit current (JSC) of 24.036941 mAcm−2, and a fill factor (FF) of 87.71 % and the CBTS HTL setup achieved a slightly lower efficiency of 29.43 %, with a VOC of 1.3946 V, a JSC of 24.05685 mA/cm2, and the value of an FF is 87.71 %. Conversely, the MoO3 HTL design efficiency at 24.7 %, with an open circuit voltage (VOC) of 1.2530 V, a short circuit current (JSC) of 22.846937 mAcm−2, and a fill factor (FF) of 86.29 % These findings offer valuable insights and a practical approach for developing affordable thin-film photovoltaic cells based on Ca3SbI3.

Numerical optimization and efficiency analysis of Sn-based perovskite-on-silicon tandem solar cells with various TCO materials using SCAPS-1D simulation

Numerical optimization and efficiency analysis of Sn-based perovskite-on-silicon tandem solar cells with various TCO materials using SCAPS-1D simulation

MoS2 augmentation in CZTS solar cells: Detailed experimental and simulation analysis

This study investigates the optimization of CZTS-based thin-film solar cells through the incorporation of MoS2 as an interfacial layer. Using SCAPS-1D simulation software, we analyzed the effects of layer thicknesses, carrier concentrations, and defect densities on device performance. The optimized CZTS (100 nm)/ MoS2(1000 nm)/ CdS(100 nm)/ ZnO(50 nm) structure demonstrated a significant efficiency increase to 19.01 % compared to 17.03 % for the CZTS (1100 nm)/ CdS(100 nm)/ ZnO(50 nm) cell. Key improvements include enhanced charge generation, quantum efficiency, and balanced carrier transport.Materials were synthesized using microwave-assisted methods and characterized by XRD and UV–vis spectroscopy. XRD confirmed the desired crystal structures, while optical bandgaps of 1.5 eV (CZTS), 1.3 eV (MoS2), 2.4 eV (CdS), and 3.3 eV (ZnO) were determined. Practical solar cells were fabricated using spin-coating techniques, with thicknesses of CZTS (122 nm)/ MoS2 (1038 nm)/ CdS(130 nm)/ ZnO(94 nm). While showing improved performance with the MoS2 layer, efficiencies were lower than simulated values due to fabrication-related defects. The best experimental cell achieved 1.89 % efficiency, compared to 1.38 % without MoS2.This research demonstrates the potential of MoS2 as an effective interfacial layer in CZTS solar cells, providing insights into optimizing layer properties for enhanced performance. The study also highlights the challenges in translating simulated improvements to practical devices, emphasizing the need for advanced fabrication techniques to minimize defects and maximize efficiency.

A comprehensive study on electron and hole transport layers for designing and optimizing the efficiency of MoSe2-Based solar cells using numerical simulation techniques

Researchers have recently shown a great deal of interest in molybdenum diselenide (MoSe2)-based solar cells due to their outstanding semiconducting characteristics. However, discrepancies in the band arrangement at the MoSe2/ETL (electron transport layer) and hole transport layer (HTL)/MoSe2 interfaces impede performances. In this research, a device combination with Ag/FTO/ETL/MoSe2/HTL/Ni is employed, where 7 HTLs and 3 different ETLs have been utilized to explore which device arrangement is superior. To achieve the most effective device arrangement, the effects of various device variables, such as thickness, donor density, acceptor density, defect density, temperature, series, and shunt resistance, are optimized. The computational evaluation under AM 1.5 light spectrums (100 mW/cm2) is performed using the SCAPS-1D simulator. When the several device parameters were optimized, the device that was correlated with Ag/FTO/SnS2/MoSe2/V2O5/Ni revealed the highest overall performances among the three different ETL (In2S3, SnS2, ZnSe)-based devices, with measuring a PCE of 34.07 %, a VOC of 0.918 V, a JSC of 42.565 mAcm−2, and an FF of 87.19 %. This recommended MoSe2-based solar cell exhibits outstanding efficiency in terms of maintenance and comparison to numerical thin film solar cells, highlighting MoSe2 as an attractive option for solar energy systems while eliminating toxicity challenges.

Exploring potential of lead-free KSn0.5Ge0.5I3 based perovskite solar cell: A combined first-principle DFT and SCAPS-1D study

Perovskite solar cells present a promising alternative to conventional silicon or lead-based solar cells, offering a synergistic blend of cost-effectiveness and potential for elevated power conversion efficiency. We investigated the potential of an innovative KSn0.5Ge0.5I3-based perovskite solar cell (PSC) using density functional theory (DFT) and SCAPS-1D simulation studies. Computational analysis via DFT probed the crystal structure, elastic, mechanical, and optoelectronic properties of KSn0.5Ge0.5I3. Tolerance factor computation (0.94) and negative formation energy (-3.16 eV) affirmed the thermodynamic stability of the orthorhombic phase in KSn0.5Ge0.5I3. Optical variables including refractive index, absorption coefficient, dielectric function, optical loss, and reflectivity, were computed to explore KSn0.5Ge0.5I3 viability in PV applications. Band structure analysis, density of states (DOS), and projected density of states (PDOS) have been used to determine the band gap (∼1.87 eV), effective masses, and mobility of e-/h+. We have conducted SCAPS-1D simulation for diverse PSCs configurations using various holes transport layers (HTLs) and electron transport layers (ETLs), identified IGZO (Eg = 3.05 eV) as a proficient ETL while CuSbS2 (Eg = 1.58 eV) as an effective HTL. A comprehensive investigation of parameters such as absorber layer thickness, shunt and series resistance, donor and acceptor density, absorber defect density, back contact metal, temperature, and interface characteristics was undertaken, and the impact on PV device performances was assessed through current-voltage (IV) and quantum efficiency (Q.E) characteristics curves. These findings underscore the potential of KSn0.5Ge0.5I3 as a promising material for PSCs, offering a sustainable and eco-friendly avenue for future renewable energy.

Improving the efficiency above 35 % of MoS2-based solar cells by through optimization of various wide-bandgap S-chalcogenides ETL

Molybdenum disulfide (MoS2)-based photovoltaic cells are increasingly attracting researchers’ due to their outstanding semiconducting properties. Single junction MoS2 based solar cell have been investigated with three distinct electron transport layer (ETL) layers made of SnS2, In2S3 and ZnSe in detail with and without back surface field (BSF). A thorough numerical analysis has been conducted of the effects of band alignment, defect density, absorber layer thickness, buffer layer thickness, interface defect density, electron and hole concentration, generation and recombination, open circuit voltage (VOC), short circuit current (JSC), fill factor (FF), and power conversion efficiency (PCE) via SCAPS-1D simulation software. The MoS2 based solar cell produced the photo conversion efficiency (PCE) of 24.77 % with VOC of 0.913 V, JSC of 31.274 mA/cm2, and FF of 86.77 % without BSF. On the other hand, after in depth analysis, according to simulation results, SnS2 ETL produced the highest PCE of 35.60 % than ZnSe(33.56 %) and In2S3(34.94 %) ETL with VOC of 1.07 V, JSC of 37.55 mA/cm2, and FF of 88.80 % with inserting only 30 nm V2O5 BSF layer. The suggested research might provide information and a workable strategy for producing a MoS2-based thin-film solar cell that is affordable.

Novel dual absorber configuration for eco-friendly perovskite solar cells: design, numerical investigations and performance of ITO-C60-MASnI3-RbGeI3-Cu2O-Au

Perovskite solar cells (PSCs) are increasingly being used as the foundation of the worldwide photovoltaic (PV) industry because of their cost-effective production and durable stability. Perovskite materials, both organic and inorganic, possess distinct optical, mechanical, and electrical properties, such as a high absorption coefficient, a customizable band gap, and a synthesis method based on solutions. This study employed numerical investigations to devise and propose innovative solar cell configurations utilizing the SCAPS-1D simulator. This research presents a Perovskite solar cell design comprising an ITO-C60-MASnI3-RbGeI3-Cu2O-Au solar cell configuration. The unique arrangement of this setup incorporates the use of Indium Tin-oxide (ITO) as the upper contact layer, which is directly exposed to light. The electron transport layer (ETL) is composed of a 0.030 μm thick layer of C60, while the light-harvesting/absorber layers are made up of MASnI3 and RbGeI3, each with a thickness of 0.4 µm. A layer of Cu2O with a thickness of 0.12 μm is employed as the hole transport layer (HTL), whereas the back-contact layer consists of Au. A comparison research was conducted to examine the optimal device configuration. Comprehensive studies are performed to assess the effects of different variables on optimized device performance and power conversion efficiency (PCE). These factors include interface defect densities, thicknesses of different structural layers, band gaps, series and shunt resistance, and operational temperature. The current density (Jsc) is calculated as 32.7 mA/cm2 at an open circuit voltage (Voc) of 0.914 V. Additionally, we observed a power conservation efficiency (PCE) of 20.19 % and an improved fill factor (FF) value of 65.49 %. The ongoing investigations are likely to be valuable for the development and production of cost-effective and high-performance PSCs.

Exploration HTL-Free all inorganic mixed halide perovskite solar cells: effects of 4-ADPA passivation

The incredible PV performance of thin-film perovskite solar cells has garnered the attention of researchers. Mixed halide perovskite outweighs pure halide perovskite in its ability to optimize PV performance while performing material composition engineering. All inorganic mixed halide (AIMH) perovskite CsPbI2Br has shown stable performance against thermal variations. This study mainly highlights the performance of HTL (Hole transport layer) free, passivated solar cell structure with utilization of the SCAPS-1D simulator. The inclusion of passivation layer 4-ADPA(4-aminodiphenylamine) between active layer CsPbI2Br and the end electrode mitigates the occurrence of charge carrier recombination. The thickness of passivation layer 4-ADPA is optimized for the range 100 nm–1000 nm, and 100 nm is decided as the optimum width based on the evaluated PV performance of SnO2/CsPbI2Br/4-ADPA/anode. 4-ADPA layer with an optimum thickness of 100 nm, is embedded with a CsPbI2Br layer, and the performance of solar cell has been investigated under the collective impact of BDD (bulk defect density)/thickness of CsPbI2Br for the range (1012 cm−3 to 1018 cm−3)/(50 nm to 500 nm) respectively. Further, this study investigated the capacitance–voltage (C-V), Mott—Schottky (1/C2), and Nyquist plot (C-F) performance of solar cells under the influence of only BDD for two cell configurations (corresponding to maximum and minimum delivered PCE i.e., thickness/BDD is 200 nm/1012 cm−3 and 500 nm/1018 cm−3 respectively). The highest 13.27% of PCE is extracted from HTL-free, 4-ADPA passivated all inorganic PSC, at 200 nm/1012 cm−3 of thickness/BDD respectively. This technique encourages researchers to explore more cost-effective, HTL-free passivated solar cell structures.

The significance of bilayer window (CdS:O/CdS) on the performance of CdTe thin film solar cells

Ultrathin and compact CdS:O/CdS bilayer window in CdTe solar cells has higher potential for enhanced p-type doping, reduced Te diffusion, and improved power conversion efficiency (PCE) compared to traditional single-layer CdS or CdS:O windows. In this effort, we used a two-gun RF sputtering equipment to deposit compact CdS:O (∼50 nm)/CdS(∼50 nm) bilayers onto the borosilicate and ITO-coated glass substrates at low temperature (≤250 °C). Intriguingly CdS:O/CdS bilayers retain its hexagonal {0002} preferential orientation but with around 10.58 % optical bandgap (Eg) increment compared to CdS (Eg ≈ 2.32 eV) of equal thickness (∼100 nm). Close-spaced sublimation (CSS) technique was used to deposit the CdTe thin film onto the CdS and CdS:O/CdS layers at 650 °C. The effect of CdS and CdS:O/CdS layers on the microstructural and morphological features of CdCl2-treated CdTe films were critically analyzed in revealing a promising {0001}/{111}-like partial-epitaxy presumably due to the preferential cubic CdTe growth along the <111> orientation. The CdTe films grown over a CdS:O/CdS layer exhibited smaller average crystallite and grain sizes than those grown over a single CdS layer. An essential finding was the formation of an optimal intermix layer of CdSxTe1-x, particularly evident in the CdTe films grown on the CdS:O/CdS bilayer. To comprehensively explore the effect of CdS:O/CdS window layers on PCE, complete CdTe solar cells were fabricated using three different window layers: CdS, CdS:O, and CdS:O/CdS, which are all considered as rudimentary as no layer optimization was performed. Notably, CdTe solar cell that incorporates the CdS:O/CdS bilayer window exhibited the most promising performance among all the tested rudimentary cells and corroborated the numerically simulated findings conducted by the SCAPS-1D simulator.