Simulation Of Solar Cells Research Articles

Performance analysis and optimization of SnSe thin-film solar cell with Cu2O HTL through a combination of SCAPS-1D and machine learning approaches

Tin selenide (SnSe) is an auspicious light-harvesting material in photovoltaic (PV) technology due to its larger absorption coefficients and earth-abundance nature. However, because of the potential difficulty of defect-free fabrication, and non-optimized electron transport layer (ETL) and hole transport layer (HTL) alignment, it could no longer achieve its realistic objectives. Therefore, designing a suitable SnSe-based PV device with an appropriate ETL and HTL is crucial to achieving optimum performance. In this research, we proposed a novel heterojunction thin-film solar cell (TFSC) configuration of Ni/Cu2O/SnSe/WS2/FTO/Al and simulated its PV performance metrics using SCAPS-1D solar cell simulation software. This research additionally provided a comparative performance analysis of the SnSe TFSC with numerous ETLs and HTLs. It is evident that the suggested TFSC with WS2 ETL and Cu2O HTL creates appropriate band alignment with the SnSe light harvesting layer, which reduces charge recombination at both the ETL/absorber and absorber/HTL interfaces. Here, the impact of absorber layer thickness, doping concentration, bulk defect density, and defect density at the ETL/absorber and absorber/HTL interfaces is investigated. Besides, the impact of radiative recombination, back contact metal work function, and working temperature are carefully examined. After optimization of all the material properties, a maximum efficiency of 29.31 % with open circuit voltage (Voc) of 0.89 V, short circuit current density (Jsc) of 38.23 mA/cm2, and fill-factor (FF) of 86.30 % were attained for the SnSe-based proposed structure. Furthermore, a supervised linear regression machine learning algorithm is employed to investigate how the behavior of the material attributes affects the solar cell's designed PV performance. Overall, our findings can be helpful to experimentalists to fabricate inexpensive, highly efficient, and Cd-free SnSe-based heterostructure solar cells in the near future.

Performance Enhancement of SnS Solar Cell with Tungsten Disulfide Electron Transport Layer and Molybdenum Trioxide Hole Transport Layer

Herein, a new heterojunction photovoltaic (PV) device is designed by incorporating molybdenum trioxide (MoO3) as a hole transport layer (HTL), tin sulfide (SnS) as an absorber, and tungsten disulfide (WS2) as an electron transport layer (ETL). The PV outputs of the proposed thin‐film solar cell (TFSC) of Ni/MoO3/SnS/WS2/FTO/Al are investigated using the widely used solar cell simulator (SCAPS‐1D). It is found that the SnS TFSC with suitable band alignments at both the SnS/WS2 and MoO3/SnS interfaces gives better photoconversion efficiency than the conventional one. To optimize the material properties, the performance parameters, including open‐circuit voltage (Voc), short‐circuit current density (Jsc), fill factor (FF), and efficiency, have been calculated by varying the influences of the material's thickness, doping concentration, bulk and interface defect densities, operational temperature, and work function of back‐contact. At optimized thicknesses of 0.1 μm for MoO3 HTL and 1.0 μm for SnS absorber, the efficiency is estimated to be 30.42% with Voc of 1.02 V, Jsc of 34.38 mA cm−2, and FF of 87.04% for the suggested TFSC. These outcomes imply that the nontoxic MoO3 and WS2 materials can be applied as HTL and ETL into the inexpensive, highly efficient, and environmentally friendly SnS‐based PV cell.

Optical simulation of triple-junction tandem solar cell based on SnO2 core nanowire array embedded in CZTSe, Cs2SnI6 and CuAlxIn1−xTe2 layers in bottom, middle and top cells, respectively

Optical simulation of triple-junction tandem solar cell based on SnO2 core nanowire array embedded in CZTSe, Cs2SnI6 and CuAlxIn1−xTe2 layers in bottom, middle and top cells, respectively

Design and simulation of bifacial perovskite solar cell with high efficiency using cubic plasmonic nanoparticles

Bifacial perovskite solar cells (Bi-PSCs) are gaining attention for their ability to exceed the efficiency limits of traditional single-junction cells by absorbing light from both the front and rear surfaces. This study explores a novel approach to boost the efficiency and stability of Bi-PSCs by integrating clusters of cubic metallic nanoparticles (NPs) within the absorber layer. These plasmonic NPs, embedded in the middle of the absorber layer, significantly enhance light absorption, resulting in substantial improvements in power conversion efficiency for both front and rear irradiation. Our three-dimensional simulations demonstrate that incorporating Ag-based NPs can achieve efficiency enhancements of 29.89 % (from 18 % to 23.39 %) for front irradiation and 29.63 % (from 17.22 % to 22.33 %) for rear irradiation. Ag-based NPs exhibit the most notable efficiency improvement, reaching a short-circuit current of 41.30 mA/cm2 and an efficiency of 35.34 % at an albedo of 0.5. To address potential issues such as corrosion and degradation of the perovskite material, the metallic NPs are encapsulated with a thin dielectric nano-shell of SiO₂. This encapsulation strategy effectively prevents degradation, ensuring the long-term stability of the Bi-PSCs. The results indicate that the use of clusters of cubic metallic NPs, combined with dielectric encapsulation, offers a superior approach to optimizing the performance and stability of Bi-PSCs, providing a more efficient alternative to increasing the absorber layer’s thickness.

Simulation of the absorber layer thickness variation in SnS solar cells using Matlab

The study of thin-film solar cells based on tin sulphide is becoming increasingly relevant due to its advantages over similar technologies, such as its low cost, toxicity, and the fact that its constituent elements are more abundant in the earth's crust; besides, they could be made by thigh vacuum techniques like thermal spraying, sputtering, co-evaporation, or thermal evaporation. On the other hand, Simulations allow modelling of the behaviour of solar cells to understand the processes and improve the device's efficiency. Therefore, in this work, the simulation process is carried out using mathematical models that represent the physical behaviour of the solar cell made of heterojunction of several thin films with ZnO/ZnS/SnS configuration. Two radiation models were evaluated, one using a theoretical equation and the other with data from the incident radiation. Until today, different simulations of solar cells have been carried out mainly using a Solar Cell Capacitance Simulator (SCAPS); however, this research was developed using MATLAB due to its performance and efficiency. The optimal thickness of the absorbent layer was established from the results obtained for open circuit voltage (Voc), short circuit current density (Jsc), fill factor and conversion efficiency (n).

Numerical simulation of all inorganic CsPbIBr2 perovskite solar cells with diverse charge transport layers using DFT and SCAPS-1D frameworks

All inorganic CsPbX3 perovskites (X = Br and I) are excellent candidates for stable and efficient perovskite solar cells (PSCs). Among them, CsPbIBr2 demonstrated the most balanced characteristics in terms of band gap and stability. Nevertheless, the power conversion efficiency (PCE) of CsPbIBr2-based solar cells is still far from that of Hybrid PSCs, and more research is required in this aspect. Herein, DFT and SCAPS-1D frameworks are employed to explore the optimized device configurations of CsPbIBr2 PSCs. DFT is used to explore the structural and optoelectronic characteristics of CsPbIBr2, while SCAPS-1D is employed to examine various device structures of CsPbIBr2-based PSCs. The band structure demonstrated the direct band gap nature of CsPbIBr2 with a band gap of 2.12 eV. Moreover, we have used TiO2, SnO2, ZnO, WS2, IGZO, CeO2, In2S3, and CdS as ETLs, and Cu2O, CuI, MoO3, NiO, CuSCN, CuSbS2, CBTS, CFTS, and CuO as HTLs for identifying the best ETL/CsPbIBr2/HTL configurations. Among 72 device combinations, eight sets of PSCs are identified as the most efficient configurations. In addition, the influence of various parameters like the thickness of various layers, doping concentration, perovskite defect density, ETLs and interfaces, series resistances, shunt resistances, and temperature on device performance have been comprehensively studied. The results demonstrate Cu2O as the best HTL for CsPbIBr2 with each ETL, and PSC with device structure ITO/WS2/CsPbIBr2/Cu2O/C exhibited the highest PCE of 16.53%. This comprehensive investigation will provide new path for the development of highly efficient all-inorganic CsPbIBr2 solar cells.

Simulation and analysis of solar cells based on InN/p-Si: influence on thickness, doping concentration, and temperature dependence

ABSTRACT The current research project intends to enhance solar cells' power and conversion efficiency based on InN/p-Si utilizing the PC1D simulator. A broad direct bandgap of Indium nitride (0.65 eV) makes it suitable for various applications. The InN-based solar cells show an excellent candidate for generating a higher efficiency device, incorporating well-established silicon substrate technology. The open-source PC1D is well-known software for simulating future solar devices without the need to fabricate real devices. The simulated area was adjusted to 10 cm2. The Si substrate and InN layer thicknesses were designed to be 350 μm and 1×10-3 μm, respectively. The n- and p-regions have doping concentrations of 1×1021 cm-3 and 1×1017 cm-3, respectively. This work analyses the influence of geometrical and technological aspects such as both n-p regions thickness, doping concentrations, and temperature dependency to enhance the conversion efficiency of these structures under the AM1.5G solar spectrum with intensity 0.1 W/cm2. It has been demonstrated that the growth of high-quality InN layers and p-type doping persists to be problematic. It appears challenging to find the most suitable material substrate for InN solar. To produce compatible solar cells with simple structures and cost-effective, however, extremely thin layers of n-layer material are required due to the high absorption coefficient of type III-nitrides. The results illustrate that by adjusting the optimized parameter at room temperature to the lowest temperature (200 K), the solar efficiency may increase up from 19.18% to 27.67%.

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.

Enhancing efficiency and stability of perovskite solar cells with Bi2Te3 interlayer: insights from SCAPS simulation

Perovskite solar cells (PSCs) have gained much interest due to their high power conversion efficiencies (PCE). Affordable, accessible, and efficient solar energy is crucial for a sustainable and clean future. In this article, we optimized PSC efficiency and performance with an interlayer (IL) of Bi2Te3 (BT). Cell performance and efficiency were improved by incorporating BT IL with varied thicknesses. BT IL promotes electron transport while protecting the underlying structure from chemical instability, improving device performance. This simple and low-cost technology for producing efficient and stable all-inorganic PSC holds considerable potential as a next-generation renewable energy source. The main focus is optimizing all-inorganic PSC using Solar Cell Simulator Capacitance software (SCAPS). We systematically explore the influence of BT thickness and defect densities on the device performance. The impact of charge carrier transport and overall photovoltaic performance is studied. Our findings reveal that introducing the BT IL leads to improved charge extraction, reduced recombination losses, and enhanced stability in the PSC. The optimized device configuration significantly enhances PCE compared to reference devices without BT IL. This study provides valuable insights into the potential use of BT ILs as a strategy to boost the efficiency and stability of PSCs.

Design and simulation of BeSiP2-based high-performance solar cell and photosensor

This research composition provides a novel as well as non-toxic chalcopyrite-category BeSiP2 (BSP) compound-based structure that is inspected by a solar cell capacitance simulator software (SCAPS-1D) and this structure can be used for both solar cell (SC) and photosensor (PS) industries. In this structure, indium sulphide (In2S3) and molybdenum sulphide (MoS2) are exploited as window and back surface field (BSF) layers. By arranging the BSP-based photonic (photosensor and solar cell) structure, the optimized condition of different layers has been determined. Without the MoS2 layer, the value of SC and PS performance parameters are JSC of 29.75 mA/cm2, VOC of 0.84 V, FF of 83.96 %, PCE of 20.97 %, R of 0.51 AW−1 and D* of 1.68 × 1015 Jones. But with a thin MoS2 layer, the SC and PS performance parameters of the BSP compound-based photonic gadget (PG) progress meaningfully. The progress of SC and PS parameters are JSC of 34.44 mA/cm2, VOC of 0.99 V, FF of 87.45 %, PCE of 29.83 %, R of 0.64 AW−1 and D∗ of 3.63 × 1016 Jones, separately. These findings exhibit that BSP-based structure can be used for both solar cell and photodetector devices, which could be highly efficient and cost-effective fabrication in photonic industries.

Systematic Modeling and Optimization for High‐Efficiency Interdigitated Back‐Contact Crystalline Silicon Solar Cells

This study utilizes Quokka3, an advanced solar cell simulation program, specifically tailored for interdigitated back‐contact (IBC) crystalline silicon (c‐Si) solar cells. Through meticulous Quokka3 simulations, the influence of several geometric and wafer characteristics of the solar cell backside on current–voltage (I–V) performance has been scientifically explored for IBC c‐Si solar cells. The investigation encompasses parameters such as wafer thickness, bulk lifetime, resistivity, emitter and back surface field area fraction, and front‐ and rear‐surface passivation. Optimal values for these parameters have been proposed to enhance the efficiency of IBC solar cells. These recommendations contain an emitter percentage of 70%, a wafer thickness ranging from 200 μm, a wafer resistivity of 1 Ω cm, and a wafer bulk lifetime of at least 10 ms. Moreover, under conditions where the cell is not short‐circuited, the potential for achieving higher cell efficiency, up to 26.64%, has been shown.

Simulation of novel CFTS solar cells with SCAPS-1D software

Simulation of novel CFTS solar cells with SCAPS-1D software

Comprehensive study on the physical properties of CuO-ZnO thin films: Insights into solar cell simulation

Metal oxide semiconductors have long been utilized in various optoelectronic applications, including solar cells, photocatalysis, and Schottky diodes. However, these materials often encounter challenges, prompting the exploration of alternative thin-film structures composed of non-toxic and cost-effective materials. One such promising system is the Coupled Oxide Systems (COS), exemplified by CuO-ZnO (CZO). Despite the potential of COS, comprehensive studies on their synthesis and optimization remain limited. Here, we investigate the physical and optical properties of CZO thin films, confirming successful synthesis and highlighting their potential as alternatives to conventional materials like CIGS and CdTe. In the second part, we explore a novel solar cell structure, FTO/ZnO/X/CuO-ZnO/Mo, with various buffer layer options (CdS, ZnS, Zn0.38Ge0.62O, SnS2, and [Al0.025Ga0.975]2O3). Our results reveal that the solar cell with CdS as the buffer layer exhibits the highest efficiency. This work not only summarizes the fundamental principles governing the optoelectronic properties of materials but also elucidates critical strategies for fabricating high-efficiency solar cells. Furthermore, we have conducted a comparative analysis involving 70 different solar cell structures. Additionally, we discuss potential strategies for the next generation of solar cells to further enhance power conversion efficiency (PCE).

TCAD simulation of germanium-based heterostructure solar cell employing molybdenum oxide as a hole-selective layer

Molybdenum Oxide (MoO x ) has been used as a hole-extraction film for photovoltaic (PV) applications; however, its interaction with Germanium (Ge)-based solar cells is less understood. For the first time, this paper aims to physically model the Ge solar cell that incorporates MoO x for hole transportation at the front side of the PV device facing the sunlight. However, the charge transportation process within the PV device is influenced by several design parameters that need optimization. A higher work function of MoO x increases the barrier height against minority carriers of electrons which is beneficial for extricating holes at the front interface of MoO x /Ge. A progressive reduction in the recombination of charge carriers has been observed by including a passivation layer of amorphous silicon (i-a-Si:H). Similarly, inserting a passivation and back surface field (BSF) stack of i-a-Si:H strengthens the electric field and likewise reduces the recombination at the rear side of the device. An enhanced doping concentration of BSF assists in the favorable alignment of energy bands for improved charge transportation within the solar cell as the rear passivation maintains the field strength for accelerated movement of charge carriers. However, optimizing the thickness of the front-passivation film is challenging due to the parasitic absorption of light at larger thicknesses. A comparative study with the reference device revealed that the proposed device exhibited a step-increase in the conversion efficiency (η) from 4.23% to 13.10%, with a higher J sc of 46.4 mA cm−2, V oc of 383 mV, and FF of 74%. The proposed study is anticipated to meet the research gap in the physical device modelling of Ge-based solar cells employing high work function MoO x as a carrier-selective layer that could be conducive to the development of highly efficient multijunction solar cells.

Ion Implantation‐Induced Bandgap Modifications in the ALD TiO2 Thin Films

Atomic layer deposited (ALD) TiO2 layers are implanted with N, O, and Ar ions to reduce the bandgap, thereby increasing its absorbance in the visible region. The implantation is accomplished with 40 keV nitrogen, 45 keV oxygen, and 110 keV argon ions in the fluence range 1 × 1015 to 5.6 × 1016 ions cm−2. The energy of each incident ion is tuned using stopping and range of ions in matter (SRIM) to produce defects around the same projected range. The structural analysis of the as‐deposited film is performed through X‐ray diffraction (XRD), scanning electron microscopy (SEM), Rutherford backscattering (RBS), and time of flight elastic recoil detection analysis (ToF‐ERDA). The implanted layers are characterized using diffuse reflectance spectroscopy (DRS) and Fourier transform infrared spectroscopy (FTIR) to study the optical and vibrational properties of the films. The results demonstrate that nitrogen implantation in TiO2 reduces the reflectance from 43.52% to 26.31% and bandgap from 2.68 to 2.61 eV, making it a promising bandgap‐engineered material for capping layers in solar cell applications. The refractive index of the 40 keV nitrogen ion implanted film at 1 × 1016 ions cm−2 (N‐16) increases from ≈2.8 to ≈2.95. OPAL2 solar cell simulations show that the N‐16 implanted TiO2 anti‐reflective coatings (ARC) can enhance the absorbed photocurrent by 7.3%.

SCAPS-1D simulation and First-principles calculation of CsSnCl3 hole transport layer-free perovskite solar cells based on gradient doping

As the photovoltaic industry continues to evolve perovskite materials that are inorganic, non-toxic, and do not require a hole transport layer are particularly promising. However, such perovskite solar cells (PSCs) generally do not perform well. Therefore, we propose a gradient doped CsSnCl3 PSCs without hole transport layer (HTL) and investigate the optical and electrical properties of its absorption layer using first principles calculations. We further simulate and optimize this PSCs using SCAPS-1D software, focusing on various factors such as charge transport layer materials, perovskite layer thickness, doping concentration, and working temperature. Our comprehensive analysis also takes changes in the internal electric field and band structure in consideration. The study's results demonstrate that gradient doping creates an additional electric field, significantly improving the solar cell's photovoltaic conversion efficiency. When G=100, even with only two sublayers of gradient doping, a considerable performance boost is observed. The performance of optimized device is as follows: Voc = 1.1841 V, Jsc = 30.13298 mA/cm2, FF = 90.08 %, and PCE = 32.14 %. Compared with the initial PSC's efficiency of 13.93 %, it has significantly improved by 130.7 %. This research provides unique insights and guidance for the future design and manufacture of efficient, all-inorganic, non-toxic PSCs HTL-free.

Analysis and design of 25.3% efficient Sb2Se3 solar cells by numerical simulation

Sb2Se3 has a high absorption coefficient of 105 cm−1 in the visible light range, which is an excellent absorber layer material. Currently, a better band alignment between conventional CdS and Sb2Se3 has led to the widespread adoption of CdS as the electron transport layer (ETL) in Sb2Se3 solar cells. However, CdS is toxic, necessitating the exploration of alternative ETL materials that are eco-friendly and possess an appropriate energy band with Sb2Se3. In this study, we endeavor to pioneer an all-inorganic, green solar cell structure of Au/MoS2/Sb2Se3/WS2/ITO by employing MoS2 as the hole transport layer (HTL) and WS2 as the ETL. We primarily optimized Sb2Se3 thickness and its hole doping concentration (NA) by SCAPS-1D numerical simulation. Based on the analysis of built-in electric field and carrier recombination rate along Sb2Se3, the optimal thickness and NA ranges of Sb2Se3 are determined, which are 0.9–1.1 μm and 1016-1018 cm−3 respectively. Through a series of optimization, the structure achieves the highest power conversion efficiency (PCE) of about 25.3 % in the current simulation of Sb2Se3 solar cells. After comparing the novel WS2 ETL with the conventional CdS ETL, we find that WS2 has a larger built-in potential (Vbi) and charge recombination resistance (Rrec). In addition, from the analysis of energy band structure, the spike-like band at Sb2Se3/WS2 interface can effectively inhibit the carrier recombination, which makes the device obtain a larger open circuit voltage (VOC) of 0.69 V. This study can provide theoretical reference for the development of non-toxic and efficient Sb2Se3 solar cells.

Efficiency enhancement above 31 % of Sb2Se3 solar cells with optimizing various BSF layer

Recent advancements in solar technology have increased the acceptance of antimony selenide (Sb2Se3) due to its advantageous properties. This study aims to enhance the performance of the Sb2Se3 structure by using tungsten disulfide (WS2) as the window layer and copper zinc tin selenide (CZTSe) as the back surface field (BSF) layer, utilizing SCAPS-1D (solar cell and capacitance simulator). An initial investigation of seven potential BSF layers identified CZTSe as the best choice for improving power conversion efficiency (PCE). By carefully simulating various parameters, including the thicknesses of the absorber and window layers, donor and acceptor densities, defect density, shunt resistance, and series resistance, significant performance improvements were achieved. Without the BSF layer, the cell showed a PCE of 28.20 % along with specific values for short circuit current density (JSC), open-circuit voltage (VOC), and fill factor (FF). The addition of the BSF layer increased the PCE to 31.52 %, along with enhancements in JSC, VOC, and FF. These results highlight the potential of this approach for developing high-performance Sb2Se3 based solar cells, surpassing conventional designs.

Enhanced structural and optical properties of Cs0.1FA0.9PbI3 perovskite thin film with potassium doping for perovskite solar cells

Hybrid halide perovskite (HHP) materials have been rigorously explored since last decade specially for their potential use as absorber layer material in perovskite solar cells. Formamidinium (FA) based HHP materials show many fascinating properties and exhibit thermal stability. However, photoactive cubic phase of formamidinium lead iodide (FAPbI3) material is unstable at room temperature. To overcome the phase stability issue, substitution of Cs+ or MA+ (methylamine) ion has been found useful. Further, to enhance the material properties of FA-MA or FA-Cs based HHP materials, alkali ion doping is widely explored. In this study, the role of K+ ion doping in enhancing the optoelectronic properties of Cs-FA based HHP material is studied thoroughly by structural and optical characterizations. The XRD results show the suppression of yellow non-perovskite phase after Cs doping in FAPbI3 material. The SEM results predict increased grain size with small K+ content in Cs0.1FA0.9PbI3 material. The PL and TRPL results predict the increase in radiative recombination and charge carrier lifetime with small K-doping and detrimental effects of doping concentration above 3 % of K. The solar cell simulation results yield a maximum power conversion efficiency of 18.21 % in K0.03(Cs0.1FA0.9)0.97PbI3 absorbing layer-based device.

Simulation and efficiency improvement of perovskite solar cells using optimized carbon nanotube charge collector and molybdenum trioxide layer

Simulation and efficiency improvement of perovskite solar cells using optimized carbon nanotube charge collector and molybdenum trioxide layer