The intrinsic features of the chalcogenide perovskite BaHfS3, particularly its bandgap, which affects panel efficiency, what are driving the growing interest in this material for photovoltaics. This work uses Density Functional Theory (DFT) with GGA and mBJ approximations to investigate the electrical, optical, and transport properties of selenium (Se) doped BaHfS3-x Se-x(x = 0 %, 8 %, 16 %, and 24 %). The findings highlight the photovoltaic potential of BaHfS3 by showing a high absorption coefficient, p-type semiconductor behavior, and a decrease in the band gap (from 1.374 eV to 1.157 eV) with increasing Se concentration. When comparing the performance of BaHfS3 and BaZrS3-based cells, the former exhibits robustness with an open-circuit voltage (V-oc) of approximately 1.08 V and a power conversion efficiency (PCE) of over 25 % throughout a broad doping range. High fill factor (FF > 90 %) and high short-circuit current (Jsc) (for thicknesses > 1.5 mu m) are displayed by BaZrS3, which has a lower V-oc (similar to 0.98 V). However, its maximum efficiency is more sensitive to doping (around N-A = 10(1)(8) cm(-)(3)). Furthermore, simulation results under AM1.5G illumination demonstrate the strong potential of BaZrS3 in this particular configuration by confirming that an ITO/ZnSe/BaZrS3 solar cell achieves superior quantum efficiency over a wider spectral range and enhanced J-V characteristics (Jsc similar to 22 mA/cm(2), higher Voc) in comparison to its BaHfS3 counterpart. In conclusion, BaHfS3 provides more performance resilience, but BaZrS3 requires exact control over its parameters to operate at its best
Lead-based perovskite solar cells (PSCs) have not yet achieved large-scale commercialization due to concerns about the toxicity and stability of lead. Lead-free chalcogenide-based perovskite, which has been deemed a promising candidate for solar applications, has attracted increased attention for this reason. Due to its superior optoelectronic features, including a moderate direct bandgap, strong optical absorption, and outstanding thermal stability, BaHfSe3 is proposed in this work to be a potential counterpart light absorber. The PSC based on BaHfSe3 was studied and optimized through numerical simulations in SCAPS-1D. The proposed designs were compared with TiO2, an electron transport layer (ETL), three-hole transport layers (HTLs), MoO3, NiO, and Cu2O. Relevant factors were systematically studied, like defect density, absorber thickness, doping concentration (NA), series and shunt resistances (RS, RSH), temperature, J-V characteristics, charge recombination/generation rates, and quantum efficiency (QE). Furthermore, low-cost carbon-based electrodes were explored to minimize expensive gold (Au) electrodes. C/Cu2O/BaHfSe3/TiO2/FTO, C/MoO3/BaHfSe3/TiO2/FTO, and C/NiO/BaHfSe3/TiO2/FTO also achieved notable device performance of 30.93%, 30.98%, and 30.95% power conversion efficiencies, respectively. These findings reveal the potential of BaHfSe3 as a high-efficiency and eco-friendly absorber for future photovoltaic technologies, which hopefully will endure further experimental verification as well as an appeal for real-world applications.
Halide perovskite materials have emerged as highly promising candidates for next-generation photovoltaic technology due to their tunable chemistry and remarkable optoelectronic properties. In this study, we investigated the structural, phonon, electronic, and optical properties of cubic inorganic halide perovskites CsInX3 (X = Br, Cl) using density functional theory (DFT) with PBE-GGA and mBJ-GGA exchange correlation potentials. The results reveal indirect bandgaps of 0.94 (1.19) eV for CsInBr3 and 1.07 (2.11) eV for CsInCl3, along with strong optical absorption in the visible and near-infrared regions, high conductivity, and low reflectivity features desirable for solar energy conversion. To further assess their device potential, these materials were implemented in a solar cell model (ITO/SnS2/CsInX3/CBTS/Au) using SCAPS-1D simulations. Optimization of device parameters yielded promising power conversion efficiencies of up to 24.52 % for CsInBr3 and 17.39 % for CsInCl3. These findings highlight the potential of CsInX3 perovskites as lead-free absorbers for high-performance photovoltaic applications.
This study presents the development of molybdenum-doped cerium oxide (Ce1-xMoxO2) thin-film electrodes for electrochemical energy storage, synthesized via the spray pyrolysis method. Molybdenum doping induces oxygen vacancies (Vo) in the CeO2 structure, significantly enhancing its charge storage capacity. Structural analysis using X-ray diffraction and Raman spectroscopy confirmed a polycrystalline fluorite-type structure with decreasing crystallite size as Mo content increased. The Raman peak at 461 cm-1 shifted to lower frequencies, and a broad band between 540 and 630 cm-1, indicative of oxygen vacancies, intensified with doping. Scanning electron microscopy-energy-dispersive X-ray spectroscopy analysis showed good film adhesion, smooth surface morphology, and minimal oxygen deficiency. Optical studies revealed that Mo doping decreased film transmittance (60-80%) and reduced the optical bandgap from 3.28 eV (undoped) to 2.89 eV (6% Mo). Electrochemical performance, evaluated by cyclic voltammetry, demonstrated improved specific capacitance due to increased Ce3+/Vo sites. The best performance was achieved at 6 at% Mo doping, with a specific capacitance of 209.16 F g-1 at 20 mV s-1 and 302.55 F g-1 at 0.5 A g-1. The electrode also exhibited excellent cycling stability, with only 2.73% capacitance loss after 1000 cycles.
The development of lead-free absorber materials for photovoltaics is crucial to reconcile high performance with environmental sustainability. In this study, we investigate the inorganic perovskite CsSiBr3 as a promising alternative, employing density functional theory (DFT) and SCAPS-1D simulations to assess the impact of triaxial strain on its structural, electronic, and photovoltaic properties. Our results reveal that the band gap can be tuned from 0.65 eV (-6 % compressive strain) to 1.35 eV (+6 % tensile strain), enabling a transition from a quasimetallic to a semiconducting regime. Under tensile strain, enhanced optical absorption and carrier collection are observed, indicating improved potential for photovoltaic applications. Device simulations (FTO/TiO2/ CsSiBr3/MoO3/Au) show that the widening of the band gap under strain increases the open-circuit voltage (from 0.63 to 1.01 V) and fill factor (from 83.13 % to 87.88 %), while the short-circuit current density undergoes a gradual decline (from 43.57 to 29.18 mA/cm2). Consequently, the power conversion efficiency (PCE) improves from 23.17 % (unstrained) to approximately 26 % under 6 % tensile strain, a value that, although below the Shockley-Queisser limit (-33 %), demonstrates the effectiveness of strain engineering for optimizing CsSiBr3. These findings highlight the potential of this material as a stable, environmentally friendly absorber for nextgeneration solar cells and pave the way for future experimental validation.
The primary challenges in photovoltaic solar energy include toxicity, stability, and the cost of solar cells. To address these issues, we propose the use of noble metal halide double perovskites, which are lead-free. Cs2CuSbCl6 stands out as a popular absorber due to its huge bandgap, high absorption coefficient, and affordable price. Our research analyzes and simulates solar cells with Cs2CuSbCl6 as the absorber material, utilizing SCAPS-1D software. Along with AZnO for the electron transport layer (ETL), we assess the material's stability and suggest less expensive substitutes for hole transport materials (HTLs) such as Spiro-OMeTAD, MoO3, NiO, Cu2O, and CuSCN. Our goal is to find the ideal values for important photovoltaic parameters to increase the efficiency of the suggested solar cells. This entails examining how the thickness, temperature, and doping level affect the properties of the solar cell. Furthermore, numerous feasible back electrodes are investigated and their impact on performance is assessed to replace the pricey gold (Au) electrode. We discovered that the optimal configuration for Cs2CuSbCl6 is C (metal back contact)/MoO3 (HTM)/Cs2CuSbCl6 (Absorber)/AZnO (ETM)/FTO, resulting in 300 K performance. PCE: 27.56 %, Voc: 1.47 V, Jsc: 20.66 mA/cm2, and FF 89.83 %.
Traditional solar cells - including those based on silicon or lead-halide perovskites - have a number of significant disadvantages, including long-term instability, costs, and toxicity. We demonstrate the suitability of CaHfSe3 as a promising next-generation lead-free thermally stable absorber material. We performed a comprehensive numerical simulation study using SCAPS-1D to consider several device topologies of the type FTO/TiO2 AZnO, WS2/CaHfSe3/MoO3/Au, and to investigate the different features of a system based on CaHfSe3. We conducted a full parametric study of the impacts of absorber thickness, defect density, acceptor doping and concentration, as well as carrier concentrations in the electron and hole transport layers. In addition, through experimentation we considered the operational characteristics of carrier generation-recombination methods, temperature and back contact effect current-voltage I-V characteristics, quantum efficiency, and the influence of series and shunt resistance. This allowed us to determine the optimized configuration. The top-performing structure, FTO/TiO2/CaHfSe3/MoO3/Au, had an outstanding PCE of 32.39%, V OC = 1.52 V, J SC = 23.17 mA cm-2, and FF = 91.41%. This research offers both fundamental insights and practical guidance for developing stable, efficient, and environmentally friendly CaHfSe3-based solar cells. It paves the path for further experimental realization and commercial application.
In this study, we investigated the influence of tin concentration on the physical properties of eco-friendly CTS thin-film based solar cells deposited by means of the SILAR route. The results were discussed through several characterization techniques. XRD revealed the formation of Cu2SnS3 phase, along with peaks of CuS and Cu4S7 secondary phases, which diminished with increasing tin concentration. Raman spectroscopy confirmed the tetragonal crystalline structure of CTS films with (112) as the preferred orientation. The direct optical bandgap energy of the synthesized CTS films increased from 1.42 to 1.56 eV as the concentration of tin rose from 0.08 to 0.12 M. Electrical Hall effect measurements performed on the grown CTS layers revealed a p-type conductivity with hall mobility in the range 0.38–2.135 cm2/Vs and a carrier concentration between 3.93 × 1021 cm−3 and 7.68 × 1021 cm−3. Furthermore, using SCAPS-1D solar cell simulation software, the photovoltaic performance of the CTS-S1, CTS-S2 and CTS-S3 absorber layers has been evaluated. Despite the fact that the CTS-S1 absorber layer has more secondary phases and slightly lower mobility than the CTS-S2 and CTS-S3 layers, its excellent optical properties, including a high absorption coefficient (> 104 cm−1) and an optimal bandgap energy of 1.42 eV, enabled it to achieve the best efficiency of 8.46
This study explores the potential of Precision Agriculture (PA) and Smart Farming (SF) using cutting-edge technologies like Artificial Intelligence (AI), the Internet of Things (IoT), and Unmanned Aerial Vehicles (UAVs) to address global challenges such as food shortages and population growth. The research focuses on recent developments in SF, including data collection, analysis, visualization and viable solutions, highlighting the role of IoT and 5G networks. The paper also discusses the application of robots and UAVs in agricultural tasks, showcasing their integration with IoT, AI, Deep Learning (DL), Machine Learning (ML), and wireless communications. Moreover, Smart Decision Support Systems (SDSS) are explored for real-time soil analysis and decision-making. The study underscores the significance of these technologies in PA, propelling traditional farming practices into an era of intelligent and sustainable farming solutions. This Overview is grounded in a thorough analysis of 80 recent research articles, covering the period from 2019 to 2023, within the domain of SF. This study highlights notable trends and advancements in this ever-evolving sector. Furthermore, this paper delves into the nuances of addressing particular challenges prevalent in developing nations, strategies aimed at surmounting constraints related to infrastructure and resource availability, and the pivotal role of governmental and private sector support in fostering the growth of Smart Agriculture (SA).
The use of Key Performance Indicators (KPIs) is essential for tracking and supervising current performances, defining improvement areas, and assessing the effects of implemented modifications. There are different methods for visualizing and analyzing data that can offer important information and insights to operators and managers. However, many current visualization tools can be costly, time-consuming to develop, require programming skills, and pose accessibility constraints. This study introduces an application that has been developed using Microsoft Excel and Visual Basic for Applications (VBA) programming language to expedite and improve KPIs analysis. The application (app) enables automated calculations and generates interactive dashboards. It facilitates KPIs tracking, supervising processes, and enhancing the ability to analyze data and make good decisions. Microsoft Excel and VBA language familiarity and accessibility make the app a user-friendly platform for monitoring KPIs data across different organizational levels. These findings explain the adoption of Microsoft Excel and VBA language as a technology for data analysis. These tools enable organizations to make informed decisions based on precise and reliable data analysis. The research focuses on key performance indicators relevant to production services in corporations. A VBA application has been rapidly developed to present interactive dashboards and comprehensive analysis, ensuring flexibility, accessibility, and reliability simultaneously.
Perovskite solar cells have shown a significant improvement in power conversion efficiency (PCE) from 3.8
Owing to the low long-term stability and high toxicity, high-efficiency perovskite solar cells are yet to be commercialized. Therefore, it is imperative to find a reliable and environmentally benign alternative perovskite light harvester. Herein, the study presents a non-toxic double perovskite light harvester based on Cs2AgSbX6 (where X = Cl, Br, and I) as a substitute, which can render both high efficiency and long-term durability. The optoelectronic properties of the Cs2AgSbX6 double perovskite light harvesters are investigated with the Cambridge Serial Total Energy Package (CASTEP) software package that is committed to density functional theory (DFT). The bandgap (indirect) tunability of Cs2AgSbX6 double perovskite light harvesters and associated changes in the density of states (DOS) are explored. The obtained results are further loaded as input to the SCAPS-1D software package to assess the potential of Cs2AgSbX6 double perovskite solar cells. With the FTO/AZnO/Cs2AgSbX6/MoO3/rear contact device structure, the thickness and bulk defect density of the Cs2AgSbX6 light harvester have superior control over the performance of the double perovskite solar cells. The highest theoretical efficiency of approximate to 29.9% is estimated for the Cs2AgSbI6 light harvester. Additionally, the effectiveness of several prospective back electrodes is examined.
Performance optimisation of perovskite-based solar cells is considered as one of the most important scientific challenges in photovoltaic technologies. In order to address this challenge, SCAPS-1D software was employed to evaluate the potential of BaZrS3 material as an absorbent layer for optimal performance of PSCs (Perovskite Solar Cells). The device structure that we proposed is: (front contact) FTO/(ETL) TiO2/ (absorber) BaZrS3/(HTL) Spiro-OMeTAD/(Metal Back Contact) Au. The optimised parameters (defect density, doping concentration, and thickness) of each layer of the device structure were determined and discussed. Further, the performance parameters (VOC, JSC, FF, and PCE) of the optimised device structure were found to be 1.08 V, 16.80 mA/cm2, 88.60%, and 16.07%, respectively at room temperature. Besides, it was found that when the temperature rises from 300K to 440K, a 1.5% high in PCE is observed, indicating the thermal stability of the BaZrS3 perovskite light absorber.
Thin-film solar cells attain excellent performance through the use of thin semiconducting layers that have exceptional light-harvesting capabilities. Although several thin-film solar cells have shown potential, it is still required to look for less expensive and equally promising substitutes. This work highlights the potential use of the low-cost Al2CdX4 chalcogenide as a thin-film photovoltaic light harvester. Using the Cambridge Serial Total Energy Programme (CASTEP), a density functional theory (DFT) software program, the optoelectronic characteristics of Al2CdX4 chalcogenide light harvesters were explored. The Al2CdX4 chalcogenide light harvesters were studied for variations in their density of states (DOS) and bandgap (indirect) tunability. The results obtained were incorporated into the 1D Solar Cell Capacitance Simulator (SCAPS-1D) program to assess the capability of Al2CdX4 chalcogenide solar cells. The power conversion efficiency (PCE) and other properties of the solar cell were primarily dictated by the thickness and density of defects in the Al2CdX4 light harvester. The influence of operating temperature and the work function of metal back contact on solar cell performance are both examined to evaluate the suitability of Al2CdX4-based solar cells for real-time application. Theoretical PCE of ~29% was obtained in the FTO/AZnO/Al2CdX4/MoO3/rear contact solar cell device structure when thickness and defect density were optimized.
In this study, a device simulation of CaZrS3 material is reported for the first time, which makes this new study interesting, using the one-dimensional solarcell capacitance simulator Scaps-1D. Therefore, we tried to propose low-cost Electron Transport Materials ETMs (TiO2, ZnO, and SnO2). The effect of thickness, doping concentration, working temperature, defect density, and back contact (C, Au, Ni, and Pt) on the device performance was studied. In order to enhance the cell Power Conversion Efficiency (PCE), optimization of the device design key parameters is performed. As a result, we have found that for Pt/CuO/CaZrS3/SnO2/FTO, Pt/CuO/CaZrS3/TiO2/FTO, and Pt/CuO/CaZrS3/ZnO/FTO the PCE parameters are 34.56%, 34.52%, and 33.5% respectively. We anticipate that our theoretical results will motivate photovoltaic researchers to experimentally actualize these materials and their SCs.
Recently, the efficiency of single‐junction perovskite solar cells has been competing with the crystalline Si solar cells. However, the perovskite absorbers are toxic and susceptible to moisture. Herein, the performance of an environmentally benign and durable Cs2BiAgI6 light harvester using the 1D Solar Cell Capacitance Simulator (SCAPS‐1D) software package is evaluated. The primary physical parameters, namely, defect and doping densities and thickness of the subsequent layers, are varied to achieve high efficiencies. The optimized Cs2BiAgI6‐based double perovskite solar cells with three distinct hole‐transporting layers (HTLs) (i.e., MoO3, CuSCN, and spiro‐OMeTAD) deliver a power conversion efficiency of ≈29% with AZnO as electron transport layer (ETL). Further, a variety of possible rear electrodes are explored, and their effect on the performance is estimated. For real‐time examination of the Cs2BiAgI6‐based double perovskite solar cells, the variation of power conversion efficiency (PCE) concerning the operating temperature is estimated. The thickness of the Cs2BiAgI6 light harvester layer and the bulk defect density are the key aspects in attaining high power conversion efficiencies in Cs2BiAgI6‐based double perovskite solar cells.
To process the toxicity and stability issues of hybrid lead halide perovskites, we suggest chalcogenide perovskites as an actual alternative family of material-based solar cells. Zr-based chalcogenides AZrS(3) (A = Ba, Ca, or Sr) are the most studied family of chalcogenide perovskites for optoelectronic applications, thanks to their low cost, strong absorbency, and high PCE. A device simulation of SrZrS3 as an absorbing material solar cell, as well as a proposal of low-cost Hole Transport Materials HTMs (Cu2O, CuSCN, and NiOx), were achieved by using the software SCAPS-1D. The key parameters (thickness, doping concentration (NA), and temperature) for each configuration are varied to inspect their impact on the device's performance. In the interest of replacing the highly expensive gold (Au) electrode, the functionality of the metal work function was also investigated. As a result, we have found that for SrZrS3, the optimized configuration is: Ni (metal back contact)/NiOx (HTM)/SrZrS3 (Absorber)/ZnO (ETM)/FTO, which delivered at 400 K: a PCE of 25.97%, a VOC of 1.18 V, a JSC of 26.13 mA/cm(2) and an FF of 84.29%.
The main issues impeding the commercialization of perovskite solar cells are their toxicity and long-term sta-bility. Thus, it is essential to find a robust and reliable alternative light absorber that is environmentally friendly and provides stability. Herein, we present stable and lead-free Cs2CuSbX6 (where X = Cl, Br, and I) double perovskite light harvesters as a substitute, which can render excellent efficiency and long-term stability. The double perovskite solar cells based on the Cs2CuSbX6 light harvester, the aluminium-doped ZnO electron transport layer, and the MoO3 and Cu2O hole transport layers are critically evaluated using the SCAPS-1D software package. The densities of defects and dopants as well as the thickness of the succeeding layers of the double perovskite solar cells are altered to extract high efficiency. With aluminium-doped ZnO serving as the electron transport layer, the optimized Cs2CuSbI6-based double perovskite solar cells attain a power conversion efficiency (PCE) of about-29% for both MoO3 and Cu2O hole transport layers. Several potential back electrodes are also investigated, and their impact on performance is assessed. The fluctuation in PCE concerning operating temperature is computed for authentic analysis of the double perovskite solar cells during real-time operation. Overall, in order to achieve high PCEs in Cs2CuSbI6-based double perovskite solar cells, it is crucial to consider both the thickness of the light harvester layer and the bulk defect density.
Organic-inorganic perovskite light absorbers have shown tremendous progress over the last decade. Single junction solar cells with perovskite light absorbers have achieved power conversion efficiencies exceeding 25%. Further optimization of the subsequent thin-films in the perovskite solar cells is essential to attain higher power conversion efficiencies reaching the Shockley-Queisser limit. Herein, we report the preliminary studies on how the subsequent thin-films thickness and properties can be tuned to achieve efficiencies exceeding 30%. We used SCAPS-1D software to optimize the thickness, donor, defect, and acceptor densities of each thin film of the perovskite solar cells. The thickness and defect densities of the CH3NH3PbI3-XClX light absorber had the highest control over power conversion efficiencies. The thickness and acceptor densities of the hole transporting films had the slightest control over power conversion efficiencies. We have also studied the operating temperature-dependent variation in power conversion efficiency and other solar cell parameters. In an attempt to replace the high-cost gold counter electrode, we compared the variation of power conversion efficiency with other possible counter electrodes. Overall, the current approach of utilizing SCAPS-1D software to optimize high-efficiency perovskite solar cells theoretically can be extended to other solar cells and optoelectronic devices.