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In recent years, significant progress has been achieved in the field of perovskite solar cells (PSCs), particularly those comprised of organic–inorganic lead halides, resulting in a remarkable record efficiency of 25.20%. However, the persistent issue of lead toxicity poses a considerable barrier to their widespread commercial adoption. To address this challenge, this study focuses on the optimization of lead-free germanium-based halide PSCs using SCAPS-1D simulation software. In our investigation, CsGeI3serves as the absorber layer, TiO2functions as the electron transport layer (ETL), Cu2O is utilized as the hole transport layer (HTL), and various metals are employed as the back metal contact (BMC). The optimization of the BMC leads to the establishment of the FTO/TiO2/CsGeI3/Cu2O/Ni structure. Subsequent optimization steps include fine-tuning the thickness of the absorber, ETL, and HTL layers, as well as optimizing acceptor doping and defect density in the absorber and HTL layers. Sequentially, donor doping and defect density in the ETL are investigated. Interfacial defect densities, along with the impact of temperature, series resistance, and shunt resistance on the photovoltaic performance, are also considered. Upon completion of these optimization procedures, the final device exhibits notable performance characteristics, including an open-circuit voltage (VOC) of 1.165 V, fill factor (FF) of 88.52%, short-circuit current density (JSC) of 24.40 mA/cm2, and a power conversion efficiency (PCE) of 25.16%. Furthermore, the optimized structure without Cu2O HTL demonstrates impressive performance, yielding a PCE of 25.15%. The outcomes presented in this study hold promise for the development of advanced lead-free PSCs, paving the way for high conversion efficiencies in future solar energy technologies.

In order to alleviate the existing global energy and environmental difficulties related to the usage of fossil fuels, there is requirement of improved energy alternatives such as limitless solar energy. The creation of low-cost photovoltaic devices and their design are of significant interest which represent the pinnacle of effective solar energy harvesting. PbS colloidal quantum dot solar cell has a promising ability for ultra-thin solar cell applications. In the present work, the device architecture indium tin oxide/SnO2/PbS–TBAI/MoO3/Au has been used in which MoO3(molybdenum trioxide) is employed as HTL (hole transport layer) with 3.0 eV bandgap and SnO2(tin (IV) oxide) as ETL (electron transport layer) with 3.5 eV bandgap and PbS–TBAI (tetrabutylammonium iodide) is used as an absorber layer with 1.2 eV bandgap. Further, 1D solar cell capacitance simulation program tool (SCAPS-1D) is used to obtain energy band diagram, quantum energy and current density curve. The achieved value of power conversion efficiency is 30.16%, Voc(open-circuit voltage) is 0.9025 V, Jsc(short-circuit current density) is 38.746 mA/cm2and fill factor is 86.14%. For further optimization, the impact of temperature, thickness of active layer and work function on the PV parameters has been studied.

The atmosphere has been burdened by the augmented release of greenhouse gases, leading to the unfortunate consequences of global warming due to the combustion of fossil fuels. Consequently, the realms of energy have directed their attention toward sustainable alternatives like hydro energy in order to generate electricity. Methods for storing energy have the ability to ensure the provision of energy when it is needed, as long as the energy is stored at a time when renewable sources are available. Hydrogen is regarded as a promising substitute for conventional feedstocks due to its distinctive qualities such as being a clean and high-density energy source, devoid of harmful substances and environmentally friendly. Hydrogen serves as the primary fuel for fuel cells, and it can be generated through various means, including harnessing wind power or utilizing electrolysis methods to extract electricity from renewable sources. However, the secure, efficient, and cost-effective preservation of hydrogen remains a formidable obstacle that hinders the widespread adoption of hydrogen energy. While high-pressure hydrogen gas and cryogenic hydrogen liquid are two storage methods that have been employed, they fail to satisfy the aforementioned criteria. In order to surmount these limitations, the realm of research has predominantly focused on ceramic-based hydrogen storage materials in recent times. This article presents a comprehensive review of the innovative endeavors conducted on these systems, accompanied by a delineation of discoveries made in order to store the workable thresholds for the quantity of hydrogen that may be retained in hydrogen storage systems utilizing ceramic materials.

We explore the design and optimization of high-efficiency solar cells on low-reflective monocrystalline silicon surfaces using a personal computer one dimensional simulation software tool. The changes in the doping concentration of the n-type and p-type materials profoundly affects the generation and recombination process, thus affecting the conversion efficiency of silicon solar cells. To enhance solar cells' performance, copper nanoparticle (Cu-NP) assisted surface texturization has been employed on the silicon surface with resistivity 1–3 Ω.cm. The surface texturization assists in reducing the surface reflection of silicon by around 0.65%. The doping concentration and the layer thicknesses of a solar cell are optimized and found that 1 × 1014 cm−3doping concentration at three different thicknesses (5, 10, and 15 μm) of the n-type region exhibit the maximum solar cell conversion efficiency of around 26.19%. The optimized design solution shows the best output parameters namely open-circuit voltage (Voc) around 0.749 V, short circuit current (Isc) about 3.987 A, and a fill factor of 26.19% that can be potentially useful for the fabrication of high-efficiency solar cells.

This study investigates, by means of numerical simulation, the potential enhancement of copper zinc tin sulfide (CZTS)-based solar cells through the utilization of various hole transport layers (HTLs), namely, MoOx, CuI, and SnS. Notably, we optimize key cell parameters, such as the CZTS absorber layer thickness, defect density, and acceptor concentration. By integrating these HTLs, we aim to achieve the dual benefits of increased photon energy absorption and reduced recombination rates within the device. Our findings highlight the exceptional performance of MoOxand CuI as HTLs, surpassing SnS by a significant margin. Specifically, MoOxand CuI demonstrate a remarkable power conversion efficiency of 23.73% and an impressive fill factor of 88%. Notably, these results closely approach the theoretical limits proposed by Shockley and Queisser. The proposed strategy, which involves tuning band alignment and optimizing global parameters, holds promise for enhancing the efficiency of CZTS heterojunction-based solar cells, ushering in a more sustainable and efficient era of solar energy conversion.

•Structural, electronic, and optical properties of Sr3Sbl3were studied using FP-DFT.•The influences of compressive and tensile strains on Sr3Sbl3were also investigated.•Effect of spin-orbital coupling (SOC) were studied on Sr3Sbl3 perovskite in details.•The PV performance of Sr3SbI3absorber based structure were investigated via SCAPS-1D.•The maximum power conversion efficiency was found 29.91% for 4% compressive strain.

This research work aimed to identify the optimal parameters of the hole transport layer (HTL) for enhancing the power conversion efficiency (PCE) of mixed halide (FASnI3)1–x(MAPbI3)x-based perovskite solar cells (PSCs). The study analyzed the impact of the HTL properties, such as bandgap (Eg), affinity (μ), mobility (μp), and acceptor-doping density (NA), on the photovoltaic (PV) parameters of five different PSCs with x= 0, 0.2, 0.4, 0.6, and 1.0. The study revealed that the influence of χ on open-circuit voltage (VOC) decreases for the HTL with Eg≥ 2.95 eV, and higher Egresults in higher VOCvalues. The study also found that the impact of μpon short-circuit current density (JSC) becomes negligible if μpis more than 2 × 10–4cm2V–1s–1, while the influence of NAis negligible for NAof more than 1.5 × 1017cm–3. Moreover, the impact of μpis negligible on VOCof the cells at the entire NArange, while with an increase in NA, VOCof the cells increases significantly. The study found that the most suitable active layer was with x= 0.2, i.e., (FASnI3)0.8(MAPbI3)0.2, which delivered the highest PCE of 23.05%. The oxidation of Sn2+to Sn4+can lead to inherent acceptor doping in the absorber layer, which affects device performance. Therefore, this study also investigated the impact of Sn oxidation on the performance of PSCs with Sn-based absorber layers and found that VOCand fill factor (FF) reduce monotonically as the acceptor doping increases. The reduction in efficiency as a result of Sn oxidation is significant, reducing PCE from 23.05 to 20.86% for the champion device with x= 0.2. The findings of this study contribute to advancing the understanding of mixed halide (FASnI3)1–x(MAPbI3)xPSCs and improving their performance by selecting the appropriate HTL for specific active layers.

A surface plasmon resonance (SPR) sensor for the detection of the dengue virus has been presented with excellent sensitivity. The design consists of a heterojunction of copper metal, silicon nitride, barium titanate, and black phosphorus nanomaterials deposited over BK7 prism. Thickness of each layer is optimized to achieve the highest possible sensitivity. The proposed sensor has the ability to identify both normal and infected blood samples, which include components such as plasma, platelets, and hemoglobin. The sensor offers angular sensitivity for plasma, platelets, and hemoglobin cells of 146.53°/RIU, 226.89°/RIU, and 300°/RIU with their figure of merit values of 137.73, 183.78 and 264 RIU−1respectively. Further, to validate the position of resonance angle and reflection phenomena, phase change and electric field enhancement factor is also investigated. The novelty of the design lies in proper selection of heterojunction based on Cu metal which provides high sensitivity for dengue cells.

In this paper, effective work is conducted on performance optimization in methylammonium lead triiodide with MXene absorber layer-based solar cells incorporating Spiro-OMeTAD and GO as HTL and ETL, respectively. The influences of temperature, work function of back contact, interface defect density (ETL/absorber) and parasitic resistance on the cell output parameters have also been analyzed. The solar cell device architecture of FTO/GO/CH3NH3PbI3+ MXene/Spiro-OMeTAD/Au optimized in terms of thickness and defect density of absorber layer respectively have shown a theoretical PCE of 21.37%, FF of 74.87%, Vocof 1.2220 V and Jscof 23.3594 mA/cm2. The outcome of this article offers valuable perspectives on enhancing the effectiveness, durability, and fine-tuning of MXene-based solar cells for their use in various energy applications.

Organometallic halide perovskite solar cells (PSCs) are well known for their superior performance, ease of manufacture, and versatility. However, the inclusion of poisonous lead in traditional PSCs has prompted environmental concerns, encouraging research into lead-free alternatives. Despite the potential of lead-free PSCs, their commercial feasibility has been hampered by inefficiencies, demanding rigorous numerical research to discover root causes and optimize power conversion efficiency (PCE). This study focuses on lead-free PSCs designed with Methylammonium Germanium Iodide (MAGeI3) as a perovskite absorbing layer (PAL) and employs the SCAPS-1D modeling technique to exploit PCE. The device emphasizes a MAGeI3-based PSC arrangement with sandwich layers made up of TiO2as the electron transport material (ETM) and Cu2O (Copper Oxide) as the hole transport material (HTM). The performance of the device is evaluated using a complete study and optimization of many variables including consecutive active layer thickness, impedance characteristics, capacitance-voltage (C-V) behavior, operating temperature, and defect density. The findings show that proposed PSCs attain an ideal PCE of 26.50%, due to considerable improvements in fill factor (FF) of 79.09%, open-circuit voltage (VOC) of 1.221 V, and short-circuit current density (JSC) of 27.45 mAcm− 2. It has been too found that after optimizing several aspects of the suggested structure, the performance metrics show a 90% increase in external quantum efficiency (EQE) a little above the previously reported PSC. This extensive investigation gives significant insights into the elements impacting lead-free PSC performance and paves the road for the creation of more efficient devices. The present work looks into MAGeI3-based PSCs, discovering crucial optimization variables, progressing lead-free solar cell technology, and supporting sustainable energy options.

The progression of organic solar cell (OSC) technology encounters obstacles primarily concerning stability and the use of transparent conductive oxide (TCO) as anodes. The study emphasizes the influence of aluminium-zinc-oxide (AZO) anodes in OSCs while maintaining conventional organic absorber layer (OAL) and carrier transport layers (CTLs) within the anticipated AZO/PEDOT: PSS/P3HT: PC61BM/ZnO/LiF/Al structure. While, TCO-anode-based OSCs garner attention for improved efficiency, ease of fabrication, and versatility. However, indium’s presence in indium-tin-oxide (ITO) raises apprehensions about fragility and film impairment, leading to future indium-free TCOs with insufficient power conversion efficiency (PCE) due to inherent losses. Moreover, the impact of TCOs on charge density (ρ) and charge extraction efficiency in OSC varies with factors like work function, surface morphology, and chemical interactions with organic layers. The investigations are subjected to device performance analysis through optimization of several features like the thickness of the active layer, operating temperature (T), trap density (Nt), illuminations of intense light intensity (Pin), charge density analysis, and generation-recombination (Gn–Rn) analysis to achieve an optimized PCE of 8.05%. The potential findings of this strategy may pave the system for the marketability of AZO anode OSC by achieving the necessary device stability and efficiency. Hence, observed results validate further optimization of P-type/intrinsic/N (PIN)-type structures for fabrication purposes, suggesting practical incorporation of P3HT: PC61BM blends for enhancement of PCE in OSCs.

In recent years, functional antimicrobial fabric materials have been in high demand in the health sector due to the impact of COVID-19. Considering the increasing demand, the availability of natural, environmentally friendly, and non-toxic products is limited. In this study, a facile, eco-friendly method for the preparation of antimicrobial functional cotton fabric is proposed. At first, scoured and bleached cotton fabric is treated with chitosan, followed by encapsulation of lavender essential oil (LEO) with the addition of Artocarpus heterophyllusLam. (jackfruit) latex gum as a binder. For the encapsulation and optimization of LEO and jackfruit latex gum (JLG) performance, four variations of these material’s quantity were utilized. Among all the studied samples, we found that the most efficient inhibition of bacterial growth was induced in both gram-negative (Escherichia coli) and gram-positive (Staphylococcus aureus) cultures. Among the samples, the chitosan-treated fabric with LEO and JLG added, named TG-5 (refers to LEO of 3 mL and JLG of 5 mL), showed the most impactful bacteria reduction. It demonstrates the most effective antibacterial reduction of 92.5% and 56.8% for E. coliand S. aureusbacterium cultures, respectively. The field emission scanning electron microscope illustrates and validates the morphology and addition of the prepared samples, while Fourier transform infrared is employed to identify the chemical bonding and chemical compounds of the functionalized materials. Therefore, the new combination of lavender oil and latex gum of jackfruit as an antimicrobial finishing agent can be the replacement of synthetic chemicals for cotton fabric functionalization in medical textiles.

A planar architecture double perovskite solar cell (DPSC) has been proposed and modeled employing Pb free La2NiMnO6absorber layer. In present work, fluorine-doped tin oxide (FTO) is employed as transparent electrode, tungsten disulfide (WS2) is used as ETL, cuprous oxide (Cu2O) as HTL and La2NiMnO6material is utilized as an absorber layer using the simulation program Solar Cell Capacitance Simulator-One Dimensional (SCAPS-1D). Notably, the configuration of the proposed device is FTO/WS2/La2NiMnO6/Cu2O/Au which demonstrates power conversion efficiency (PCE) of 11.41%. Several parameters affecting device performance such as absorber thickness, defect density, series and shunt resistance, interface defect density and various back metal contacts are studied and optimized. The structure exhibits PCE 18.89%, fill factor (FF) 85.52%, open-circuit voltage (Voc) 0.7919 V, and current density (Jsc) 27.89 mA/cm2. The results of the current work might be beneficial for researchers in designing low-cost, highly efficient, and non-toxic inorganic DPSC.

Cesium tin chloride (CsSnCl3) has emerged as a highly promising candidate for lead-free perovskite solar cells (PSCs). Realizing the full potential of CsSnCl3in PSCs necessitates addressing challenges related to defect-free device fabrication, optimizing the alignment of the electron transport layer (ETL), and hole transport layer (HTL), and configuring the device to achieve peak performance. In this research, we introduce an innovative configuration for simulating solar cells via employing the SCAPS-1D simulator, incorporating efficient ETLs like ceric dioxide (CeO2) and HTLs based on CBTS. Simulation results illustrate that heterostructures comprising ITO/CeO2/CsSnCl3/CBTS/Au exhibit impressive photoconversion efficiency. Additionally, we scrutinize the impact of CsSnCl3absorber thickness, series resistance, light conversion efficiency, and operating temperature. Furthermore, we delve into the combined effects of absorber thickness, ETL thickness, defect density, CsSnCl3perovskite thickness, electron affinity, absorption thickness, ETL thickness, and doping. We assess parameters such as ETL acceptor characteristics, HTL thickness, HTL donor doping, current-voltage behavior, and quantum efficiency to gauge device performance. The simulation results from SCAPS-1D align well with both simulated and experimental data reported in the literature, showcasing an optimal open-circuit voltage of 0.96 V, a short-circuit current density of 32.22 mA/cm2, a fill factor of 86.40%, and an overall efficiency of 25.1%. This comprehensive simulation study provides valuable insights and establishes a promising research direction within the realm of CsSnCl3-based solar cells.

Lead-free perovskite materials continue to attain extensive consideration in the field of solar cell applications due to their promising performances and non-toxicity. However, little information is available considering the detailed optimization of the device performance of lead-free perovskite solar cells. In this regard, a device made of ITO/WS2/Cs3Bi2I9/Cu2O/Au was first optimized with ten (10) different back metal contacts, replacing Au. Besides, a comprehensive investigation was conducted considering the effect of absorber thickness, absorber acceptor density, and defect density on the performance of the device. The Cs3Bi2I9(absorber) layer, WS2(ETL), and Cu2O (HTL) are optimized to ensure the optimum performance of the ITO/WS2/Cs3Bi2I9/Cu2O/Ni architecture. After all possible optimizations, the PSC with ITO/WS2/Cs3Bi2I9/Cu2O/Ni structure offers much promising results with VOCof 1.384 V, JSCof 13.93 mA/cm2, FF of 86.03%, PCE of 18.36%: opening new avenues for further research. In addition, the impact of working temperature, current density–voltage (J–V), and quantum efficiency are concurrently assessed for the best possible design. The champion cell configuration is also compared with earlier published experimental and theoretical studies available in the literature. In this study, a new lead-free PSC model has been developed, which demonstrates improved environmental friendliness, stability, and efficiency compared to previous models. Overall, the suggested methodology enables the realization of high-efficiency, eco-friendly solar cells, thereby offering a promising solution for the development of sustainable energy systems.

This paper deals with the performance analysis of different indium gallium nitride (InGaN)-based solar cells. In particular, single, dual, and triple junction structures are investigated by means of a detailed numerical simulation study involving an accurate modeling of the fundamental material properties. The presented results include the calculated electric field, electric potential, current density, spectral response, and photo-generation/recombination rate. The solar cells electrical outputs in terms of short circuit current density (JSC), open circuit voltage (VOC), fill factor (FF), maximum power (Pmax), and conversion efficiency (η) are extracted from the current density/voltage J(V)and power density/voltage P(V)characteristics. To check the coherence of the obtained results, pertinent literature data are reported. Under the AM1.5G illumination conditions, the calculated conversion efficiency exceeds 18%, 28%, and 33% for the single, dual, and triple junction cells, respectively. The obtained results aim to provide conceptual guidance for selecting the appropriate device configuration in the design of highly efficient photovoltaic (PV) modules.

III-V-based materials are widely used for multi-junction solar cell applications due to their large band gap, allowing them to absorb a significant amount of light and increase the output power. Among the III-V materials, AlGaAs is a promising candidate for the top cell due to its tunable band gap. However, the growth of AlGaAs often leads to the formation of DX-centers, resulting in low material quality and limiting the reported efficiencies of AlGaAs cells to mostly below 18.7%. Research in this field has primarily focused on single and multi-variable parameter sweep methods to optimize the conversion efficiency of solar cells. While effective, these techniques can be time-consuming, especially when only the final result matters and their accuracy diminishes as the number of layers in the cell increases. To address these challenges, we proposed a metaheuristic method based on Real Coded Genetic Algorithm (RCGA) to optimize the solar cell. By hybridizing MATLAB and Atlas SILVACO, we developed an efficient code. The effectiveness of the utilized modeling framework is evaluated by comparing its predictions to experimental results, revealing a strong correspondence between the two. The obtained results were compared to those achieved using conventional parameter sweep methods. Our optimized solar cell achieved an efficiency of 26.08% under the AM1.5 spectrum. The findings demonstrate that a multi-dimensional optimization using the RCGA approach, combined with the Atlas SILVACO simulator, can be effectively employed to optimize semiconductor devices, offering a more robust alternative to existing methods.

Anode materials for Li-ion batteries (LIBs) utilized in electric vehicles, portable electronics, and other devices are mainly graphite (Gr) and its derivatives. However, the limited energy density of Gr-based anodes promotes the exploration of alternative anode materials such as silicon (Si)-based materials because of their abundance in nature and low cost. Specifically, Si can store 10 times more energy than Gr and also has the potential to enhance the energy density of LIBs. Despite the many advantages of Si-based anodes, such as high theoretical capacity and low price, their widespread use is hindered by two major issues: charge-induced volume expansion and unreliable solid electrolyte interphase (SEI) propagation. In this detailed review, we highlight the key issues, current advances, and prospects in the rational design of Si-based electrodes for practical applications. We first explain the fundamental electrochemistry of Si and the importance of Si-based anodes in LIBs. The excessive volume increase, relatively low charge efficiency, and inadequate areal capacity of Si-based anodes are discussed to identify the barriers in enhancing their performance in LIBs. Subsequently, the use of binders (e.g., linear polymer binders, branched polymer binders, cross-linked polymer binders, and conjugated conductive polymer binders), material-based anode composites (such as carbon and its derivatives, metal oxides, and MXenes), and liquid electrolyte construction techniques are highlighted to overcome the identified barriers. Further, tailoring Si-based materials and reshaping their surfaces and interfaces, including improving binders and electrolytes, are shown to be viable approaches to address their drawbacks, such as volume expansion, low charge efficiency, and poor areal capacity. Finally, we highlight that research and development on Si-based anodes are indispensable for their use in commercial applications.Keywords: Lithium-ion battery; Silicon-based anode; Volume expansion; Solid electrolyte interphase propagation; Binders; Composite anode materials.

A comprehensive understanding of the operational principles of perovskite solar cells (PSCs) is crucial for achieving the efficient conversion of solar energy into electrical energy. Moreover, the utilization of environmentally sustainable materials constitutes a pivotal aspect within the realm of solar cell investigation. This present study involves an investigation of double PSCs based on La2NiMnO6, with the primary aim of developing a lead-free alternative. The focus of the current study lies in the numerical investigation of the two most promising solar cell structures to enhance their conversion efficiency. Cu2FeSnS4(CFTS) is widely recognized as a hole-transport layer (HTL) material, whereas ZnO and WS2are acknowledged as electron-transport layer (ETL) materials. Therefore, the selected structures, namely, ITO/ZnO/La2NiMnO6/CFTS/Au and ITO/WS2/La2NiMnO6/CFTS/Au, are analyzed to optimize various optoelectronic parameters. The initial experimentation on back metal contact (BMC) optimization involved the use of 10 different materials, namely, Cu, Ag, C, Ni, Pt, Au, Fe, W, Pd, and Se. Following an extensive investigation, Se is determined to be the optimal material for the back contact in both studied structures. The study finds two optimized solar cell configurations: ITO/ZnO/La2NiMnO6/CFTS/Se with a PCE of 17.23% and ITO/WS2/La2NiMnO6/CFTS/Se with a PCE of 20.18%. Thereafter, the impact of absorber thickness on the absorber acceptor and defect density is examined using contour mapping. To enhance and maximize the efficiency of the two solar cell structures, various optimizations of the optoelectronic parameters are conducted. These optimizations include adjusting the thickness of the absorber, ETL, and HTL, as well as modifying the doping and defect densities of the absorber, ETL, and HTL. Additionally, optimizations are made to minimize interfacial defect densities. The performances of the optimized structure are monitored with respect to the series–shunt resistance. Furthermore, this study examines the properties of capacitance and Mott–Schottky characteristics as well as the rate of generation and recombination. In this study, an analysis is conducted on the characteristics of current–voltage (J–V) and quantum efficiency (QE) profiles. The entire procedure involving the optimization and investigation of the structure of solar cells is conducted by utilizing the SCAPS-1D software. By comprehensive exploration and optimization of these aspects, this research contributes significantly to the advancement of efficient and environmentally sustainable perovskite solar cells.

Perovskite solar cell (PSC) technology is extensively used in commercial sectors, but concerns about the use of lead and degradable components in cells are increasing. A PSC, which is based on lead-free KSnI3, is illustrated through the SCAPS-1D simulation. In this work, different hole transport layers (HTLs; spiro-OMeTAD, Cu2O, NiO, and CuI) and electron transport layers (ETLs; TiO2, CdS, WS2, and ZnO) were simulated with the proposed device configuration and highest power conversion efficiency (PCE). By optimizing thickness variation, doping density, defect density, and back contact, we obtained the highest PCE = 20.99%, FF = 85.24%, Jsc= 17.063924 mA/cm2, and Voc= 1.4434 V. These values were higher than those in a previous study on a KSnI3-based PSC with phthalocyanine-based CTLs having PCE = 11.91% and on a TiO2, spiro-OMeTAD-based PSC with PCE = 9.776%. To achieve the final optimization result of PCE = 20.99%, we used CuI as the HTL, ZnO as the ETL, and KSnI3as the absorber layer. The FTO/ZnO/KSnI3/CuI/Au device structure provides an efficient and reliable solution for realizing remarkable efficiency in PSCs.

The widespread results of the explicit modeling technique for hybrid-perovskite-based solar cells under the illumination spectrum of AM 1.5G are illustrated in the present simulative work. The research specifically aims to improve the overall device efficiency by considering innovative double perovskite hybrid-absorber layers (ALs). The perovskite solar cells (PSCs) offer high efficiency with hybrid and lead-free material, i.e., copper indium gallium selenide (CIGS) as well as cesium tin iodide (CsSnI3). The present study utilizes Spiro-OMeTAD and ZnO as the carrier transport layers; as the electron–hole transport layer is sandwiched with the PALs of CIGS and CsSnI3, it has precise bandgap values of 1.3 and 1.27 eV, respectively. Using double-graded materials of CIGS/CsSnI3results in an optimized efficiency of up to 26.55%. The comprehensive investigation of thicknesses, bulk defect densities, and temperature dependency of the current device configurations are also investigated.

Nontoxic and inorganic lead-free double perovskite La2NiMnO6(LNMO) has achieved tremendous attention as an absorber layer of a solar cell (SC) structure due to its outstanding optoelectronic properties to support photovoltaic (PV) applications. In order to check the feasibility of LNMO as a potential SC absorber material, the structural, electronic, and optical properties of LNMO are computed within the realm of density functional theory (DFT). The computed energy band diagram confirms that LNMO is a degenerate semiconductor with an indirect band gap (Eg) of ∼0.58 eV. In addition, the density of states (DOS) implies that the d-orbital electron of Mn and Ni elements and p-orbitals of O elements contributed significantly to the electronic conductivity of the material. The electronic charge density map and Mulliken population analyses manifest robust electronic charge accumulation around the O atom and the strong covalent bonding nature of Ni–O and Mn–O bonds, respectively. The strong absorption peaks in the infrared (20.0 eV), visible (2.6 eV), and near-ultra-violet (7 eV) regions reflect the true potential of LNMO as a PV material. Furthermore, the SCAPS-1D simulation tool is used to investigate the best-optimized electron transport layer (ETL)/LNMO/hole transport layer (HTL) SC configurations where PCBM, ZnO, C60, and WS2are used as ETLs, while CuSCN, NiO, P3HT, PEDOT:PSS, ZnO, and CuSCN are used as HTLs. The WS2/LNMO/CFTS solar structure exhibited the best power conversion efficiency (PCE) of ∼20.18% among 24 different solar device combinations. The four best SC configurations are chosen for PV performance analysis through a variation in the ETL and absorber layer thicknesses. Furthermore, the impact of the variation of the series and shunt resistances of these SC structures are investigated. For deeper insights, the C–Vplots, generation and recombination rates, J–Vcurves, and quantum efficiency plots are analyzed for the investigated configurations.

Cs3Bi2I9as a solar absorber material is a strong contender for lead-free perovskite solar cells (PSCs). The presence of bismuth (Bi) in Cs3Bi2I9leads to the origin of interesting optoelectronic properties along with a suitable optical band gap and high absorption coefficient. However, further analysis of the crystal structure, optical, and electronic properties of this material is required for efficient photovoltaic (PV) applications. The potential of Cs3Bi2I9perovskite as an absorber layer for solar cells (SCs) was first analyzed by performing density functional theory (DFT) calculations to observe its structural, optical, and electronic properties. Band structure reveals an indirect band gap (2.42 eV), and density of states (DOS) data show good conductivity primarily contributed by the 5p and 6s orbital electrons of I and Bi atoms. Strong electronic charge buildup is seen in the electronic charge density map surrounding the I atom, as well as the covalent bonds between the I and Bi atoms. The frequency-dependent dielectric function and absorption calculations reveal that Cs3Bi2I9might be a potential material in optoelectronic and photovoltaic systems. We also performed numerical simulations using the one-dimensional solar cell capacitance simulator (SCAPS-1D) for 49 different PSC configurations with Cs3Bi2I9absorber, electron transport layers (ETLs) comprising WS2, indium–gallium–zinc oxide (IGZO), SnO2, ZnO, C60, TiO2, and phenyl-C61-butyric acid methyl ester (PCBM), and hole transport layers (HTLs) like Cu2O, CuSCN, NiO, poly(3-hexylthiophene) (P3HT), poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS), Spiro-MeOTAD, and CuI. Simulation results reveal that the Cu2O HTL exhibited the best power conversion efficiency (PCE) for all of the ETLs. Of the 49 configurations, the six best configurations with the Cu2O HTL and different ETLs were analyzed to study the effect of absorber and ETL thickness, series and shunt resistances, operating temperature, capacitance, Mott–Schottky, generation, and recombination rate on the PV performance. Current–voltage (J–V) characteristics and quantum efficiency (QE) were computed for all of these configurations to understand the impact of the absorber, ETL, and HTL on the PV parameters. This comprehensive simulation study will assist researchers in the fabrication of cheap and efficient PSCs without lead and open new horizons in the field of solar technology.

The power conversion efficiency (PCE) of cesium lead halide (CsPbX3, X = l, Br, and Cl)-based all-inorganic perovskite solar cells (PSCs) is still struggling to compete with conventional organic–inorganic halide perovskites. A combined material and device-related analysis is much needed to understand the working principle to explore the efficiency potential of CsPbX3-based PSCs. Therefore, here, density functional theory (DFT) and SCAPS-1D-based studies were reported to evaluate the photovoltaic (PV) performance of CsPbBr3-based PSCs. DFT is first applied to assess and extract structural and optoelectronic properties (band structure, density of states, Fermi surface, and absorption coefficient) of the considered absorber layer. The calculated electronic band gap (Eg) of the CsPbBr3absorber was 1.793 eV, which matched well with the earlier computed theoretical value. Additionally, the Pb 6p orbital contributed largely to the calculated density of states (DOS), and the electronic charge density map showed that the Pb atom acquired the majority of charges. In order to examine the optical response of CsPbBr3, optical characteristics were computed and correlated with electronic properties for its probable photovoltaic applications. Fermi surface computation showed multiband characters. Furthermore, to look for a suitable combination of the charge transport layer, a total of nine HTLs (Cu2O, CuSCN, P3HT, PEDOT:PSS, Spiro-MeOTAD, CuI, V2O5, CBTS, and CFTS) and six ETLs (TiO2, PCBM, ZnO, C60, IGZO, and WS2) are used considering the experimental Eg(2.3 eV). The best power conversion efficiency (PCE) of 13.86% is reported for TiO2and CFTS in combination with the CsPbBr3absorber. The effects of operating temperature, series and shunt resistances, Mott–Schottky, capacitance, generation and recombination rates, quantum efficiency, and current–voltage density were also examined. The resulting PV properties were also compared with previously published data. Results reported in this study will pave the way for the development of high-efficiency all-inorganic CsPbBr3-based solar cells in the future.

Tandem solar cells have higher efficiency than single-junction devices owing to their wide photon absorption range. A wide band gap (Eg) absorber absorbs the higher-energy photons in the top cell. In contrast, a comparatively low band gap absorber material is utilized in the bottom cell to absorb the filtered low-energy photons. Consequently, thermalization and transparent energy losses are overshadowed by the top subcell (Topsc) and the bottom subcell (Bottomsc), respectively. However, to achieve the best efficiency from a tandem design, the choice of active material in the Topscand the Bottomscplays an important role. Therefore, in this proposed study, a tandem solar cell comprising a perovskite (Eg1.68 eV)-based top cell and a copper indium gallium selenide (CIGS, Eg1.1 eV)-based Bottomschas been designed and analyzed. A state-of-the-art Me-4PACz ([4-(3,6-dimethyl-9H-carbazol-9-yl)butyl] phosphonic acid) hole transport layer (HTL) in the perovskite solar cell reported in the previous literature has been considered for the top cell, whereas a calibrated CIGS-based Bottomscwith 16.50% efficiency is designed. Both the Topscand the Bottomscare examined for the tandem configuration using filtered spectra and current-matching techniques. In perovskite/CIGS tandem design, an ideal tunnel recombination junction uses Me-4PACz and ITO layers. In a tandem configuration with matched current density at an absorber thickness of 347 nm for Topscand 2.0 μm for Bottomsc, the device delivered an open-circuit voltage (VOC), current density (JSC), and fill factor (FF) of 1.92 V, 20.04 mA/cm2, and 77%, respectively, resulting in an overall power conversion efficiency (PCE) of 29.7%. The results reported in this work would be beneficial for the development of perovskite-CIGS-based monolithic tandem solar cells in the future.

The present work investigated the quantum capacitance in modified silicene with monovacant as well as divacant defects using density functional theory approach. Similarly non-toxic transition metals (Co, Cu, Ni and Zn) embedded monovalent silicene (MVS) was explored in a quest of high quantum capacitance. Results revealed achievable undercoordinated functionalization due to significant binding at the surface of Si. A more stable configuration of silicene was obtained when four B atoms were used on divalent silicene (DVS) which lead to binding energy value of −1.98 eV. Additionally, all the TM- embedded silicene demonstrated metallic properties which closed the band gap of MVS from 0.6 eV to 0 eV. Substituting with B atoms to the MVS transformed MVS to N-type semiconductor resulting in a band gap of 0.38 eV. Significant increase in quantum capacitance (CQ) values was observed following modifying the MVS with 3B atoms which resulted in CQvalue of 557 μF/cm2. With respect to the Co, Cu, Ni and Zn embedded systems, high values of 117.3, 133, 134 and 192 μF/cm2were obtained, which prompted them to serve as better cathode for asymmetric supercapacitors. This research recommends the use of non-toxic transition metals embedded supercapacitors to reduce ionizing radiations threats to global community.

Layered double hydroxides (LDHs) have received substantial research as manufacturing innovation and prospective photocatalysts for the degradation of organic contaminants due to large surface area, strong anionic exchange capacity, and tunable composition. In this study, we modified Mg/Al-LDHs with Ni and Cr to further enhance their performance in removing Methyl Orange (MO) an anionic dye widely used in textiles, cosmetics, and healthcare products. The modified Mg/Al-LDHs were synthesized using hydrothermal co-precipitation method and characterized by Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), transmission electron microscope (TEM), and X-ray diffraction (XRD). The breakdown rate of MO under solar light was used for evaluating the material's photocatalytic activity. The outcomes demonstrated that the Ni/Mg/Al/Cr (LDH-4) photocatalysts degraded MO more quickly than the undoped substance. The addition of Cr to the Ni/Mg/Al matrix caused the band gap to develop new energy levels, which increased the material's photocatalytic activity. The Ni/Mg/Al doped with Cr has demonstrated tremendous potential as a photocatalysts for the MO degradation.

Assessments for the techno-economic viability of the hybrid renewable energy system have been stimulated due to the frequent price hike and falls of fossil fuels, the derivatives generated during the burning of the fuels that are emitted into the environment, and the very high installation cost of the present day’s conventional photovoltaic energy system. This paper reports on the techno-economic performance assessments of a hybrid renewable energy system for a rural healthcare center in Bangladesh. These healthcare centers are essential for the residents of rural areas in Bangladesh. In this regard, a microgrid solar hybrid photovoltaic system has been designed to power a healthcare center in Gangachara Upazila (sub-district), Rangpur district, a northwest region in Bangladesh. The rooftop PV system comprises 400 Wp solar panels, a 25 kW bi-directional inverter, a 28 kW generator, connecting wires, a mounting system, and related accessories. In this assessment, state-of-the-art PV design software, HOMER Powering Health Tool, has been utilized for estimating the load requirements and for techno-economic and environmental evaluation of the microgrid system. The load analysis revealed that a 32 kW grid–connected solar PV system was required for the selected healthcare and the estimated net present cost was US$ 33,818, with a levelized cost of energy was US$ 0.022.

Proper consideration of the heat transfer-water flow relationship leads to an effective, economical hydronic heating system design Many engineers are under the mistaken impression that the heat transfer-water flow relationship [...]