Solar Cell Configuration Research Articles

First principle insight of CaBS[formula omitted] (B= Sn, Zr and Hf) chalcogenide perovskite as eco-friendly material for photovoltaics

Lead-free perovskite-type materials, renowned for their easy processing and tunable bandgaps, have emerged as a cost-effective alternative for fabricating high-efficiency tandem solar cells. Utilizing density functional theory (DFT) combined with the full-potential linearized augmented plane wave (FP-LAPW) method and the modified Becke-Johnson exchange potential (TB-mBJ), this study investigates the potential of CaBS3 (B = Zr, Hf, and Sn) compounds as promising absorbers for next-generation tandem applications. Our results demonstrate that CaBS3 compounds exhibit semiconducting properties with direct bandgaps. This study investigates the unique properties of CaBS3 perovskites, revealing their potential to enhance the efficiency of next-generation photovoltaic devices. Our findings demonstrate that CaZrS3 exhibits a remarkable Seebeck coefficient of up to 3200 μV/K, indicating superior p-type conduction and enhanced thermoelectric efficiency. Furthermore, the direct bandgaps and ambipolar conductive behavior of these materials position them as strong candidates for photovoltaic applications. Notably, a four-terminal tandem solar cell configuration comprising CaZrS3 and CaSnS3 achieves a peak conversion efficiency of 55.5% at an absorber thickness of 500 nm, surpassing the traditional Shockley-Queisser limit. These results underscore the promising capabilities of CaBS3 perovskites in advancing renewable energy technologies, paving the way for innovative designs in solar energy solutions.This investigation lends empirical credence to the optimization of tandem cell designs, thus catalyzing advancements in next-generation photovoltaic technologies.

Highly efficient 2D transition metal Dichalcogenides/SnSe solar cells using Sb2S3 as a back surface field and interfacial layer engineering

Boosting the performance of solar cells is crucial for advancing photovoltaic technology. This study investigates the integration of alternative 2D materials to enhance the performance of solar cells. Three solar cell configurations sample 1 with CdS, sample 2 with MoS2, and sample 3 with SnS2 are systematically investigated via numerical simulation. The simulation framework is validated against experimental data, demonstrating good agreement. Alternative 2D materials are explored to replace toxic CdS and improve the Voc through suitable band alignment with the absorber material, SnSe. Additionally, Sb2S3 is introduced as a back surface field (BSF) for the first time, resulting in increased efficiencies across all three samples. Further performance enhancements involve the insertion of 2D interfacial layers between the electron transport layer (ETL) and absorber to mitigate interface defects. Thirteen materials are evaluated as interfacial layers and nine metals as back contacts, revealing Ni as the optimal back contact for all samples, while MoS2, SnS2, and WS2 are identified as suitable interfacial layers for samples 1, 2, and 3, respectively. Analysis of the solar cells reveals that sample 2, incorporating MoS2 and SnS2, achieves the highest efficiency at 13.58 %. This outperforms sample 3 at 13.55 % and sample 1 at 13.13 %. Sample 2′s superior performance is attributed to the effective utilization of 2D transition metal dichalcogenide (TMDC) materials, which enhance charge carrier transport and minimize recombination losses within the cell structure. Optimized solar cell configurations are modeled using a one-diode approach to build corresponding modules. These modules, created by connecting solar cells in series and parallel, are evaluated through simulated I-V characteristics and power output under standard test conditions. Analysis reveals that Module 2 exhibits superior performance, with higher short-circuit current (ISC) and open-circuit voltage (VOC) compared to Modules 1 and 3. Overall, this study demonstrates the significant role of 2D TMC materials in advancing solar cell performance, providing valuable insights for future solar energy applications.

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 via Numerical Modeling and Optimization of FASnI3 Perovskite Solar Cell

Perovskite-based solar cells are currently attracting growing interest from researchers and industry alike, thanks to the advantages of this type of solar cell, particularly in terms of manufacturing simplicity and the promising power conversion efficiency, which has recently reached remarkable levels. This paper focuses on numerical simulation to improve the performance of the Formamidinium Tin Iodide (FASnI3) solar cell configuration by using Cerium Dioxide (CeO2) as ETL and Poly (Triaryl Amine) (PTAA) as HTL. The simulation has been carried out using Solar Cell Capacitance Simulator (SCAPS-1D) tool under the spectrum of AM 1.5 G. An intensive modeling has been realized to improve the output parameters of the suggested configuration based on FASnI3 as absorber. The proposed structure (ITO/CeO2/FaSnI3/PTAA/Au) achieves a tremendous power conversion efficiency (PCE) of 39.24%, an open-circuit voltage (VOC) of 1.31 V, a short-circuit current density (JSC) of 33.7 mA/cm2 and a fill factor (FF) of 90.12%.

New Configuration of Solar Cells Based on Perovskites Active Materials

New Configuration of Solar Cells Based on Perovskites Active Materials

Advances in Top Transparent Electrodes by Physical Vapor Deposition for Buffer Layer‐Free Semitransparent Perovskite Solar Cells

The advancements in halide perovskite materials, celebrated for their exceptional optoelectronic properties, have not only led to a remarkable increase in the efficiency of perovskite solar cells (PSCs) but also opened avenues for the development of semitransparent devices. Such devices are ideally suited for integration into building facades and for use in tandem solar cell configurations. However, depositing transparent electrodes (TEs) on top of the charge transport layers in PSC poses significant challenges. Physical vapor deposition (PVD), commonly used in the industry to prepare transparent conducting oxides (TCOs) as TEs, can introduce plasma‐induced damage during the process, which decreases the efficiency of the final devices. While incorporating a buffer layer is the typical approach to mitigate plasma damage, it also increases the complexity and costs of solar cell fabrication. This perspective focuses on the developments of buffer‐free semitransparent PSCs. It highlights the shift away from the typical approach of incorporating a buffer layer. Through a comprehensive analysis of recent research, this work presents successful cases of direct TCO deposition onto transport layers, evaluates scalability and stability, and concludes with recommendations for optimizing PVD processes in the fabrication of buffer‐free PSCs.

(Invited) Ultrafast Excited Electron Relaxation in Triply Fused Ni(II) Porphyrin-Nanographene Conjugates for Energy Conversion

Porphyrins are appealing building blocks for solar energy applications, although their photosensitization capability is limited by their large optical energy gap, resulting in a mismatch in absorption for efficient harvesting of the solar spectrum. Porphyrin π-extension by edge-fusing with nanographenes can be employed to narrow their optical energy gap, enabling the development of porphyrin-based panchromatic dyes with an optimized energy onset for solar energy conversion in dye-sensitized solar fuel and solar cell configurations. Metalloporphyrin-nanographene conjugates based on open-shell transition metals, such as Ni(II), exhibit panchromatic absporption covering the entire visible and part of the near-IR spectral range. Dispite this interesting property, they exhibit fast excited-state electronic relaxation across the Ni d levels, which hampers harnessing photoexcited electrons to trigger photophysical or photochemical reactions. In this work, we shed light into the underlying mechanism behind fast non-radiative relaxation in these systems. Variable temperature transient absorption and global fit analysis are combined with time-dependent density functional theory to produce a picture of the relevant excited states and underlying relaxation pathways in the conjugates. At room temperature, photoexcitation to the lowest S1* energy level is followed by vibrational cooling in 1-2 ps, and intersystem crossing in > 10 ps, setting a short temporal window wherein a small fraction of relaxed singlets decay to the ground state. Following intersystem crossing and triplet internal conversion, triplets relax rapidly to the ground state (S0) in few tens of picoseconds. By performing measurements at low temperature, we provide evidences for the interplay of a lowest terminal triplet level with > 1 ns lifetime which acts as a bottleneck, and a sloped conical intersection to S0* which is thermally accessible at room temperature from the former energy level. The overall triplet decay is dictated by the contributions that fall along these two photophysical branches. This observation bears significance in understanding how nanographene functionalization leads to a profound effect, opening avenues for potential applications in Optoelectronics and related fields.[1] Garcia-Orrit, S., Vega-Mayoral, V., Chen, Q., Serra, G., Paternò, G. M., Cánovas, E., Narita, A., Müllen, K., Tommasini, M., Cabanillas-González, J., Nanographene-Based Decoration as a Panchromatic Antenna for Metalloporphyrin Conjugates. Small 2023, 19, 2301596.[2] Garcia-Orrit, S. et al., in preparation Figure 1

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

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

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

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

Numerical design of non-toxic high-efficiency tandem solar cell with distinct hole transport materials

The metal-halide perovskite is at the forefront of photovoltaic research and has the potential to combine low manufacturing costs with excellent power conversion efficiency. In this study, a solar cell capacitance simulator was used to analyze the performance of a tandem solar cell in which MASnI3 was used as the lower cell active layer, and NaZn0.7Cu0.3Br3 was used as the upper cell active layer. The primary objective of this research is to search for a device structure with enhanced efficiency. Here, it is evaluated how absorber thickness, temperature, hole transport layer, defect density, and metal work function affect solar cell performance to reach this aim. After looking at the data for several different solar cell configurations, it is seen that indium tin oxide (ITO) / titanium dioxide (TiO2)/sodium zinc copper bromide (NaZn0.7Cu0.3Br3)/ methylammonium tin iodide (MASnI3) / copper oxide (CuO)/gold (Au) offers the best efficiency at 32.58 %, fill factor at 82.19 %, short circuit current density at 34.8389 mA/cm2, and open circuit voltage at 1.1375 Vs. Device simulations showed an optimal MASnI3 absorber thickness of about 1 µm. Finally, the simulation results reveal that the device's efficiency declines when the absorber's defect density and cell operation temperature rise. The device topologies are stable at around 300 Kelvin. Last but not least, any conductive material can be used as an anode if it has a work function that is more than or roughly equivalent to 5.10 eV.

Enhancing stability and efficiency in SnO2 based HTL-free, printable carbon-based perovskite solar cells for outdoor/indoor photovoltaics

Recent advancements in hole transport layer (HTL)-free, printable carbon-based perovskite solar cells (C-PSCs) have gained increased research interest. Notably, their scalability, cost-effectiveness, and improved stability make them particularly attractive among various perovskite solar cell configurations. In the current study, we explored the potential of un-encapsulated, HTL-free, C-PSCs in outdoor and indoor light conditions, employing different concentrations of tin oxide (SnO2) as the electron transport material. Among the investigated concentrations, 0.07 M SnO2 precursor yielded the highest power conversion efficiency (PCE), reaching 9.79% under standard 1 sun illumination and 10.40% at a lower intensity of 0.6 sun. The PSCs demonstrated a remarkable 22.37% efficiency under 1000 lx indoor CFL illumination, and attained 22.21% efficiency under LED illumination, marking the highest reported indoor photovoltaic performance for carbon-based, HTL-free PSCs. To elucidate the underlying charge-transfer process, we carried out intensity-dependent current−voltage (J-V) measurements to analyze non-radiative bulk recombination in the perovskite layer. Interfacial recombination was investigated using electrochemical impedance spectroscopy (EIS) and transient photovoltage decay measurements. Optical and electrical stimulation of C-PSCs were performed under both full sun and indoor illumination, providing insight into recombination and light absorption differences under these illuminations. Additionally, we also showcased the potential of simple, printable indoor light harvesters for self-powered applications by connecting two C-PSCs to create a self-powered temperature sensor.

Adsorption and electron injection studies in N719 sensitized Ag[formula omitted], Au[formula omitted] implanted and O2 annealed titania films

The device performance of novel solar cell configurations with porphyrin, hybrid perovskite-based materials as sensitizers depends on the interfacial processes and engineered interfaces with characteristic material properties can be fabricated employing energetic ion implantations. In this experimental work, the dye adsorption, optical absorption and interfacial electron injection in N719 sensitized Ag−, Au−, sequentially impinged and O2 annealed titania films were studied. Prior to the dye sensitization process, impinged samples were fabricated employing mono-ion type, sequential implantations and a set of the as-implanted films were annealed at 450 °C for 1 h in O2 environment. The N719 molecules are adsorbed onto Ag−, Au− impinged films through SCN ligands, indicated by the appearance of new Raman modes ν(Ag-S), ν(Au-S) respectively. The 1MLCT, 3MLCT bands of the dye molecules are altered upon implantation and annealing processes. A fast interfacial electron injection process with τ2∼3.7 ps has been observed in the sensitized annealed sequentially impinged film at 6 × 1015 ions cm−2 (sensitized pristine TiO2 exhibits τ2∼51 ps) and is attributed to Ag−, Au− implants introducing new states to the conduction band of anatase TiO2. The ability of ion-implantation technique to introduce new states to the band structure of materials has enormous significance in photo-catalytic, water-splitting, solar cell and hot electron injection technologies.

Scrutinizing transport phenomena and recombination mechanisms in thin film Sb2S3 solar cells

The Schockley–Quisser (SQ) limit of 28.64% is distant from the Sb2S3 solar cells’ record power conversion efficiency (PCE), which is 8.00%. Such poor efficiency is mostly owing to substantial interface-induced recombination losses caused by defects at the interfaces and misaligned energy levels. The endeavor of this study is to investigate an efficient Sb2S3 solar cell structure via accurate analytical modeling. The proposed model considers different recombination mechanisms such as non-radiative recombination, Sb2S3/CdS interface recombination, Auger, SRH, tunneling-enhanced recombination, and their combined impact on solar cell performance. This model is verified against experimental work (Glass/ITO/CdS/Sb2S3/Au) where a good coincidence is achieved. Several parameters effects such as thickness, doping, electronic affinity, and bandgap are scrutinized. The effect of both bulk traps located in CdS and Sb2S3 on the electrical outputs of the solar cell is analyzed thoroughly. Besides, a deep insight into the effect of interfacial traps on solar cell figures of merits is gained through shedding light into their relation with carriers’ minority lifetime, diffusion length, and surface recombination velocity. Our research findings illuminate that the primary contributors to Sb2S3 degradation are interfacial traps and series resistance. Furthermore, achieving optimal band alignment by fine-tuning the electron affinity of CdS to create a Spike-like conformation is crucial for enhancing the immunity of the device versus the interfacial traps. In our study, the optimized solar cell configuration (Glass/ITO/CdS/Sb2S3/Au) demonstrates remarkable performance, including a high short-circuit current (JSC) of 47.9 mA/cm2, an open-circuit voltage (VOC) of 1.16 V, a fill factor (FF) of 54%, and a notable improvement in conversion efficiency by approximately 30% compared to conventional solar cells. Beyond its superior performance, the optimized Sb2S3 solar cell also exhibits enhanced reliability in mitigating interfacial traps at the CdS/Sb2S3 junction. This improved reliability can be attributed to our precise control of band alignment and the fine-tuning of influencing parameters.

Optimizing thin-film silicon solar cells with nanostructured TiO2 and a silver back reflector for enhanced energy conversion efficiency

This paper investigates the improvement of energy conversion efficiency in thin-film silicon solar cells by employing periodic nanostructures of TiO2 on the silicon active layer and a back reflector featuring periodic nanostructures of silver. The objective is to increase the optical path length, enhance absorption probability for longer wavelengths, and subsequently improve solar cell performance. Three silicon-based solar cell configurations are proposed and simulated using the finite difference time domain (FDTD) method to assess their performance. Electrical characteristics are obtained through the drift-diffusion method. The resulting short-circuit current density increased from 40.93 to 65.28 to 95.373mA/cm2 for the three cells, leading to significant improvements in conversion efficiency with observed values of 20.39%, 33.26%, and 47.28%, respectively, in the optimized structures. Furthermore, we compare the simulation results of the three structures with those of a reference structure and several structures previously proposed in the literature.

Bagasse derived N-doped graphitic carbon encapsulated cobalt nanoparticles as an efficient bifunctional catalyst for water splitting reactions

The utilization of non-precious metal-based electrodes to unlock cost-effective and scalable processes for the production of clean energy is highly desirable. Herein, we reported a straightforward hydrothermal carbonization method for the synthesize of nitrogen-doped graphitic carbons integrated with cobalt (Co@NGC-600, Co@NGC-700, and Co@NGC-800) from sugarcane bagasse and their electrocatalytic applications in oxygen and hydrogen evolution reactions. The graphitic nature of the Co integrated N-doped carbon materials was confirmed by Raman and XPS analysis. FESEM and HRTEM analysis confirms the dispersion of Co on N-doped carbon nanosheets. The Co@NGC-800 catalyst shows low overpotential and Tafel slope, requiring only 304 mV (84.1 mV dec−1) for oxygen electrode and 234 mV (118 mV dec−1) for HER at a current density of 10 mA cm−2. Moreover, Co@NGC-800 materials showed better activity than Co@NGC-700, Co Co@NGC-600, and Co@NC. The active Co@NGC-800 bifunctional electrocatalysts pair contributes to the fabrication of a water electrolyser with a 10 mA/cm2 current density at 1.68 V. The Co@NGC-800 // Co@NGC-800 electrocatalyst exhibits good stability over a period of 24 h with negligible potential aberration during the process of water splitting. The electrocatalytic performance of the prepared catalyst in a 1.0 M KOH solution exhibits admirable bifunctional activity and remarkable stability. In fact, it outperforms cobalt-based and carbon-supported electrocatalysts, including highly valued commercial catalysts like IrO2 and Pt@C. The solar cell configuration, utilizing the energetic bifunctional Co@NGC-800 electrocatalyst, can continuously generate hydrogen and oxygen. The overall water-splitting process of Co@NGC-800 catalyst delivered at a cell voltage of 1.68 V, enabling sustained and efficient oxygen and hydrogen evolution at a large scale.

Enhancing Photoconversion Efficiency by Optimization of Electron/Hole Transport Interlayers in Antimony Sulfide Solar Cell using SCAPS-1D Simulation.

Enhancing photoconversion efficiency in a solar cell with the composition "glass/Mo/CUSbS3/ Sb2S3/CdS/i:ZnO/AL:ZnO" by varying the thickness of the absorption layer (Sb2S3) and adding a secondary absorption layer was performed. The thickness of the original absorption layer (Sb2S3) was gradually increased from (1 µm) to (3.5 µm). The best efficiency (23.14%) and filling factor (87.52%) were achieved with an absorption layer thickness of 3.5 µm. This indicates that a thicker absorption layer can enhance efficiency.
 A secondary absorption layer was introduced between the original absorption layer and the reflection layer. Several materials were considered for this secondary absorption layer, including MAPbI3, Sb2Se3, CZTS, and CZTSe. The best-performing secondary absorption layer was found to be Sb2Se3. The solar cell structure, after combining it with the best reflection layer (CUSbS3) and the optimized thickness for the original absorption layer (3.5 µm), was established as "glass/Mo/CUSbS3/Sb2Se3/Sb2S3/CdS/i:ZnO/Al:ZnO".
 The optimized solar cell configuration yielded the best conversion efficiency (27.01%) and a high filling factor (85.12%).
 These results highlight the significance of layer thickness and the addition of secondary absorption layers in enhancing the solar cell efficiency. The final configuration demonstrates substantial improvements in efficiency and suggests that thoughtful design and material choices can lead to more efficient photovoltaic devices.

Optimizing Sb2Se3 thin-film solar cells: A comprehensive simulation study of multiple influential factors

This article presents a comprehensive simulation study of Sb2Se3-based thin-film solar cells, exploring critical parameters that influence their performance and efficiency. We demonstrate that tuning the Sb2Se3 thickness offers a versatile approach to optimize light absorption and charge transport, offering promising avenues for efficiency enhancement. Furthermore, we highlight the pivotal role of carrier concentration variation in balancing carrier mobility and recombination, enabling fine-tuned control over device performance. Investigating the work function values of back contact metals uncovers crucial insights into open-circuit voltage, short-circuit current, and efficiency. Temperature effects are examined, emphasizing the need for effective thermal management strategies to ensure stable and efficient operation over a wide range of environmental conditions. The study underscores the significance of the HTL in improving charge carrier collection and reducing recombination losses. Lastly, our exploration of cadmium-free design underscores the industry's commitment to sustainable and environmentally friendly photovoltaic technologies. Overall, this simulation study advances our understanding of Sb2Se3-based solar cells and offers valuable guidance for optimizing their performance, ultimately contributing to the development of efficient and eco-friendly renewable energy solutions. Post-optimization, our findings indicate an impressive efficiency of 23.39%, with a noteworthy efficiency level of 23.02% achieved for cadmium-free solar cell configurations.

Surface heterojunction based on n-type low-dimensional perovskite film for highly efficient perovskite tandem solar cells.

Enhancing the quality of junctions is crucial for optimizing carrier extraction and suppressing recombination in semiconductor devices. In recent years, metal halide perovskite has emerged as the most promising next-generation material for optoelectronic devices. However, the construction of high-quality perovskite junctions, as well as characterization and understanding of their carrier polarity and density, remains a challenge. In this study, using combined electrical and spectroscopic characterization techniques, we investigate the doping characteristics of perovskite films by remote molecules, which is corroborated by our theoretical simulations indicating Schottky defects consisting of double ions as effective charge dopants. Through a post-treatment process involving a combination of biammonium and monoammonium molecules, we create a surface layer of n-type low-dimensional perovskite. This surface layer forms a heterojunction with the underlying 3D perovskite film, resulting in a favorable doping profile that enhances carrier extraction. The fabricated device exhibits an outstanding open-circuit voltage (VOC) up to 1.34V and achieves a certified efficiency of 19.31% for single-junction wide-bandgap (1.77eV) perovskite solar cells, together with significantly enhanced operational stability, thanks to the improved separation of carriers. Furthermore, we demonstrate the potential of this wide-bandgap device by achieving a certified efficiency of 27.04% and a VOC of 2.12V in a perovskite/perovskite tandem solar cell configuration.

The charm of entwining two major competitors CZTS & CH3NH3SnI3 to feasibly explore photovoltaic world beyond Shockley–Queisser limit

Many studies have reported CH3NH3SnI3-based solar cell having CZTS as hole transporter. In this paper, we have presented for the first time, an intensive analysis on CZTS-based solar cell device performance which has CH3NH3SnI3 as hole transporter. The proposed solar cell configuration is CH3NH3SnI3/CZTS/CdS/ZnO/AZO. The device optimization is performed in terms of layer thickness, carrier concentration, defect density, electron affinity, series resistance and shunt resistance. During optimization process, analysis of evolution in band structure, electric field, recombination rate and generation rate is utilized to provide proper explanation of device behavior. Finally, device is shown to perform very efficiently and reach highest efficiency value of 37.12 %. This sets up a new record in the history of theoretical development of CZTS-based solar cells. Moreover, it can be noted that the proposed experimentally-achievable solar cell has the potential to exceed the Shockley–Queisser limit for single-junction CZTS solar cells (32.1 %). The choice of CH3NH3SnI3 as an HTL in CZTS-based solar cell significantly enhances the electric field generation and substantially suppresses the recombination rate. Furthermore, the grace of series resistance optimization is discovered to lead to a very highly efficient device that performs beyond Shockley–Queisser limit.

Optimization of preparation conditions and design of device configurations for Cu3AsS4 solar cells: a combined study of first-principles calculations and SCAPS-1D device simulations.

Former studies have investigated the band structure and optoelectronic properties of Cu3AsS4 and suggested that it is a promising photovoltaic (PV) absorber. However, its power conversion efficiency (PCE) from experiments is still unsatisfactory and detailed experimental optimization strategies are lacking. Here, combining first-principles calculations and SCAPS-1D device simulations, we have systematically studied the optoelectronic and defect properties of Cu3AsS4 to find the suitable growth conditions and have performed various device simulations by adjusting the constituent layers to optimize the device configuration of the Cu3AsS4 solar cell. Our results demonstrated that the defect and hole concentrations can be regulated to a reasonable range as the PV absorber in metal-rich and S-poor growth environments with a low growth temperature of 500 K. Owing to the large cliff-like conduction band offset between the traditional buffer layers CdS and Cu3AsS4, the open-circuit voltage loss is large and the corresponding PCE is low. The PCE can be improved by adopting the new buffer layers with low electron affinity. The corresponding n-type transparent electrode is further optimized. Finally, the solar cell with the configuration of FTO/WO3/Cu3AsS4/Mo is suggested and its PCE can reach an optimal value of 17.82%.