Performance Of Photovoltaic Devices Research Articles

Mapping of Internal Ionic/Electronic Transient Dynamics in Current-Voltage Operation of Perovskite Solar Cells.

Metal halide perovskites are mixed ionic-electronic semiconductors that involve an important and particular phenomenology that negatively affects the performance and stability of next-generation photovoltaic devices based on such material. The ionic nature of perovskites is shown to undergo not only a simple redistribution of charges but also influences the electronic processes and ultimately the steady-state device operation. Nevertheless, a comprehensive understanding of the internal contributions of ionic and electronic conductivities to the evolution of current during device performance experiments and to degradation losses in ageing tests is currently missing. Here the ionic- and electronic-based currents are separately shown in photovoltaic perovskites by means of transient experiments, beyond the external measured response. From an advanced mathematical model, the experimental observations attributing the partial transient features to physical effects in perovskites are rationalized. It is revealed that ion-driven surface recombination effects are a dominant factor in the slowdown of efficiency measurements and in the long-term degradation of perovskites under operational conditions. This work contributes to tracing a more accurate physical picture of the complex energy landscape of the perovskite-based solar cells, which will be key to taking steps toward industrialization.

Dimeric Acceptors Using Different Central Linkers to Manipulate Electronic and Morphological Properties

AbstractDimerized acceptors show promise in combining the high performance of small‐molecule non‐fullerene acceptors (NFAs) with the excellent stability of polymer acceptors. The central linking units that connect two acceptor molecules together have a profound impact on dimeric acceptor properties and structure‐performance relationships in blended thin films. It is seen that different linkers significantly affect the electronic properties and morphology in blended thin film. The electron‐donating linker elevates the absorption coefficient, affords a lower bandgap, and reduces energy loss, and thus better photovoltaic device performance. Better fibrillar morphology can be obtained. The best material DY‐EDOT‐based device shows a power conversion efficiency (PCE) of 18.21%, an open‐circuit voltage (Voc) of 0.924 V, a short‐circuit current density (Jsc) of 25.20 mA cm−2, a fill factor (FF) of 78.19%, which is among the highest value for dimerized acceptors. This study reveals the fundamental importance of linker units in determining the dimerized acceptor properties and provides useful strategies for developing oligomeric and polymeric acceptors, which is critical in simultaneously improving the performance and stability of organic solar cells (OSCs).

Tuning the morphology and energy levels in organic solar cells with metal–organic framework nanosheets

Metal–organic framework nanosheets (MONs) have proved themselves to be useful additives for enhancing the performance of a variety of thin film solar cell devices. However, to date only isolated examples have been reported. In this work we take advantage of the modular structure of MONs in order to resolve the effect of their different structural and optoelectronic features on the performance of organic photovoltaic (OPV) devices. Three different MONs were synthesized using different combinations of two porphyrin-based ligands meso-tetracarboxyphenyl porphyrin (TCPP) or tetrapyridyl-porphyrin (TPyP) with either zinc and/or copper ions and the effect of their addition to polythiophene-fullerene (P3HT-PC71BM) OPV devices was investigated. The power conversion efficiency (PCE) of devices was found to approximately double with the addition of MONs of Zn2(ZnTCPP) -4.7% PCE, 10.45 mA/cm2 short-circuit current density (JSC), 0.69 open-circuit voltage (VOC), 64.20% fill-factor (FF), but was unchanged with the addition of Cu2(ZnTPyP) (2.6% PCE, 3.68 mA/cm2JSC, 0.59 VOC, 46.27% FF) and halved upon the addition of Cu2(CuTCPP) (1.24% PCE, 6.72 mA/cm2JSC, 0.59 VOC, 56.24% FF) compared to devices without nanosheets (2.6% PCE, 6.61 mA/cm2JSC, 0.58 VOC, 56.64% FF). Our analysis indicates that there are three different mechanisms by which MONs can influence the photoactive layer – light absorption, energy level alignment, and morphological changes. Analysis of external quantum efficiency, UV–vis and photoelectron spectroscopy data found that MONs have similar effects on light absorption and energy level alignment. However, atomic force and Raman microscopy studies revealed that the nanosheet thickness and lateral size are crucial parameters in enabling the MONs to act as beneficial additives resulting in an improvement of the OPV device performance. We anticipate this study will aid in the design of MONs and other 2D materials for future use in other light harvesting and emitting devices.

Minimizing interfacial energy losses via fluorination strategy toward high-performance air-fabricated perovskite solar cells

Sub-bandgap state-induced radiative recombination and trap-assisted nonradiative recombination at the interface between the perovskite layer and hole transport layer in n-i-p perovskite solar cells (PSCs) significantly limit further improvements in power conversion efficiency (PCE) and stability. In this work, we introduce a simple yet effective fluorination strategy to mitigate these recombination losses by simultaneously achieving defect passivation, tensile strain release, and modulation of interfacial energy band alignment. The incorporation of fluorine (F) groups not only enhances defect passivation through strong chemical bonding but also improves the moisture resistance of perovskite films and devices. We reveal the critical influence of the number and position of F groups on the benzene ring in determining device photovoltaic performance. PSCs modified with 3,5-difluoro-benzamidine hydrochloride (3,5-DFBH) demonstrate a remarkable PCE of 24.57 %, coupled with enhanced long-term stability. These PSCs, among the highest-performing devices fabricated in ambient air, maintained over 90 % of their initial power conversion efficiency (PCE) after 2700 h of storage at 10 % to 20 % relative humidity, and withstood 1700 h of exposure to heat at 65 °C. This work provides a viable pathway to simultaneously improve both the photovoltaic performance and stability of PSCs by mitigating sub-bandgap and trap-assisted recombination through fluorination.

Removal of Residual Additive Enabling Perfect Crystallization of Photovoltaic Perovskites.

Achieving high-efficiency perovskite solar cells (PSCs) hinges on the precise control of the perovskite film crystallization process, often improved by the inclusion of additives. While dimethyl sulfoxide (DMSO) is traditionally used to manage this process, its removal from the films is problematic. In this work, methyl phenyl sulfoxide (MPSO) was employed instead of DMSO to slow the crystallization rate, as MPSO is more easily removed from the perovskite structure. The electron delocalization associated with the benzene ring in MPSO decreases the electron density around the oxygen atom in the sulfoxide group, thus reducing its interaction with PbI2. This strategy not only sustains the formation of a crystallization-slowing intermediate phase but also simplifies the elimination of the additive. Consequently, the optimized PSCs achieved a leading power conversion efficiency (PCE) of 25.95 % along with exceptional stability. This strategy provides a novel method for fine-tuning perovskite crystallization to enhance the overall performance of photovoltaic devices.

Removal of Residual Additive Enabling Perfect Crystallization of Photovoltaic Perovskites

AbstractAchieving high‐efficiency perovskite solar cells (PSCs) hinges on the precise control of the perovskite film crystallization process, often improved by the inclusion of additives. While dimethyl sulfoxide (DMSO) is traditionally used to manage this process, its removal from the films is problematic. In this work, methyl phenyl sulfoxide (MPSO) was employed instead of DMSO to slow the crystallization rate, as MPSO is more easily removed from the perovskite structure. The electron delocalization associated with the benzene ring in MPSO decreases the electron density around the oxygen atom in the sulfoxide group, thus reducing its interaction with PbI2. This strategy not only sustains the formation of a crystallization‐slowing intermediate phase but also simplifies the elimination of the additive. Consequently, the optimized PSCs achieved a leading power conversion efficiency (PCE) of 25.95 % along with exceptional stability. This strategy provides a novel method for fine‐tuning perovskite crystallization to enhance the overall performance of photovoltaic devices.

Titanium Dioxide: A Versatile Earth‐Abundant Optical Material for Photovoltaics

AbstractTitanium dioxide (TiO2) has long been receiving attention as a promising material for enhancing the performance of photovoltaic devices due to its tunable optoelectronic properties. This paper reviews the utilization of TiO2 in recent photovoltaic applications, focusing primarily on its role as an optical material. The fundamental properties of TiO2 are reviewed, such as its wide bandgap and unique property of tunable refractive index. Furthermore, various strategies are discussed to harness the fundamental properties of TiO2 to improve light absorption and charge carrier generation within various photovoltaic devices. Overall, the pivotal role of TiO2 as an Earth‐abundant and non‐critical optical material is highlighted for future advances in the power conversion efficiency and viability of photovoltaic technologies, paving the way for future research and developments aimed at achieving sustainable and cost‐effective solar energy conversion.

Eco-friendly synthesis of Nd³⁺-doped Eu₂O₃ nanoparticles for enhanced dye-sensitized solar cells utilizing oxalis Corniculata leaf extract

An environmentally friendly synthesis of Nd³⁺-doped Eu₂O₃ nanoparticles (NPs) was developed using Oxalis Corniculata leaf (OCL) extract to enhance the performance of dye-sensitized solar cells (DSSCs). The as-synthesized NPs were annealed at 600 °C to improve their crystallinity. X-ray diffraction and field-emission scanning electron microscopy revealed high crystallinity and a sub-100 nm spherical morphology. Annealing reduced the NP size from ∼85 nm to ∼45 nm and decreased the bandgap from 4.97 eV to 4.62 eV, enhancing low-energy photon absorption. Fourier-transform infrared spectroscopy showed changes in the chemical bonding environment, with a higher presence of dangling bonds in the as-prepared NPs compared to the 600 °C-annealed NPs, likely due to the OCL extract. Photoluminescence spectra confirmed strong red emission peaks at 580 nm and 612 nm, with a slight reduction in the full width at half maximum of the electric dipole transition after annealing. Integrating these NPs into TiO₂ matrices in DSSCs improved power conversion efficiency to 8.58%, outperforming both as-prepared NPs (6.88%) and bare TiO₂ cells (5.05%). This green synthesis approach offers a sustainable pathway for slightly enhancing performance of photovoltaic devices, with additional potential for UV-shielding applications when incorporated into PVA films.

Effect of Sulfurization Temperature on Properties of Cu2ZnSnS4 Thin Films and Diffusion of Ti Substrate Elements

The addition of flexible Cu2ZnSnS4 (CZTS) thin film solar cells to titanium (Ti) substrates is an attractive way to achieve the low-cost manufacturing of photovoltaics. Prior research has indicated that the appropriate diffusion of Ti elements can enhance the crystalline growth of CZTS films. However, the excessive diffusion of Ti has been shown to adversely affect the photovoltaic performance of CZTS photovoltaic devices. Therefore, it is essential to regulate the diffusion of Ti elements within CZTS thin films to optimize their photovoltaic properties. The tendency for Ti substrate elements to diffuse into CZTS films is also influenced by the activation energy associated with these Ti elements. The sulfurization temperature is posited to be a critical factor in modulating the diffusion and activation energy of Ti elements within CZTS thin films. Consequently, this research investigates the alteration of the sulfurization temperature of CZTS thin films in order to enhance the properties of these thin films and to examine the diffusion behavior of titanium elements. The results reveal that as the sulfurization temperature increases, the diffusion of Ti elements within the CZTS thin films initially increases, then decreases, and subsequently increases again. This pattern suggests that the diffusion of Ti elements is affected not only by the activation energy of the Ti elements but also by the defect hopping distance within the CZTS thin films. Notably, at a sulfurization temperature of 550 °C, the grains at the base of the CZTS thin film demonstrate an increased density, which is associated with a reduced defect hopping distance, thereby hindering the diffusion of Ti elements within the CZTS thin films. Furthermore, at this specific sulfurization temperature, the slope of the current–voltage (I–V) curve for the CZTS/Ti structure reaches its maximum, indicating optimal ohmic contact characteristics.

High efficiency homojunction tandem organic solar cells with all solution processable interconnect layer

In the field of organic photovoltaics, the power conversion efficiency of single junction solar cells continues to improve. However, tandem organic solar cells are poised to push the efficiency limits even further and offer a promising avenue for improving the performance of organic photovoltaic devices. This study reports the development of an all-solution processed interconnecting layer (ICL) based on ZnO NPs:PEI/PEI/PEDOT:PSS/2PACz for tandem solar cells. The PM6:BTP-eC9 active layer material was adjusted for its donor-to-acceptor (D/A) ratio and film thickness as the front and back sub-cells. The ICL exhibits favorable mechanical, electrical and optical properties. Through multidimensional modulation, the front and rear sub-cells have been optimized to obtain highly efficient homojunction tandem solar cells. The tandem solar cell has a structure of indium tin oxide (ITO)/PEDOT:PSS/2PACz/active layer/ICL/active layer/PNDIT-F3N/Ag. This optimization resulted in a power conversion efficiency (PCE) of 19.9 %, which is the highest reported efficiency for homojunction tandem organic solar cells to date. Our research demonstrates that the PCE of homojunction tandem cells can be significantly improved by careful design of the interconnecting layers and optimization of the donor-to-acceptor (D/A) ratio. This strategy may provide guidance for further improvements in homojunction tandem cells.

In Situ IR Spectroscopy Studies of Atomic Layer-Deposited SnO2 on Fullerenes for Perovskite Photovoltaics.

In recent years, atomic layer deposition (ALD) has established itself as the state-of-the-art technique for the deposition of SnO2 buffer layers grown between the fullerene electron transport layer (ETL) and the ITO top electrode in metal halide perovskite-based photovoltaics. The SnO2 layer shields the underlying layers, i.e., the fullerene-derivative materials such as C60 and PCBM, as well as the perovskite absorber, from water ingress and damage induced by the sputtering of the transparent front contact. Our study undertakes a comprehensive investigation of the impact of SnO2 ALD processing on fullerenes by means of in situ spectroscopic ellipsometry (SE) and transmission infrared spectroscopy (FTIR). While no difference in SnO2 bulk properties is observed and the perovskite absorber degradation is nearly entirely avoided during exposure to heat and vacuum, when the absorber is introduced beneath the organic ETLs, a SnO2 growth delay of about 50 ALD cycles is measured on PCBM, whereas the delay is limited to 10 cycles in the case of growth on C60. Notably, FTIR measurements show that while C60 remains chemically unaffected during SnO2 ALD growth, PCBM undergoes chemical modification, specifically of its ester groups. The onset of these modifications corresponds with the detection of the onset, after the initial delay, of ALD SnO2 growth. It is expected that the modification that the PCBM layer undergoes upon ALD SnO2 processing is responsible for the systematic lower photovoltaic device performance in the case of PCBM-based devices, with respect to C60-based devices.

Buried Interface Engineering‐Assisted Defects Control and Crystallization Manipulation Enables Stable Perovskite Solar Cells with Efficiency Exceeding 25%

AbstractThe presence of various defects within the electron transport layer (ETL), the perovskite (PVK) layer, and their interfaces significantly affects the efficiency, hysteresis, and stability of perovskite solar cells (PSCs) in n–i–p structure. Herein, a defect passivation strategy employing potassium 4‐methoxysalicylate (MSAK) is utilized to efficiently modulate the defects in the ETL, PVK, and ETL/PVK interface. The functional groups −COO− and −OH in MSAK molecules, along with the K+ cations, effectively reduce the defects of tin oxide (SnO2) and improve the electron transport properties. Importantly, the MSAK‐SnO2 provides a favorable substrate for the growth of highly crystallization and dense perovskite layers. The MSAK molecules also significantly passivate the bottom interface defects of the PVK layer by coordinating with under‐coordinated Pb2+ ions. Furthermore, K+ cations can migrate into the PVK layer, further enhancing crystallization and improving the photovoltaic performance of PSC devices. PSCs fabricated using the defect passivation strategy based on MSAK achieve a remarkable power conversion efficiency (PCE) of 25.47%, alongside reduced hysteresis and enhanced stability. After being stored under ambient conditions for 60 days, the device with MSAK maintains nearly 90% of its initial PCE, whereas the PCE of the pristine device decreases to 69.7% after aging.

Ag nanoparticles at p-Si/ MAPbI3 perovskite interface: improved photo responsivity and response speed in photodetection

Although enhanced performances of photovoltaic devices by embedding metal nanoparticals in charge transport layer, doping into active layer bulk, decorating the active layer surface, and inserting at the interface between semiconductor and the electrode were reported, the effect of incorporating metal NPs at the interface of single crystal semiconductor and perovskite is rarely tackled. Herein the effects of incorporating Ag nanoparticals (AgNPs) at p-Si/MAPbI3 perovskite interface on the photodiode performances were investigated. The results showed that compared with reference device (without AgNPs) the photoresponsivity of the device incorporating AgNPs is greatly improved with the exception for light with wavelengths fall in the spectral range where AgNPs have strong optical absorption. This effect is extremely significant for relatively shorter wavelengths in visible region, and a maximal improvement of around 10.6 times in photoresponsivity was achieved. The physical origin of the exception for spectral range that AgNPs have strong optical absorption is the cancelation of scatter resulted enhancement through AgNPs by band-to-band absorption resulted reduction of photocurrent, in which the generated electron has energy near the fermi level and the hole has large effective mass, which relax by nonradiative recombination, thus making not contribution to the photocurrent. More importantly, the AgNP decorated device showed much faster photo response speed than reference device, and a maximal improvement of around 7.9 times in rise and fall time was achieved. These findings provide a novel approach for high responsive and high speed detection for weak light.

Interplay between strain and charge in Cu(In,Ga)Se2 flexible photovoltaics

Flexible and lightweight Cu(In,Ga)Se2 (CIGS) thin-film solar cells are promising for versatile applications, but there is limited understanding of stress-induced changes. In this study, the charge carrier generation and trapping behavior under mechanical stress was investigated using flexible CIGS thin-film solar cells with various alkali treatments. Surface current at the CIGS surface decreased by convex bending, which occurs less with the incorporation of alkali metals. The formation energy of the carrier generating defects increased in convex bending environments clarifying the degradation of the surface current. Moreover, alkali-related defects had lower formation energy than the intrinsic acceptors, mitigating current degradation in mechanical stress condition. The altered defect energy levels were attributed to the deformation of the crystal structure under bending states. This study provides insights into the mitigating of strain-induced charge degradation for enhancing the performance and robustness of flexible CIGS photovoltaic devices.

Strain effects on the structural stability and defect properties of γ-CsPbI3

Black γ phase CsPbI3 exhibits better structure stability at room temperature, making it a compelling candidate for perovskite solar cells. However, the long-term stability remains a challenge due to lattice strain. Here, the lattice structure stability and defect properties of γ-CsPbI3 under biaxial strains on the different planes were investigated by first-principles method. The results show that the tensile strain effectively reduces the PbI6 octahedral tilt to maintain the structural stability and improves the defect formation energies of VI, VPb, VCs and ICs, while the compressive strain can increase the formation energies of IPb and CsPb, hinders the diffusion of VI along the octahedral path and makes the defect level of VI shallower. The biaxial strain on the (001) plane is favourable for decreasing the formation enthalpy difference and maintaining the shallow level of VI to preserve the black phase structure, whereas that on the (100) plane is more beneficial for modulating these properties. This work offers theoretical guidance for applying strain to influence structure stability and suppress defect formation in γ-CsPbI3. Furthermore, it proposes a strategy utilizing lattice strain to modulate the energy levels of defects, thereby facilitating their passivation and enhancing device performance of perovskite photovoltaics.

Enhancing the photovoltaic properties of phenothiazine-based chromophores via structural integration of selenophene analogues

A series of oligomer-type donor photovoltaic materials (MP2–MP9) were designed via the incorporation of selenophene unit (n = 1–8) in MP1 as π-spacer. In order to accomplish the electronic, photophysical, and photovoltaic (PV) behavior of MPR and MP1–MP9, quantum chemical calculations were performed through the density functional theory (DFT) approach. The M06/6-311G (d,p) level was selected for current investigation through a benchmark study between experimental and DFT values of λmax at various functionals of MPR compound. Descending in energy gap (3.058–2.476 eV) with wider absorption wavelength (652.998–513.392 nm) in dichloromethane along with greater charge transmission were probed with the addition of selenophene unit as compared to MPR. The studied chromophores were perceived to have Voc and FF ranging from 1.320–1.728 V and 0.903–0.923 %, respectively. These findings provide valuable insights into the design of oligomer-type donor materials with optimized electronic and photophysical properties, which could enhance the performance and efficiency of organic photovoltaic devices.

Free carrier generation efficiency in organic photovoltaic films determined using photo-MIS-CELIV

Solution processed organic photovoltaic (OPV) devices are promising for low-embedded energy and large-scale renewable energy production. The efficiency of charge carrier generation is a critical factor influencing the performance of photovoltaic devices. However, quantifying charge carrier generation can be challenging, with the results from experimental methods not always being easily correlated with solar cell performance. In this paper, we describe how photoinduced metal-insulating-semiconductor charge-extraction-by-linearly-increasing-voltage (photo-MIS-CELIV) can be used to determine the free charge carrier generation efficiency (FCGE) in OPV films. One of the benefits of this approach is that the FCGE can be measured alongside the charge mobility to provide a holistic picture of the fate of charges, from generation to extraction. We demonstrate this method through quantifying the FCGE of bulk heterojunctions of PCE10:ITIC-4F, D18:Y6 and PPDT2FBT:PC71BM, obtaining values of 47.4 ± 1.6 %, 75.0 ± 2.5 % and 70.6 ± 4.6 %, respectively. The measured FCGEs for these blends were consistent with the device-based external quantum efficiencies (EQEs) at the excitation wavelength used. The use of photo-MIS-CELIV for quantifying the FCGE increases its utility beyond simple charge mobility measurements and provides an extra method to enable optimisation of OPV device performance.

Efficient hole transport layers for silicon heterojunction solar cells by surface plasmonic modification in MoOx/Au NPs/MoOx stacks

This study explores the integration of Au nanoparticles (NPs) into molybdenum oxide (MoOx) thin films to form a MoOx/Au NPs/MoOx (MAM) stack. This stack serves as a hole transport layer (HTL) in silicon heterojunction solar cells, aiming to address the challenges of safety concerns and inefficient carrier transport. Ultraviolet photoelectron spectroscopy and X-ray photoelectron spectroscopy spectra demonstrate that the incorporation of Au NPs notably raises the work function of MAM to 5.85 eV and stabilize Mo6+ concentrations at 94.07%. In addition, Au NPs effectively act as a shield against detrimental interactions with Ag, thereby improving the interfacial stability between the back electrode and HTL. This strategic enhancement facilitates the formation of surface plasmon polaritons, reduces the contact resistance to 41.19 mΩ cm2, and boosts the quantum efficiency by injecting hot electrons and intensifying the surface electric field. These advancements lead to a significant enhancement in the fill factor and short-circuit current, leading to the development of a heterojunction solar cell with an increased efficiency (Eff) from 19.81% to 22.03%. This investigation underscores the transformative potential of engineered nanomaterials in elevating the performance and stability of photovoltaic devices, promoting the wider adoption of renewable energy technologies.

Synthesis, Crystal Structure, and Theoretical Screening of Solvatochromism and Light-Harvesting Performance of Hexamine V-Substituted Lindqvist-Based Photosensitizer for Photovoltaic Solar Cells.

In this paper, we employ density functional theory (DFT) and time-dependent DFT (TD-DFT) approaches to predict the solvatochromism and light-harvesting properties of a newly synthesized hybrid hexamine (HMTA) vanadium-substituted Lindqvist-type (V 2 W 4 ) polyoxometalate (POM), (C7H15N4O)2(C6H13N4)2[V2W4O19]·6H2O, (HMTA-V 2 W 4 ) for application in dye-sensitized solar cells (DSSCs). Single crystal X-ray diffraction (XRD) and noncovalent interaction (NCI) analyses show a 3D-supramolecular packing stabilized by means of hydrogen bonds and van der Waals (vdW) and ionic interactions between highly nucleophilic cage-like HMTA surfactant, lattice water, and electrophilic V 2 W 4 polyanions. Experimental and theoretical UV/vis absorption spectra show large absorption in the visible region, which is strongly solvent polarity dependent. This solvatochromic behavior can be attributed to hydrogen bonding interactions between the V 2 W 4 polyanion and protic solvents. Furthermore, the energy level of semiconductor-like nature of HMTA-V 2 W 4 with high LUMO level matches well with the conduction band (CB) of TiO2, which is beneficial for the photovoltaic device performance. The photovoltaic empirical parameters are theoretically predicted to demonstrate a remarkably high open-circuit voltage (Voc) value (1.805 eV) and a photoelectric conversion efficiency (PCE) value up to 8.7% (FF = 0.88) along with superior light-harvesting efficiency (LHE) (0.7921), and therefore, the studied compound is expected to be a potential candidate as a photosensitizer dye for applications in DSSCs. The aim of this work was to broaden the range of applications of POMs, owing to their low-cost fabrication, leveraging and flourishing optoelectronic properties, and ever-improving efficiency and stability for use in future technology pointed to the development of clean and green renewable energy sources to solve the current energy crisis.

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

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