Search Results (89)

The increasing impact of global warming is predominantly driven by the extensive use of fossil fuels, which release significant amounts of greenhouse gases into the atmosphere. This has led to a critical need for alternative, sustainable energy sources that can mitigate environmental impacts. Photovoltaic technology has emerged as a promising solution by harnessing renewable energy from the sun, providing a clean and inexhaustible power source. Perovskite solar cells (PSCs) are a class of hybrid organic–inorganic solar cells that have recently attracted significant scientific attention due to their low cost, relatively high efficiency, low–temperature processing routes, and longer carrier lifetimes. These characteristics make them a viable alternative to traditional fossil fuels, reducing the carbon footprint and contributing to the fight against global warming. In this study, the SCAPS–1D numerical simulator was used in the computational analysis of a PSC device with the configuration FTO/ETL/BaZr(S_0.6Se_0.4)₃/HTL/Ir. Different hole transport layer (HTL) and electron transport layer (ETL) material were proposed and tested. The HTL materials included copper (I) oxide (Cu₂O), 2,2′,7,7′–Tetrakis(N,N–di–p–methoxyphenylamine)9,9′–spirobifluorene (spiro–OMETAD), and poly(3–hexylthiophene) (P₃HT), while the ETLs included cadmium suphide (CdS), zinc oxide (ZnO), and [6,6]–phenyl–C₆₁–butyric acid methyl ester (PCBM). Finally, BaZr(S_0.6Se_0.4)₃ was proposed as an absorber, and a fluorine–doped tin oxide glass substrate (FTO) was proposed as an anode. The metal back contact used was iridium. Photovoltaic parameters such as short circuit density (I_sc), open circuit voltage (V_oc), fill factor (FF), and power conversion efficiency (PCE) were used to evaluate the performance of the device. The initial simulated primary device with the configuration FTO/CdS/BaZr(S_0.6Se_0.4)₃/spiro–OMETAD/Ir gave a PCE of 5.75%. Upon testing different HTL materials, the best HTL was found to be Cu₂O, and the PCE improved to 9.91%. Thereafter, different ETLs were also inserted and tested, and the best ETL was established to be ZnO, with a PCE of 10.10%. Ultimately an optimized device with a configuration of FTO/ZnO/BaZr(S_0.6Se_0.4)₃/Cu₂O/Ir was achieved. The other photovoltaic parameters for the optimized device were as follows: FF = 31.93%, J_sc = 14.51 mA cm⁻², and V_oc = 2.18 V. The results of this study will promote the use of environmentally benign BaZr(S_0.6Se_0.4)₃–based absorber materials in PSCs for improved performance and commercialization. Full article

Minimizing surface defects in perovskite films is crucial for suppressing non-radiative recombination and enhancing device performance. Herein, we propose the use of N-bromosuccinimide (NBS), a small molecule containing Lewis base carbonyl groups (C=O), to improve the quality of RbCsMAFA mixed-cation perovskite films. This surface treatment effectively reduces non-radiative charge-carrier recombination, in particular through the passivation of surface defects related to undercoordinated Pb²⁺ ions and halide vacancies, and significantly accelerates charge extraction from the perovskite into the Spiro-OMeTAD hole transporter. Consequently, NBS-treated PerSCs achieve a power conversion efficiency (PCE) of 18.24%, representing an 11% relative increase over the control device (16.48%). This enhancement is mainly attributed to a V_oc gain of up to 40 mV and modifications in the recombination dynamics. Supporting evidence from impedance spectroscopic analyses further confirms enhanced energy-level alignment and reduced interfacial losses, improved charge transport as well as prolonged charge lifetimes within the devices. This work provides a simple yet effective approach to reduce the non-radiative recombination losses towards more efficient and stable PerSCs. Full article

Perovskite solar cells (PSCs) leverage the exceptional photoelectric properties of perovskite materials, yet interfacial energy level mismatches limit carrier extraction efficiency. In this work, energy level alignment was exploited to reduce the charge transport barrier, which can be conducive to the transmission of photo-generated carriers and reduce the probability of electron–hole recombination. We designed a dual-transition perovskite solar cell (PSC) with the structure of FTO/TiO₂/Nb₂O₅/CH₃NH₃PbI₃/MoO₃/Spiro-OMeTAD/Au by finite element analysis methods. Compared with the pristine device (FTO/TiO₂/CH₃NH₃PbI₃/Spiro-OMeTAD/Au), the open-circuit voltage of the optimized cell increases from 0.98 V to 1.06 V. Furthermore, the design of a circular platform light-trapping structure makes up for the light loss caused by the transition at the interface. The short-circuit current density of the optimized device increases from 19.81 mA/cm² to 20.36 mA/cm², and the champion device’s power conversion efficiency (PCE) reaches 17.83%, which is an 18.47% improvement over the planar device. This model provides new insight for the optimization of perovskite devices. Full article

In this study, a UVC photodetector (PD) was fabricated by incorporating CsI into a conventional double-cation perovskite (FAMAPbI₃) to enhance its stability. The device utilized a methylammonium iodide post-treatment solution to fabricate CsFAMAPbI₃ perovskite thin films, which functioned as the primary light-absorbing layer in an NIP structure composed of n-type SnO₂ and p-type spiro-OMeTAD. Perovskite films were fabricated and analyzed as a function of the Cs concentration to optimize the Cs content. The results demonstrated that Cs doping improved the crystallinity and phase stability of the films, leading to their enhanced electron mobility and photodetection performance. The UVC PD with an optimum Cs concentration exhibited a responsivity of 58.2 mA/W and a detectivity of 3.52 × 10¹⁴ Jones, representing an approximately 7% improvement over conventional structures. Full article

Perovskite solar cells (PSCs) have already been reported as a promising alternative to traditional energy sources due to their excellent power conversion efficiency, affordability, and versatility, which is particularly relevant considering the growing worldwide demand for energy and increasing scarcity of natural resources. However, operational concerns under environmental stresses hinder its economic feasibility. Through the addition of cesium (Cs), this study investigates how to optimize perovskite solar cells (PSCs) based on methylammonium lead-iodide (MAPbI₃) by creating mixed-cation compositions of MA_1−xCs_xPbI₃ (x = 0, 0.25, 0.5, 0.75, 1) for devices A to E, respectively. The impact of cesium content on the following factors, such as open-circuit voltage (V_oc), short-circuit current density (J_sc), fill factor (FF), and power conversion efficiency (PCE), was investigated using simulation software, with ITO/TiO₂/MA_1−xCs_xPbI₃/Spiro-OMeTAD/Au as a device architecture. Due to diminished defect density, the device with x = 0.5 (MA_0.5Cs_0.5PbI₃) attains a maximum power conversion efficiency of 18.53%, with a V_oc of 0.9238 V, J_sc of 24.22 mA/cm², and a fill factor of 82.81%. The optimal doping density of TiO₂ is approximately 10²⁰ cm⁻³, while the optimal thicknesses of the electron transport layer (TiO₂, 10–30 nm), the hole-transport layer (Spiro-OMeTAD, about 10–20 nm), and the perovskite absorber (750 nm) were identified to maximize efficiency. The inclusion of a small amount of Cs may improve photovoltaic responses; however, at elevated concentrations (x > 0.5), power conversion efficiency (PCE) diminished due to the presence of trap states. The results show that mixed-cation perovskite solar cells can be a great commercially viable option because they strike a good balance between efficiency and performance. Full article

Flexible perovskite solar cells (FPSCs) hold great promise for lightweight and wearable photovoltaics, but improving their efficiency and durability under mechanical stress remains a key challenge. In this work, we fabricate and characterize flexible planar FPSCs on a polyethylene terephthalate (PET). A phenethylammonium iodide (PEAI) surface passivation layer is introduced on the perovskite to form a two-dimensional capping layer, and its impact on device performance and stability is systematically studied. The champion PEAI-passivated flexible device achieves a power conversion efficiency (PCE) of ~16–17%, compared to ~14% for the control device without PEAI. The improvement is primarily due to an increased open-circuit voltage and fill factor, reflecting effective surface defect passivation and improved charge carrier dynamics. Importantly, mechanical bending tests demonstrate robust flexibility: the PEAI-passivated cells retain ~85–90% of their initial efficiency after 700 bending cycles (radius ~5 mm), significantly higher than the ~70% retention of unpassivated cells. This work showcases that integrating a PEAI surface treatment with optimized electron (SnO₂) and hole (spiro-OMeTAD) transport layers (ETL and HTL) can simultaneously enhance the efficiency and mechanical durability of FPSCs. These findings pave the way for more reliable and high-performance flexible solar cells for wearable and portable energy applications. Full article

Barium stannate (BaSnO₃) has emerged as a promising alternative electron transport material owing to its superior electron mobility, resistance to UV degradation, and energy bandgap tunability, yet BaSnO₃-based perovskite solar cells have not reached the efficiency levels of TiO₂-based designs. This theoretical study presents a design-driven evaluation of BaSnO₃-based perovskite solar cell architectures, incorporating MAPbI₃ or FAMAPbI₃ perovskite materials, Spiro-OMeTAD, or Cu₂O hole transport materials as well as hole-free configurations, under varying light intensity. Using a systematic device modelling approach, we explore the influence of key design variables—such as layer thickness, donor density, and interface defect concentration—of BaSnO₃ and operating temperature on the power conversion efficiency (PCE). Among the proposed designs, the FTO/BaSnO₃/FAMAPbI₃/Cu₂O/Au heterostructure exhibits an exceptionally effective arrangement with PCE of 38.2% under concentrated light (10,000 W/m², or 10 Sun). The structure also demonstrates strong thermal robustness up to 400 K, with a low temperature coefficient of −0.078% K⁻¹. These results underscore the importance of material and structural optimisation in PSC design and highlight the role of high-mobility, thermally stable inorganic transport layers—BaSnO₃ as the electron transport material (ETM) and Cu₂O as the hole transport material (HTM)—in enabling efficient and stable photovoltaic performance under high irradiance. The study contributes valuable insights into the rational design of high-performance PSCs for emerging solar technologies. Full article

Single-junction perovskite solar cells (PSCs) have been one of the most promising photovoltaic technologies owing to their high-power conversion efficiencies (PCEs) of ~27% and the low-cost fabrication processes involved, which pay off significantly given their distinct structural characteristics. Recently, inorganic hole-transport materials (HTMs) such as nickel oxide (NiO_x) have been developed and received considerable attention for use in OPVs due to their excellent thermal stability, low-cost materials, and compatibility with scalable deposition methods. Here, we summarize the recent progress on inorganic HTMs for PSCs, which can be divided into three categories: NiO_x, copper-based compounds, and emerging new alternatives. The deposition method (sputtering, atomic layer deposition, or a solution-based technique) is one of the most important factors affecting the performance and stability of PSCs. Finally, we review interfacial engineering strategies, such as surface modifications and doping, which can enhance charge transport and extend a device’s lifetime. We also balance the benefits of inorganic HTMs against the key challenges in advancing to commercialization, namely interior defects and environmental degradation. In this review, we summarize the recent progress and challenges toward developing cost-efficient and stable PSCs with inorganic HTMs and provide insights into the future development of these materials. Full article

Among hole transport materials (HTMs), 2,2′,7,7′-Tetrakis(N,N-di-p-methoxyphenylamino)-9,9′-spirobifluorene (spiro-OMeTAD) is the most frequently adopted, due to its suitable energy band level in conventional-type perovskite solar cells (PSCs). However, the high price of spiro-OMeTAD is an obstacle faced in its research and commercialization. In our previous work, we introduced a low-cost HTM, (E,E,E,E)-4,4′,4″,4‴-[Benzene-1,2,4,5-tetrayltetrakis(ethene-2,1-diyl)]tetrakis[N,N-bis(4-methoxyphenyl)aniline] (α2); however, it was immiscible in the conventional solvent chlorobenzene, leading to the adoption of dichloromethane (DCM) as an alternative. Nevertheless, its high vapor pressure led to poor reproducibility, limiting its practical applicability. To address this issue, we investigated alternative solvents to DCM to facilitate the application of α2 to dichloride alkane materials, from 1,2-dichloroethane (DCE) to 1,4-dichlorobutane. In these materials, DCE exhibits the most superior properties in terms of layer formation control, due to its vapor pressure in spin-coating. Accordingly, a PSC containing α2-DCE HTL showed high performance, with 1.15V of open-circuit voltage and a 22.7% power conversion efficiency. Full article

Mixed-halide perovskites enable the creation of high-performance and low-cost solar cells. Chloride incorporation enhances film morphology, carrier diffusion length, and stability, improving device performance. Nevertheless, optimizing film thickness, defect density, and metal contact work function remains insufficiently explored, despite its potential to enhance power conversion efficiency. In this study, a numerical simulation was performed using SCAPS-1D (version 3.3.10) to identify the optimal parameters for the FTO/TiO₂/CH₃NH₃Pb_3−xCl_x/Spiro-OMeTAD/Au configuration. The best performance parameters that have been published in the literature based on experimental results are as follows: V_OC = 1.077 V, J_SC = 21.45 mA/cm², FF = 77.57%, and PCE = 17.97%. In contrast, the performance parameters obtained from numerical simulations for the same structure are V_OC = 1.28 V, J_SC = 21.63 mA/cm², FF = 78%, and PCE = 21.53%. In our numerical analysis, we achieved efficiencies that were comparable to those reported in experimental studies, and after optimization, superior performance parameters were attained, including V_OC = 1.179 V, J_SC = 27.26 mA/cm², FF = 81.03%, and PCE = 26.07%. These results indicate that optimized parameters can be integrated into the design and fabrication of mixed-halide perovskite solar cells to enhance performance. Full article

Azulene has been attracting much attention as a charge transfer material in organic electronics due to its inherent large dipole moment and small band gap, but its application in perovskite solar cells (PSCs) is very limited. Herein, azulene was applied as the core acceptor for hole transport materials (HTMs), and two molecules named Azu-Py-DF and Azu-Py-OMeTPA were designed and synthesized, in which 4-pyridyl was introduced on the 6-position of the 1,3-substituted azulene core to adjust energy levels. The different spatial orientations of pyridine and the azulene core improve the solubility and reduce the crystallinity of the material, which is conducive to creating a thin film morphology. Azu-Py-OMeTPA exhibited good hole and electron mobility compared with standard Spiro-OMeTAD. Applied as an HTM in PSCs, the Azu-Py-OMeTPA-based device achieved a power conversion efficiency (PCE) of 18.10%, which is higher than that of the 6-position unsubstituted counterpart. Nevertheless, the anticipated passivation effect of the 4-pyridyl group was diminished due to the electron-deficient nature of azulene’s seven-membered ring. These results demonstrate that optimizing the structure of azulene-based HTMs can significantly alter molecular spatial structure, film formation properties, electron delocalization characteristics and charge transport, and can lead to improved device performance, providing insights for the future design of novel HTMs. Full article

At present, lead halide PVSKSCs are promising photovoltaic cells but have some limitations, including their low stability in ambient conditions and the toxicity of lead. Thus, it will be of great significance to explore lead-free perovskite materials as an alternative absorber layer. In recent years, the numerical simulation of perovskite solar cells (PVSKSCs) via the solar cell capacitance simulation (SCAPS) method has attracted the attention of the scientific community. In this work, we adopted SCAPS for the theoretical study of lead (Pb)-free PVSKSCs. A cesium bismuth iodide (CsBi₃I₁₀; CBI) perovskite-like material was used as an absorber layer. The thickness of the CBI layer was optimized. In addition, different electron transport layers (ETLs), such as titanium dioxide (TiO₂), tin oxide (SnO₂), zinc oxide (ZnO), and zinc selenide (ZnSe), and different hole transport layers, such as spiro-OMeTAD (2,2,7,7-tetrakis(N,N-di(4-methoxyphenylamine)-9,9′-spirobifluorene), poly(3-hexylthiophene-2,5-diyl) (P₃HT), poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine (PTAA), and copper oxide (Cu₂O), were explored for the simulation of CBI-based PVSKSCs. A device structure of FTO/ETL/CBI/HTL/Au was adopted for simulation studies. The simulation studies showed the improved photovoltaic performance of CBI-based PVSKSCs using spiro-OMeTAD and TiO₂ as the HTL and ETL, respectively. An acceptable PCE of 11.98% with a photocurrent density (J_sc) of 17.360258 mA/cm², a fill factor (FF) of 67.10%, and an open-circuit voltage (V_oc) of 1.0282 V were achieved under the optimized conditions. It is expected that the present study will be beneficial for researchers working towards the development of CBI-based PVSKSCs. Full article

Perovskite solar cells are part of the third generation of solar cells, a technology that holds the potential to reduce the use of fossil fuels in energy production. Some factors, such as stability and toxicity, jeopardize the scaling process towards commercialization and access to worldwide markets. This work comprises a review over the last decade on PSC advances and progress in the most highly cited databases. A marked trend was found in replacing Pb for Sn from the absorbing perovskite materials, as well as finding the transport layers that will help in the stability and the efficiency of the solar cell. WO₃ is presented as a viable element for the formation of the electron transport layer. Spiro-OMeTAD is the most used compound for the hole transport layer, but other viable substitutes were also found. Lastly, the Cs₂SnI₆ double perovskite was identified as one of the most stable perovskites that emerged in these 10 years. The efficiency and stability of Sn-based solar cells is still very low when compared to their Pb-based counterparts, driving the current research in material science to enhance their performance. Full article

Antimony selenide (Sb₂Se₃) shows promise for photovoltaics due to its favorable properties and low toxicity. However, current Sb₂Se₃ solar cells exhibit efficiencies significantly below their theoretical limits, primarily due to interface recombination and non-optimal device architectures. This study presents a comprehensive numerical investigation of Sb₂Se₃ thin-film solar cells using SCAPS-1D simulation software, focusing on device architecture optimization and interface engineering. We systematically analyzed device configurations (substrate and superstrate), hole-transport layer (HTL) materials (including NiOx, CZTS, Cu₂O, CuO, CuI, CuSCN, CZ-TA, and Spiro-OMeTAD), layer thicknesses, carrier densities, and resistance effects. The substrate configuration with molybdenum back contact demonstrated superior performance compared with the superstrate design, primarily due to favorable energy band alignment at the Mo/Sb₂Se₃ interface. Among the investigated HTL materials, Cu₂O exhibited optimal performance with minimal valence-band offset, achieving maximum efficiency at 0.06 μm thickness. Device optimization revealed critical parameters: series resistance should be minimized to 0–5 Ω-cm² while maintaining shunt resistance above 2000 Ω-cm². The optimized Mo/Cu₂O(0.06 μm)/Sb₂Se₃/CdS/i-ZnO/ITO/Al structure achieved a remarkable power conversion efficiency (PCE) of 21.68%, representing a significant improvement from 14.23% in conventional cells without HTL. This study provides crucial insights for the practical development of high-efficiency Sb₂Se₃ solar cells, demonstrating the significant impact of device architecture optimization and interface engineering on overall performance. Full article

Efficient and stable hole-transport material (HTM) is essential for enhancing the efficiency and stability of high-efficiency perovskite solar cells (PSCs). The commonly used HTMs such as spiro-OMeTAD need dopants to produce high efficiency, but those dopants degrade the perovskite film and cause instability. Therefore, the development of dopant-free N,N′-bicarbazole-based HTM is receiving huge attention for preparing stable, cost-effective, and efficient PSCs. Herein, we designed and proposed seven distinct small-molecule-based HTMs (B1–B7), which are synthesized and do not require dopants to fabricate efficient PSCs. To design this new series, we performed synergistic side-chain engineering on the synthetic reference molecule (B) by replacing two methylthio (–SCH3) terminal groups with a thiophene bridge and electron-withdrawing acceptor. The enhanced phase inversion geometry of the proposed molecules resulted in reduced energy gaps and better electrical, optical, and optoelectronic properties. Density functional theory (DFT) and time-dependent DFT simulations have been used to study the precise photo-physical and optoelectronic properties. We also looked into the effects of holes and electrons and the materials’ structural and photovoltaic properties, including light harvesting energy, frontier molecular orbital, transition density matrix, density of states, electron density matrix, and natural population analysis. Electron density difference maps identify the interfacial charge transfer from the donor to the acceptor through the bridge, and natural population analysis measures the amount of charge on each portion of the donor, bridge, and acceptor, which most effectively represents the role of the end-capped moieties in facilitating charge transfer. Among these designed molecules, the B6 molecule has the greatest absorbance (λ_max of 444.93 nm in dichloromethane solvent) and a substantially shorter optical band gap of 3.93 eV. Furthermore, the charge transfer analysis reveals superior charge transfer with improved intrinsic characteristics. Furthermore, according to the photovoltaic analysis, the designed (B1–B7) HTMs have the potential to provide better fill factor and open-circuit voltages, which will ultimately increase the power conversion efficiency (PCE) of PSCs. Therefore, we recommend these molecules for the next-generation PSCs. Full article