Application In Perovskite Solar Cells Research Articles

Template-Assisted Growth of High-Quality α-Phase FAPbI3 Crystals in Perovskite Solar Cells Using Thiol-Functionalized MoS2 Nanosheets.

Formamidinium lead iodide (FAPI) has gained attention for hybrid perovskite solar cell (PSC) applications due to its enhanced stability and narrow bandgap. However, a significant challenge remains in inducing and stabilizing the elusive perovskite "black phase"─photoactive cubic α-FAPI─as the relatively bulky FA+ cations tend to favor the thermodynamically stable nonphotoactive "yellow phase". In this study, we present a templated growth strategy employing thiol-functionalized MoS2 nanosheets as templates. By introduction of 3-mercaptopropionic acid (MPA)-functionalized MoS2 as a growth template, precise control over crystal formation was achieved, favoring the growth of high-quality α-FAPI films. These advanced templated films exhibited substantial improvements in charge transport properties, efficient light absorption, and enhanced charge extraction. As a result, the PSCs achieved a significantly enhanced power conversion efficiency (PCE) compared to the nontemplated control device, increasing from 20.6 to 22.5%. The MoS2-incorporated device also demonstrated excellent shelf stability, maintaining 91% of the initial PCE even after 1600 h of storage without device encapsulation.

Internal Capsulation Via Self-Cross-linking and π-Effects Achieves Highly Stable Perovskite Solar Cells.

Pursuing high stability becomes the core challenge in realizing the widespread application of perovskite solar cells (PerSCs). Here, a practical internal-capsulation strategy is proposed by introducing cross-linkable methacrylate analogs upon the perovskite layer, hindering ion migration and preventing lead leakage to achieve stable PerSCs. Butyl methacrylate (UMA) and benzyl methacrylate (BMA) can chemically interact with the perovskite layer, especially for the BMA dimer with significant π-interactions among the hanging benzene rings. Such configuration facilitated more compact coordination, thereby restoring the Fermi level of perovskite to a defect-free state and reducing carrier recombination losses. Moreover, by integrating the self-cross-linking and intermolecular π-effect, the application of BMA upgraded the internal capsulation from linear protection to a compact mesh-like scale. Consequently, the application of BMA not only boosted the efficiency to 25.31% but also greatly enhanced the stability of the perovskite layer, especially for water resistance and preventing lead linkage. The internal capsulation strategy upgrading from linear to mesh-like marked an innovative direction in protecting the perovskite layer, paving the way for more sustainable PerSCs in further application.

Thermal and photochemical degradation of CsGeI3 and CsGeBr3: XPS and optical studies

The toxicity of complex lead halides significantly limits the commercialization and practical application of perovskite solar cells. In recent days, lead-free complex lead halides with a perovskite structure have become increasingly popular, among which germanium systems are the least studied. Here we present for the first time a systematic study of the thermal and photochemical stability of perovskite thin films of CsGeI3 and CsGeBr3. The measurements of optical absorbance and X-ray photoelectron spectra (XPS) of core levels and valence bands of Ge-based halide perovskites after light soaking and heat stress were thoroughly performed. It has been found the effect of thermal and photochemical degradation of Ge perovskites which is accompanied by reduction of I:Ge and Br:Ge ratios and appearance of tetravalent metal species fixed in XPS Ge 2p and Ge 3d spectra. The XPS O 1s measurements of irradiated and annealed Ge-based perovskites and their comparison with spectra of GeO2 have shown that formation of Ge4+-species is not due to metal oxidation but owing to defect-mediated hole-doping. While the Ge2+→Ge4+ process lowers the thermal and photochemical stability of Ge-based perovskites and limits their use in photovoltaics, the temperature induced hole doping is favorable for thermoelectric applications.

Surface Property Regulation of a Magnetron-Sputtered NiOx Hole Transport Layer for High-Performance Inverted Perovskite Solar Cells.

The inverted perovskite solar cells (PSCs) are gaining increasing attention recently for their unprecedented advantages, such as better integration with tandem and flexible designs, negligible hysteresis, good operational stability, and compatibility with commercially scalable fabrication approaches. Nickel oxide (NiOx) films prepared by magnetron sputtering technology exhibit excellent scalability and reproducibility, which could well meet the requirements of the large-scale production of inverted PSCs. However, NiOx prepared by vacuum methods generally has fewer surface hydroxyl groups, deteriorating the wettability and damaging the interface contact with the perovskite. Particularly, the Ni3+ defects on the NiOx surface could lead to unfavorable redox reactions with organic cations in the perovskite under high temperatures, promoting the rapid degradation of the perovskite. Thus, surface regulation of sputtered NiOx is imperative for high-performance PSCs. Herein, 4-(trifluoromethyl) phenylcarbamate hydrochloride (TFFA) was used to regulate the surface properties of sputtered NiOx. The strongly electronegative F ions in TFFA passivated the Ni3+ defects on the NiOx surface, suppressed unfavorable interface reactions, and improved charge recombination. The polar ammonium functional group was used to adjust the surface energy of NiOx, thereby improving the wettability and optimizing the crystallization kinetics of the perovskite. As a result, the power conversion efficiency (PCE) of PSCs reached 22.76%, which was among the highest PCEs reported for sputtered NiOx-based inverted PSCs to date. Moreover, the unencapsulated target devices exhibited better stability, maintaining over 85% of the initial PCE after aging for approximately 1200 h in a N2 environment. Our achievements pointed out a practical strategy for enhancing the performance of sputtered NiOx-based inverted PSCs, which could potentially accelerate the development and application of large-area PSCs.

Exploring the efficiency enhancement of perovskite solar cells by chemical bath depositing SnO2 on mesoporous TiO2 electrode

This study presents a groundbreaking approach to enhance the efficiency of perovskite solar cells (PSCs) by employing Chemical Bath Deposited (CBD) SnO2 on mesoporous TiO2 (m-TiO2) as an electron transport layer (ETL) without a traditional compact TiO2 (c-TiO2) layer between FTO (fluorine-doped tin oxide) and m-TiO2 ETL. Our investigation reveals that this method significantly improves carrier dynamics, as evidenced by reduced time constants compared to traditional ETLs. The CBD SnO2 not only augments electron transport but also effectively reduces defect density in m-TiO2 films. These enhancements are reflected in the improved photovoltaic parameters of the cells, including higher open-circuit voltage (VOC), short-circuit current (JSC), fill factor (FF), and an impressive power conversion efficiency (PCE) exceeding 23.62 %. The study further underscores the scalability of this technology, highlighting advancements in screen printing and chemical bath deposition techniques vital for large-area PSC applications. Remarkably, the uniformity of PCE across large-area cells confirms the efficacy and consistency of this approach, which provides a new and general strategy for preparing high-efficiency PSCs.

Numerical investigation and design optimization for enhanced efficiency of Cs2AgBiBr6 perovskite solar cell

Nowadays, environmental concerns are becoming increasingly important. As a result of the imperative to protect society, lead-free perovskites are becoming increasingly important. The lead-free compound cesium silver bismuth bromide (Cs2AgBiBr6) was numerically investigated as a potential candidate for double perovskite solar cells application. In the proposed architecture, we combine FTO/ETL-SnO2/Cs2AgBiBr6/HTL-CuI/Au, all optimized for performance. To optimize the solar cell’s performance, the device configuration was modelled using SCAPS-1D. An evaluation of the impact of various factors, including absorber thickness, defect density, electron affinity, electron and hole transport layer optimization, band diagram analysis, working temperature and quantum efficiency, was conducted. The proposed device configuration exhibited excellent photovoltaic performance, achieving a PCE of 8.15%, a Voc of 1.041 V, a Jsc of 11.79 mA cm−2, an FF of 66.41%, and a quantum efficiency of 99.19% within the visible range. This research highlights the potential of Cs2AgBiBr6 as a promising perovskite material for use in lead-free photovoltaic technology.

Biomass Derived Self-Doped Carbon Nanosheets Enable Robust Hole Transport Layers with Ion Buffer for Perovskite Solar Cells.

The diffusion of iodine species and lead leakage during device degradation represent the main obstacles restricting the commercial application of perovskite solar cells (PSCs). Cobalt loaded ultrathin carbon nanosheets (Co(III)-CNS) derived from biomass are prepared as ion buffer material to construct robust hole transport layers (HTLs). The carbon nanosheets containing trivalent cobalt ions can facilitate the oxidation of the hole transport material while preserving the structural integrity and electrical properties of HTLs under thermal stress, thereby ensuring efficient carrier transport. The two-dimensional ultrathin graphitized lamellar structure of Co(III)-CNS is conducive to alleviate the corrosive effects of the outward diffusion of iodine species on HTLs and silver electrodes, while avoiding irreversible degradation of PSCs. With the improvement of HTL composition and the related interfaces, Co(III)-CNS doped devices can maintain intact device structure under thermal stress and remain above 80% of the original power conversion efficiency (PCE) after thermal aging at 85 oC for 720 h. Notably, the chemical interactions between heteroatoms of self-doped carbon nanosheets and the mobile lead ions can effectively alleviate lead leakage and avoid the potential impacts of device degradation on ecosystem. Ultimately, the Co(III)-CNS doped PSCs with enhanced thermal stability exhibit a champion PCE of 22.32%.

Exploring the effects of the alkaline earth metal cations on the electronic structure, photostability and radiation hardness of lead halide perovskites

The growing interest to the application of perovskite solar cells (PSC) in aerospace requires great attention to the design of new absorber materials with enhanced photostability and radiation hardness. We addressed this challenge through the B-site engineering by partial replacing of Pb2+ in the complex halides with Ca2+, Sr2+, and Ba2+. Change in the material electronic properties suggests the incorporation of the substituent cations in the perovskite lattice. However, when the loading of alkaline earth halides is high, they tend to segregate to the film surface and grain boundaries. The modification of MAPbI3 and Cs0.12FA0.88PbI3 by replacing a 1% of Pb2+ with alkaline earth metal cations resulted in improvements in the photostability and radiation hardness under exposure to gamma rays and electrons beam. Depending on the material formulation, it was possible to mitigate the photochemical and radiation-induced Pb0 formation and the univalent cation phase segregation. The best of the designed perovskite absorbers could successfully tolerate high doses of gamma rays (5.5 MGy) and electron fluences (3 × 1016 e/cm2), thus outperforming significantly the non-modified material. These findings feature the incorporation of alkaline earth metal cations as a promising approach for the development of PSC with enhanced radiation hardness for aerospace applications.

Polymers for Perovskite Solar Cells.

Perovskite solar cells (PSCs) are recognized as one of the most promising next-generation photovoltaics, primarily due to their exceptional power conversion efficiency, ease of processing, and cost-effectiveness. Despite these advantages, challenges remain in achieving high-quality films and ensuring the long-term stability of PSCs, which hinder their widespread commercialization. Polymers, characterized by multifunctional groups, superior thermal stability, flexible long chains, and cross-linking capabilities, offer significant potential to enhance the performance and reliability of PSCs. This review comprehensively presents the multifaceted roles that polymers play in PSCs. Through carefully controlling interactions between polymers and perovskites, crucial aspects such as film crystallization kinetics, carrier transport process, ion migration issues, and mechanical properties under bending can be effectively regulated to maximize the device performance. Furthermore, the hydrophobic properties and strong chelated cross-linking networks of polymers significantly enhance the stability of PSCs under various environmental conditions while effectively mitigating lead leakage, thereby addressing environmental concerns and long-term durability. Moreover, this Perspective identifies potential pathways for further advancing polymer-based strategies in PSC applications.

SILAR deposition and characterization of ZnO films for numerical investigation as electron transport layer in solar cells

The SILAR method of thin film deposition has attracted the scientific community over the years due to its easiness, low cost, availability of room temperature deposition, and more over due to the variation in properties of thin films available by varying deposition parameters.This work is carried out in a way to comprehensively compare two ZnO thin film samples prepared from precursor media with Zinc Acetate (S1) and Zinc Chloride(S2) salts deposited by SILAR method in Perovskite Solar cell applications. The XRD, FTIR, Raman, FESEM, and UV-Visible analysis were carried out for identifying the structural, morphological, and optical quality of these samples. The role of these samples as Electron Transport Layer (ETL) in Perovskite Solar cell were identified using General purpose PhotoVoltaic Device model (GPVDM) simulation software which is well adapted for studying Solar cell architecture. It provided the output Solar cell parameters like Jsc, Voc, FF, PCE, etc and by varying the active layer and Hole Transport Layer (HTL) thicknesses, the optimized efficiency of devices with samples S1 and S2 were obtained as 21.88% and 21.96%.The results showed that SILAR-synthesized ZnO thin films could be potential candidates for ETL applications in Perovskite Solar cells.

Molecular Design of Hole Transport Materials to Immobilize Ion Motion for Photostable Perovskite Solar Cells.

Poor operational stability is a crucial factor limiting the further application of perovskite solar cells (PSCs). Organic semiconductor layers can be a powerful means for reinforcing interfaces and inhibiting ion migration. Herein, two hole-transporting molecules, pDPA-SFX and mDPA-SFX, are synthesized with tuned substituent connection sites. The meta-substituted mDPA-SFX results in a larger dipole moment, more ordered packing, and better charge mobility than pDPA-SFX, accompanying with strong interface bonding on perovskite surfaces and suppressed ion motion as well. Importantly, mDPA-SFX-based PSCs exhibit an efficiency that has significantly increased from 22.5 % to 24.8 % and a module-based efficiency of 19.26 % with an active area of 12.95 cm2. The corresponding cell retain 94.8 % of its initial efficiency at maximum power point tracking (MPPT) after 1,000 h (T95=1,000 h). The MPPT T80 lifetime is as long as 2,238 h. This work illustrates that a small degree of structural variation in organic compounds leaves considerable room for developing new HTMs for light stable PSCs.

Advancements and Challenges in Wide‐Bandgap Perovskite Solar Cells: From Single Junction to Tandem Solar Cells

The exceptional optoelectronic performance and cost‐effectiveness of manufacturing have propelled organic–inorganic hybrid perovskite solar cells (PSCs) into the spotlight within the photovoltaic community. Currently, the single‐junction PSCs have achieved a certified power conversion efficiency surpassing 26%, edging closer to the illustrious Shockley–Queisser theoretical limit. To further enhance device performance, researchers are currently directing their attention toward the integration of wide‐bandgap (WBG) perovskites (Eg > 1.60 eV) as top subcells in conjunction with narrow‐bandgap materials, such as perovskite, crystalline silicon, and copper indium gallium selenium, to construct multijunction tandem devices that maximize solar spectral utilization and minimize thermal losses. However, WBG perovskites encounter challenges associated with suboptimal crystal quality, high defect density, and severe phase separation, leading to significant voltage losses and inferior performance. In this regard, extensive research has been conducted, yielding significant findings. This review article summarizes the advancements in composition engineering, additive engineering, and interface engineering of WBG PSCs. Furthermore, the applications of WBG PSCs in various tandem solar cells and their development are discussed. Finally, future prospects for the development of WBG PSCs are outlined.

Regulation of Intermolecular and Interfacial Interactions by Functionalization of Substituent Groups in Hole Transport Materials for Perovskite Solar Cells: A Density Functional Theory and Experimental Study

Developing potential hole transport materials (HTMs) is an effective approach to reduce carrier nonradiative recombination and improve the efficiency of perovskite solar cells (PSCs). To investigate the intermolecular and interfacial interactions of HTMs in PSC devices, two molecules (RQ7 and RQ8) with substituent group functionalization are designed by isomerizing ‐F and ‐SMe in the para‐ and ortho‐positions on the side chain of carbazole diphenylamine‐based HTMs. Theoretical simulations indicate that the functionalization of substituent groups in HTMs alters their dipole moments and electronic structures, as well as their intermolecular interactions, hole transport capabilities, and interfacial interactions at the HTMs/perovskite interface. Experimental results show that RQ8 exhibited higher hole mobility, better film‐forming ability, and reduced electron‐hole recombination, resulting in RQ8‐based PSC devices achieving a higher power conversion efficiency than those based on RQ7. Herein, it is demonstrated that isomerous functionalization of substituent groups in carbazole diphenylamine‐based HTMs is a feasible strategy for controlling and regulating the intermolecular and interfacial interactions of HTMs in PSC applications.

Recent Research Progress and Perspectives on Porphyrin and Phthalocyanine Analogues for Perovskite Solar Cell Applications

Recent Research Progress and Perspectives on Porphyrin and Phthalocyanine Analogues for Perovskite Solar Cell Applications

Influence of the Electron Transport Layer on the Performance of Perovskite Solar Cells under Low Illuminance Conditions.

Owing to the tunable band gap of metal-halide perovskite compounds, perovskite solar cells (PSCs) are promising energy-harvesting devices for indoor applications. Since the electron transport layer (ETL) plays a critical role in the performance of PSCs, selecting a suitable ETL is important for improving the performance of PSCs. Here, we compared the characteristics of PSCs employing TiO2 and SnO2, which are widely used as ETLs in PSCs, under low illuminance conditions. Electrochemical impedance spectroscopy revealed that PSCs employing SnO2 as the ETL exhibited lower charge transfer resistance than those employing TiO2 in low light intensity environments. Consequently, SnO2-based PSCs showed a higher power conversion efficiency of 27.7% than that of TiO2-based PSCs (22.5%) under 1000 lx white LED illumination. Space-charge-limited current measurements have shown that the defect density of ETLs strongly affects the performance of PSCs, especially under low illuminance conditions. We believe that this report provides an effective strategy for selecting appropriate ETLs for indoor applications of PSCs.

Photoexcited charge-carrier transport in monolayer and bulk bismuth oxyiodide: the impact of the polaronic effect and deep-level defects

Bismuth oxyiodide (BiOI), in monolayer and bulk forms, is a lead-free semiconductor material that has sparked increased interest for applications in perovskite solar cells and x-ray detectors. It is vital to clarify the transport nature of photoexcited charge-carriers to improve device performance. However, the transport scattering mechanisms remain poorly understood, and a detailed explanation of the measured charge-carrier mobilities in this material system is still under scrutiny. Herein, we implement transport scattering models that include LO phonon scattering based on the polaronic effect and ionized impurity scattering due to deep-level defects to elucidate photoexcited charge mobilities. We found that large polarons produced by photoexcited charge carriers coupled with LO phonon modes of 86 cm−1 and 156 cm−1 play a key role in the transport process of the BiOI system. Large polaron mobility provides a good explanation for the measured mobilities in single crystal samples between 26–83 cm2V−1s−1 at 295 K. The estimated results from both transport scattering models agree with the temperature-dependent mobilities measured in thin-film samples, between 13 cm2V−1s−1 at 5 K and 3 cm2V−1s−1 at 295 K. This work provides important insights into a band-like transport feature in the BiOI system.

Gas Molecule Assisted All-Inorganic Dual-Interface Passivation Strategy for High-Performance Perovskite Solar Cells.

The trap states at both the upper and bottom interfaces of perovskite layers significantly impact non-radiative carrier recombination. The widely used solvent-based passivation methods result in the disordered distribution of surface components, posing challenges for the commercial application of large-area perovskite solar cells (PSCs). To address this issue, a novel NH3 gas-assisted all-inorganic dual-interfaces passivation strategy is proposed. Through the gas treatment of the perovskite surface, NH3 molecules significantly enhanced the iodine vacancy formation energy (1.54eV) and bonded with uncoordinated Pb2+ to achieve non-destructive passivation. Meanwhile, the reduction of the film defect states is accompanied by a decrease in the work function, which promotes carrier transport between the interface. Further, a stable passivation layer is constructed to manage the bottom interfacial defects using inorganic potassium tripolyphosphate (PT), whose ─P═O group effectively mitigated the charged defects and lowered the carrier transport barriers and nucleation barriers of PVK, while the gradient distribution of K+ improved the crystalline quality of PVK film. Based on the dual-interface synergistic effect, the optimal MA-contained PSCs with an effective area of 0.1 cm2 achieved an efficiency of 24.51% and can maintain 90% of the initial value after aging (10-20% RH and 20°C) for 2000h.

Exploring synthesis, characterization, and computational insights into indacenodithiophene-based hole transporting materials for enhanced perovskite solar cell applications

Utilizing hole-transporting materials (HTMs) to extract and transport holes from perovskite materials to the electrode remains essential in most perovskite solar cell (PSC) architectures. Developing cost-effective and efficient HTMs is essential for advancing PSC technology. We have synthesized a novel HTM, TPA-IDT-TPA, which has an extended fused ring as the core moiety called indacenodithiophene (IDT) and p-methoxy triphenylamine (p-mTPA) as terminal groups. TPA-IDT-TPA exhibits appropriate frontier molecular orbital (FMO) energy levels that match perovskite materials. Density functional theory (DFT) simulations were performed to comprehend the electronic, excited-state, and charge transport properties. The DFT results indicate that the extended π-conjugation, rigidity, and the central core ring of the HTM enhanced the π-π stacking, contributing to efficient charge transport. The PSC constructed with TPA-IDT-TPA achieves a device efficiency of 8.34%, with high values of JSC and VOC, which can be further enhanced through molecular optimization.

Exploring the structural, photophysical, and electrical properties of Dopant-Free hole transporting material based on 2, 7-carbazole from experimental to simulation

This paper presents the development of a dopant-free HTM as a thin film, utilizing carbazole (2,7) as a central building block. The deposition of homogeneous thin films of HTM2 was successfully achieved through Physical Vapor Deposition. The morphological, optical, and electrical properties of the fabricated samples were extensively studied using techniques such as Atomic Force Microscopy (AFM), Scanning Electron Microscopy (SEM), UV–visible spectroscopy, and Photoluminescence Technique. The AFM and SEM analyses demonstrated the uniformity and flatness of the thin film surfaces. The UV spectra results indicated that the maximum absorption spectra did not exhibit significant shifts when measured in chlorobenzene solvent, with an estimated band gap of approximately 2.96 eV. Photoluminescence spectroscopy and decay time measurements were conducted on HTM2 thin films, which revealed emission in the green-yellow region. The photoluminescence spectra of the thin films exhibited red-shifted emission bands compared to the solution, attributable to stronger π-π intermolecular interactions resulting in the closeness of the molecules in the solid state. This work finally couples the theoretical and experimental results to validate our obtained results and to get an idea about the efficiency of the cell-based HTM2. The obtained results confirmed that the investigated material can find applications in perovskite solar cells.

Efficient perovskite solar cells based on polyoxyethylene bis(amine) and NaPF6 modified SnO2 layer with high open-circuit voltage

The electron transport layer (ETL) of SnO2 with a rough surface, low conductivity, and poor wettability has limited its application in perovskite solar cells (PSCs). To address this issue, we propose a strategy that involves the simultaneous use of bulk dopant NaPF6 and polymer stabilizer NH2-PEG-NH2 in SnO2. NH2-PEG-NH2 is compatible with both SnO2 and NaPF6, resulting in a homogeneous distribution. Additionally, the intrinsic hydrophilicity of the polymer facilitates the formation of a continuous and ordered ETL with improved wettability. The inclusion of NaPF6 as a bulk dopant enhances conductivity and promotes upper perovskite growth. As a result, optimized morphology, aligned energy levels, improved crystallinity, and reduced bottom defects are achieved in the fabricated perovskite layer. The champion device exhibits a power conversion efficiency (PCE) of ∼23.36%, which is ∼11.88% higher than that of the pristine device (PCE = 20.88%). Notably, the VOC reaches ∼1.2 V with only ∼0.08 V of VOC loss, which is among the highest report one. Furthermore, the PCE of the modified unpackaged PSC was only attenuated by 25% after 250 h of maximum power point tracking in the environment. These results present an alternative and effective approach for preparing high-quality SnO2 ETL for efficient PSCs.