Layer For Perovskite Solar Cells Research Articles

Surface Modification of TiO2 for High Performance in all Inorganic Perovskite Solar Cells

Titanium dioxide (TiO[Formula: see text] is a commonly employed electron transport layer in perovskite solar cells (PSCs) due to its exceptional attributes such as high mobility, a wide bandgap and remarkable stability against moisture and high temperatures. This holds particularly true for inorganic PSCs. Nevertheless, the substantial hysteresis and elevated trap defect levels following annealing present challenges to enhance the efficiency of the PSCs. Herein, we proposed a chemical bath deposition (CBD) method to fabricate the TiO2 layer, serving as the electron transport layer in CsPbBr3 solar cells. This method is coupled with KCl, which supplies an ample quantity of [Formula: see text] ions capable of diffusing into the CsPbBr3 perovskite film during the annealing process. The inclusion of [Formula: see text] ions significantly diminishes the solar cell hysteresis and enhances the crystalline quality of the perovskite material, thereby enhancing the performance of CsPbBr3 solar cells. By implementing the TiO2 and KCl treatments, we achieved an impressive efficiency of 9.49%. Furthermore, the device also exhibited excellent stability in air for 30 days.

Enhancing CsSn0.5Ge0.5I3 Perovskite Solar Cell Performance via Cu2O Hole Transport Layer Integration

Perovskite solar cells (PSCs) have emerged as a promising alternative to traditional silicon solar cells due to their low cost of fabrication and high power conversion efficiency (PCE). The utilization of lead halide perovskites as absorber layers in perovskite solar cells has been impeded by two major issues: lead poisoning and stability concerns. These hindrances have greatly impeded the industrialization of this cutting-edge technology. In light of the harmful effects of lead in perovskite solar cells, researchers have shifted their attention to exploring lead-free metal halide perovskites. However, the present alternatives to lead-based perovskite exhibit poor performance, thus prompting further inquiry into this matter. The primary objective of this research is to investigate the use of Cu2O as a hole transport layer in combination with lead-free metal halide perovskite (CsSn0.5Ge0.5I3) to achieve superior performance. Through meticulous experimentation, the suggested model has achieved outstanding results by optimizing several key variables. These variables include the thickness of the absorber layer (CsSn0.5Ge0.5I3), defect density, and doping densities, as well as the back contact work function and the operating temperature associated with each layer. The proposed FTO/PC60BM/CsSn0.5Ge0.5I3/Cu2O/Au solar cell structure surpassed prior configurations by comprehensively examining key aspects such as absorber layer thickness and defect density, doping densities, and back contact work. The structure has been also compared with multiple electron transport elements and concluded that the proposed model functions superior due to the use of PC60BM as an electron transport layer and it has an improved electron extraction procedure. Finally, the proposed model has achieved the optimized values as Jsc of 31.56 mA/cm-2, Voc of 1.12 V, FF of 81.47%, and PCE of 27.72%. As a consequence of this research, the investigated structure may be an excellent contender for the eventual creation of lead-free solar power cells made from perovskite.

Dual Defect Passivation at the Buried Interface for Printable Mesoscopic Perovskite Solar Cells with Reduced Open-Circuit Voltage Loss.

Numerous defects exist at the buried interface between the perovskite and adjacent electron transport layers in perovskite solar cells, resulting in severe non-radiative recombination and excessive open-circuit voltage (VOC) loss. Herein, a dual defect passivation strategy utilizing guanidine sulfate (GUA2SO4) as an interface modifier is first reported. On the one hand, the SO4 2- preferentially interacts with Pb-related defects, generating water-insoluble lead oxysalts complexes. Additionally, GUA+ diffuses into the perovskite and induces the formation of low-dimensional perovskite. These reactions effectively suppress trap states at the buried interface and perovskite boundaries in printable mesoscopic perovskite solar cells (p-MPSCs), thus increasing the carrier lifetime. Meanwhile, GUA2SO4 optimizes the interface energy band alignment, thus accelerating the charge extraction and transfer at the buried interface. This synergistic effect of trap passivation and interface energy band alignment modulation is strongly demonstrated by an increase in average VOC of 70mV and the power conversion efficiency improvement from 17.51% to 18.70%. This work provides a novel approach to efficiently improve the performance of p-MPSCs through dual-targeted defect passivation at the buried interface.

Single Crystal Seed Induced Epitaxial Growth Stabilizes α-FAPbI3 in Perovskite Solar Cells.

FAPbI3 stands out as an ideal candidate for the photoabsorbing layer of perovskite solar cells (PSCs), showcasing outstanding photovoltaic properties. Nonetheless, stabilizing photoactive α-FAPbI3 remains a challenge due to the lower formation energy of the competitive photoinactive δ-phase. In this study, we employ tetraethylphosphonium lead tribromide (TEPPbBr3) single crystals as templates for the epitaxial growth of PbI2. The strategic use of TEPPbBr3 optimizes the evolution of intermediates and the crystallization kinetics of perovskites, leading to high-quality and phase-stable α-FAPbI3 films. The TEPPbBr3-modified perovskite exhibits optimized carrier dynamics, yielding a champion efficiency of 25.13% with a small voltage loss of 0.34 V. Furthermore, the target device maintains 90% of its initial PCE under maximum power point (MPP) tracking over 1000 h. This work establishes a promising pathway through single crystal seed based epitaxial growth for achieving satisfactory crystallization regulation and phase stabilization of α-FAPbI3 perovskites toward high-efficiency and stable PSCs.

A Multifunctional Dye Molecule as the Interfacial Layer for Perovskite Solar Cells.

In perovskite solar cells (PSCs), defects in the interface and mismatched energy levels can damage the device performance. Improving the interface quality is an effective way to achieve efficient and stable PSCs. In this work, a multifunctional dye molecule, named ThPCyAc, was designed and synthesized to be introduced in the perovskite/HTM interface. On one hand, various functional groups on the acceptor unit can act as Lewis base to reduce defect density and suppress nonradiative combinations. On the other hand, the stepwise energy-level alignment caused by ThPCyAc decreases the accumulation of interface carriers for facilitating charge extraction and transmission. Therefore, based on the ThPCyAc molecule, the devices exhibit elevated open-circuit voltage and fill factor, resulting in the best power conversion efficiency (PCE) of 23.16%, outperforming the control sample lacking the interface layer (PCE = 21.49%). Excitingly, when attempting to apply it as a self-assembled layer in inverted devices, ThPCyAc still exhibits attractive behavior. It is worth noting that these results indicate that dye molecules have great potential in developing multifunctional interface materials to obtain higher-performance PSCs.

Structural, Mechanical, and Optoelectronic Properties of CH3NH3PbI3 as a Photoactive Layer in Perovskite Solar Cell

The structural, electronic, mechanical, and optical properties of pseudo-cubic CH3NH3PbI3 perovskite have been studied within the framework of density functional theory, in line with solar cell applications. The computed values of lattice and elastic constants concurred with the available theoretical and experimental data. This compound has a semi-conducting behavior, with a direct band gap of about 1.49 eV. Note that the solar radiation spectrum has a maximum energy intensity value of approximately 1.50 eV. Thus, semiconductors with such gaps are preferred for photovoltaic applications. Its elastic parameters reveal that it is a ductile material that is mechanically stable. Optical descriptors such as refractive index, reflectivity, extinction, energy loss, and absorption have been explored with the aim of establishing the optical features of the material. Our findings demonstrate that this perovskite is suitable for solar cell applications based on the size and nature of the band gap, as also supported by the obtained upper limit value of simulated power conversion efficiency via the spectroscopic limited maximum efficiency mathematical model.

Wide-bandgap donor polymers from organic photovoltaics as dopant-free hole transport layers for perovskite solar cells

Dopant-free polymer hole transport materials (HTMs) exhibit high thermal stability, hydrophobicity and film-processing capabilities, demonstrating excellent device efficiency and stability in perovskite solar cells (PSCs). Continued innovation of wide-bandgap polymers in organic photovoltaics (OPV) provides a valuable toolbox for developing polymeric HTMs. Here, we propose an effective molecule design for selecting structurally relevant polymers (D18, D18-Cl, PBQx-TCl) available for commercialization. We discover that the highly planar conjugated backbones play a crucial role in regulating the packing orientation of the film relative to the perovskite. The moderate aggregation with face-on packing orientation is conducive to the high-quality film, which is responsible for better contact with perovskite and superior charge extraction and transport. Simultaneously, these polymers with robust passivation enhanced the open circuit voltage (VOC) without additional passivation layers, streamlining the device process. Consequently, a PSC using dopant-free PBQx-TCl HTL demonstrated an efficiency of 24.12 % with a high VOC of 1.20 V and good operational stability (T90 > 600 h). This work reveals transparent structure–function-performance relationships between molecules and devices, paving the way for the subsequent development of high-performance HTMs.

Surface modification of halide perovskite using EDTA-complexed SnO2 as electron transport layer in high performance solar cells.

The long-term performance of metal halide perovskite solar cells (PSCs) can be significantly improved by tuning the surface characteristics of the perovskite layers. Herein, low-temperature-processed ethylenediaminetetraacetic acid (EDTA)-complexed SnO2 (E-SnO2) is successfully employed as an electron transport layer (ETL) in PSCs, enhancing the efficiency and stability of the devices. The effects of EDTA treatment on SnO2 are investigated for different concentrations: comparing the solar cells' response with 15%-2.5% SnO2 and E-SnO2 based ETLs, and it was found that 7.5% E-SnO2 provided the best results. The improved surface properties of the perovskite layer on E-SnO2 are attributed to the presence of small amount of PbI2 which contributes to passivate the defects at the grain boundaries and films' surface. However, for the excess PbI2 based devices, photocurrent dropped, which could be attributed to the generation of shallow traps due to excess PbI2. The better alignment between the Fermi level of E-SnO2 and the conduction band of perovskite is another favorable aspect that enables increased open-circuit potential (VOC), from 0.82 V to 1.015 V, yielding a stabilized power conversion efficiency of 15.51%. This complex ETL strategy presented here demonstrates the enormous potential of E-SnO2 as selective contact to enhance the perovskite layer properties and thereby allow stable and high-efficiency PSCs.

Interfacial Modification of NiOx for Highly Efficient and Stable Inverted Perovskite Solar Cells

AbstractNickel oxide is one of the most promising hole‐transporting materials in inverted perovskite solar cells (PSCs) but suffers from undesired reactions with perovskite which leads to limited device performance and stability. Self‐assembled monolayers (SAMs) are demonstrated to effectively optimize the NiOx/perovskite interface, but the significance of the compactness of the SAM at the interface is less investigated. Here, a series of methoxy‐substituted triphenylamine functionalized benzothiadiazole (TBT) based SAM molecules, TBT‐BA, TBT‐FBA, and TBT‐DBA, with benzoic acid, 2‐fluorobenzoic acid and isophthalic acids as anchoring groups are used to modify NiOx. TBT‐BA with the simplest structure is demonstrated to form the densest SAM on NiOx, thus optimized NiOx/SAM/perovskite interface is achieved with enhanced charge collection and suppressed interfacial reaction and recombination. TBT‐BA can also passivate the perovskite most effectively due to the highest binding energy toward perovskite, thus the corresponding inverted PSCs show the highest PCE of 24.8% and maintain 88.7% of the initial PCE after storage at 60 °C for 2635 h in the glovebox. The work provides important insights into designing SAM molecules for modification transporting layers for efficient and stable PSCs.

Investigation of Perovskite Solar Cells Using Guanidinium Doped MAPbI3 Active Layer.

In this work, guanidinium (GA+) was doped into methylammonium lead triiodide (MAPbI3) perovskite film to fabricate perovskite solar cells (PSCs). To determine the optimal formulation of the resulting guanidinium-doped MAPbI3 ((GA)x(MA)1-xPbI3) for the perovskite active layer in PSCs, the perovskite films with various GA+ doping concentrations, annealing temperatures, and thicknesses were systematically modulated and studied. The experimental results demonstrated a 400-nm-thick (GA)x(MA)1-xPbI3 film, with 5% GA+ doping and annealed at 90 °C for 20 min, provided optimal surface morphology and crystallinity. The PSCs configured with the optimal (GA)x(MA)1-xPbI3 perovskite active layer exhibited an open-circuit voltage of 0.891 V, a short-circuit current density of 24.21 mA/cm2, a fill factor of 73.1%, and a power conversion efficiency of 15.78%, respectively. Furthermore, the stability of PSCs featuring this optimized (GA)x(MA)1-xPbI3 perovskite active layer was significantly enhanced.

Facile metal-free synthesis of thiazolo[5,4-d]thiazole-containing conjugated polymers for thin-film electronics

Herein, we report the facile metal-free polycondensation reaction between dicarbonyl derivative and dithioxamide for the synthesis of thiazolo[5,4-d]thiazole-based semiconductor polymer. We showed that the polymers obtained by classical Suzuki or Stille reactions and proposed metal-free polycondensation possess similar optoelectronic and physicochemical characteristics. Their application as hole-transport layers in perovskite solar cells (PSCs) showed that the polymer obtained by an alternative method provides comparable or even slightly higher performance of devices. These results illustrate availability of organic semiconductor materials via alternative green and sustainable polycondensation reaction for the state-of-the-art photovoltaic technologies.

Influence of graphene dispersion on the photovoltaic performance of tandem solar cells with four-terminal perovskite–polycrystalline silicon configuration

Silicon’s prominence in photovoltaic technology stems from its abundance and safety. While Si-based solar cells demonstrate high energy conversion efficiency and long-term stability, they encounter challenges such as high costs, intricate fabrication processes, and suboptimal efficiency. To address these issues, researchers have developed tandem solar cells that combine silicon with perovskite cells. This research specifically investigates the use of the spin coating technique with graphene dispersion solutions to deposit graphene layers in perovskite solar cells (PSCs), providing a flexible and cost-effective alternative to conventional methods. By employing graphene as a protective sealant for the perovskite interlayer to prevent degradation, the study aims to enhance the overall performance and stability of tandem solar cells. Graphene was applied onto the hole transport layer at varying concentrations (1, 5, and 10 mg ml−1) in isopropanol. Notably, the introduction of graphene resulted in decreased power conversion efficiencies (PCEs) in PSC top cells over 60 h, with efficiency reductions of 43%, 24%, and 17% for different concentrations. Importantly, these efficiency declines were significantly lower compared to cells lacking a graphene layer, which experienced a sharp 93% decrease. This investigation underscores the critical role of graphene layers in improving the stability of PSC top cells while maintaining compatibility with the stability of poly-Si bottom cells.

Influence of the electron transport layer coating technique on sputter damage and its curing in inverted semi-transparent perovskite solar cells without protective buffer layer

In semi-transparent perovskite solar cells (PSCs) comprising a sputtered top electrode, the minimisation of detrimental sputter damage and/or its curing by post-processing treatment is essential to reach high efficiencies. In this work, we investigate the influence of sputter damage and post-deposition annealing steps for different electron transport layers (ETLs) in PSCs without the need of a protective buffer layer such as tin oxide deposited by atomic layer deposition. We compare solution-processed 6,6-Phenyl C61 butyric acid methyl ester (PCBM) to thermally evaporated C60, each in combination with a bathocuproine (BCP) layer deposited by spin coating or thermal evaporation including a thickness variation. In general, we find that C60 is more resilient against sputter damage and thus C60-based cells show higher as-grown power conversion efficiencies (PCEs). Post-deposition annealing of the complete cell stack increases the PCE further to values > 16 % on 0.5 cm2 active area. However, we observe that the remaining solvent in the spin-coated PCBM layer is highly beneficial for the curing of the sputter damage during post-deposition annealing and we achieve even higher PCEs for cells incorporating solution-processed PCBM with up to > 18 % on 0.5 cm2. We show an alternative way to reach high efficiency semi-transparent perovskite solar cells without using thermally evaporated C60 and/or a buffer layer like tin oxide deposited by atomic layer deposition (ALD).

Fine tuning of Nb-incorporated TiO2 thin films by atomic layer deposition and application as efficient electron transport layer in perovskite solar cells

Access to finely tuned thin films that can act as electron transport layer (ETL) and adapt to the absorber composition and whole cell fabrication process is key to achieve efficient perovskite-based solar cells. In this study, the growth of mixed niobium-titanium oxide (Nb-TiO2) thin films by atomic layer deposition and its use to extract photogenerated electrons is reported. Films were obtained at 200 °C from titanium (IV) i-propoxide, (t-butylimido)tris(diethylamido)niobium(V), and water by introducing Nb2O5 growth cycle in a TiO2 matrix. Process parameters (order of precursor introduction, cycle ratio) were optimized; the growth mechanism and the effective Nb incorporation were investigated by an in situ quartz crystal microbalance and x-ray photoelectron spectroscopy. The composition, morphology, structural, and optoelectronic properties of the as-deposited films were determined using a variety of characterization techniques. As a result, a fine control of the film properties (between TiO2 and Nb2O5 ones) could be achieved by tuning Nb content. To allow a successful implementation in solar devices, a comprehensive annealing study under several conditions (temperatures, various atmospheres) was conducted leading to an evolution of the optical properties due to a morphological change. Ultimately, the incorporation of these 15 nm-thick films in mesoscopic perovskite solar cells as ETL shows an improvement of the cell performances and of their stability with increasing Nb content, in comparison of both TiO2 and Nb2O5 pure compounds, reaching power conversion efficiency up to 18.3% and a stability above 80% of its nominal value after 138 h under illumination.

Molecularly Engineered Multifunctional Bridging Layer Derived from Dithiafulavene Capped Spiroxanthene for Stable and Efficient Perovskite Solar Cells.

This study introduces a novel approach centered around the design and synthesis of an interfacial passivating layer in perovskite solar cells (PSCs). This architectural innovation is realized through the development of a specialized material, termed dithiafulvene end-capped Spiro[fluorene-9,9'-xanthene], denoted by the acronym AF32. In this design architecture, dithiafulvene is thoughtfully attached to the spiroxanthene fluorene core with phenothiazine as the spacer unit, possessing multiple alkyl chains. AF32 passivates interfacial defects by coordinating the sulfur constituents of the phenothiazine and dithiafulvene frameworks to the uncoordinated Pb2+ cations on the surface of the perovskite film, and the alkyl chains construct a hydrophobic environment, preventing moisture from entering the hydrophilic perovskite layer and improving the long-term stability of PSCs. Furthermore, this conductive interlayer facilitates hole transport in PSCs due to its well-aligned molecular orbital levels. Such improvements translated into an enhanced power conversion efficiency (PCE) of 22.6% for the device employing 1.5 mg/mL AF32, and it maintained 85% of its initial PCE after more than 1800 h under ambient conditions [illumination and 45 ± 5% relative humidity (RH)]. This study not only marks progress in photovoltaic technology but also expands our understanding of manipulating interfacial properties for optimized device performance and stability.

Fluorinated Polyimide Tunneling Layer for Efficient and Stable Perovskite Photovoltaics

Despite the remarkable progress of perovskite solar cells (PSCs), challenges remain in terms of finding effective and viable strategies to enhance their long‐term stability while maintaining high efficiency. In this study, a new insulating and hydrophobic fluorinated polyimide (FPI: 6FDA‐6FAPB) was used as the interface layer between the perovskite layer and the hole transport layer (HTL) in PSCs. The functional groups of FPI play a pivotal role in passivating interface defects within the device. Due to its high work function, FPI demonstrates field‐effect passivation (FEP) capabilities as an interface layer, effectively mitigating non‐radiative recombination at the interface. Notably, the FPI insulating interface layer does not impede carrier transmission at the interface, which is attributed to the presence of hole tunneling effects. The optimized PSCs achieve an outstanding power conversion efficiency (PCE) of 24.61% and demonstrate excellent stability, showcasing the efficacy of FPI in enhancing device performance and reliability.

Fluorinated Polyimide Tunneling Layer for Efficient and Stable Perovskite Photovoltaics.

Despite the remarkable progress of perovskite solar cells (PSCs), challenges remain in terms of finding effective and viable strategies to enhance their long-term stability while maintaining high efficiency. In this study, a new insulating and hydrophobic fluorinated polyimide (FPI: 6FDA-6FAPB) was used as the interface layer between the perovskite layer and the hole transport layer (HTL) in PSCs. The functional groups of FPI play a pivotal role in passivating interface defects within the device. Due to its high work function, FPI demonstrates field-effect passivation (FEP) capabilities as an interface layer, effectively mitigating non-radiative recombination at the interface. Notably, the FPI insulating interface layer does not impede carrier transmission at the interface, which is attributed to the presence of hole tunneling effects. The optimized PSCs achieve an outstanding power conversion efficiency (PCE) of 24.61% and demonstrate excellent stability, showcasing the efficacy of FPI in enhancing device performance and reliability.

Synergetic modification on buried and upper surfaces of perovskites with nitrogen-doped carbon quantum dots for efficient and stable solar cells

Tin oxide (SnO2), which is used as an electron transport layer in perovskite solar cells (PSCs), however, has nonnegligible defects. The surface of SnO2 films contains hydroxyl groups (–OH), which increases film defects and affects the quality of the upper perovskite. The energy level mismatch is also found in SnO2, which leads to severe nonradiative recombination and unsatisfactory photovoltaic performance. Meanwhile, excessive PbI2 residues on the perovskite surface serve as catalytic decomposition sites, significantly undermining device stability. In this study, nitrogen-doped carbon quantum dots (N-CQDs) were synthesized by using human hair as a raw material and were employed as an additive for interface between SnO2 and perovskites to improve interfacial charge transport. In addition, these N-CQDs were also used as a surface modifier on top of the perovskite layer to reduce residual PbI2. These results significantly increase the power conversion efficiency (PCE) of the related devices from 19.22% to 21.49%. The CQDs-modified device also shows significantly enhanced operational stability that when exposed to 30% humidity, the PCE of the optimized device retains 86% of its initial value after 1200 h. This study emphasizes the great potential of N-CQDs as a multifunctional interfacial modifier for fabrication of efficient and stable PSCs.

Investigating inorganic perovskite as absorber materials in perovskite solar cells: machine learning analysis and optimization

This work investigates the potential of inorganic perovskites AgBiSCl2 and Al2Cu2Bi2S3Cl8 as absorber layers in perovskite solar cells, followed by the application of supervised machine learning models. Extensive exploration and optimization of device architectures FTO/SnO2/AgBiSCl2/Spiro-OMeTAD/Au and FTO/SnO2/Al2Cu2Bi2S3Cl8/Spiro-OMeTAD/Au are conducted, involving variations in absorber layer thickness (d), bulk defect density (Nt), and carrier mobility (μ n,p). The AgBiSCl2-based device achieves an optimized conversion efficiency of 10.06%, while the Al2Cu2Bi2S3Cl8-based device achieves 12.27%. To train different machine learning models, 1600 datasets are collected for each device, and Neural Networks (NN), Random Forests (RF), and XGBoost (XGB) models are employed. The performance parameters, evaluated using mean squared error (MSE) and high R-squared (R2) values, demonstrate that XGB performs the best, achieving an MSE of 0.210 and R2 of 97.1% for AgBiSCl2 and 0.671 and 90.6% for Al2Cu2Bi2S3Cl8. Additionally, the impact of each variable (d, Nt, and μ n,p) on the output is analyzed using Shapley Additive Explanations (SHAP) plots for each model. The results presented in this study pave the way for the advancement of perovskite material-based solar cells without relying on complex optoelectronic semiconducting equations and device simulators.

Recent developments in perovskite materials, fabrication techniques, band gap engineering, and the stability of perovskite solar cells

Organic-inorganic hybrid metal halide perovskite solar cells (PSC) represent a novel class of optoelectronic semiconductors that have garnered significant attention from photovoltaic researchers globally. This is due to their continually improving efficiency, straightforward solution processing methods, use of lightweight and cost-effective materials, and other notable features. The advantageous properties of perovskite materials, such as superior charge transport, tunable band gap, and distinctive electronic structure, contribute to their appeal. Over the past 6 to 7 years, diverse device architectures and fabrication techniques for PSC have emerged, achieving an impressive power conversion efficiency (PCE) of 25.7%. This review article primarily focuses on recent advancements in PSC fabrication techniques, synthesis, device architecture, charge transport mechanisms, band gap engineering, and stability. Additionally, it provides a summary of recently reported materials used in various layers of PSC, including the perovskite layer, as well as electron and hole transport layers. Lastly, the article outlines the challenges faced in the development of PSC, offers recommendations, and suggests potential directions for future research to guide the field forward.