Lewis Base Surface Passivation of Perovskite Solar Cell

A passivating agent for perovskite solar cells that significantly improves photoelectric conversion efficiency by stabilizing the perovskite compound. The agent contains a tridentate cationic compound with a tryptycene backbone, which is synthesized by introducing three cations into a tryptycene compound. The tridentate cationic compound is applied to the surface of the perovskite compound to prevent degradation and enhance stability, resulting in improved photoelectric conversion efficiency.

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A perovskite solar cell with improved electron transfer efficiency and stability, comprising a perovskite layer, a composite passivation layer formed by cross-linking a polydopamine-modified layered double metal hydroxide, and a bimetallic composite oxide layer prepared by calcining a layered double metal hydroxide. The composite passivation layer is formed by coating a composite material solution onto the perovskite layer and annealing, while the bimetallic composite oxide layer is prepared by calcining a layered double metal hydroxide at 250°C for 2 hours.

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A perovskite solar cell with improved performance through a semi-opening passivation contact structure. The structure features a continuous or discontinuous insulating or low-conductivity material layer between the charge transport layer and perovskite layer, which reduces non-radiative recombination loss and enables simultaneous enhancement of open-circuit voltage and fill factor.

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A method for preparing a solar cell device with an inverted structure, comprising: forming a perovskite light-absorbing layer on a first electrode; placing the intermediate product in a fumigation atmosphere for fumigation treatment, wherein the fumigation atmosphere includes a gaseous passivation material and a gaseous solvent, wherein the solvent can dissolve the surface material of the perovskite light-absorbing layer, and the passivation material can undergo a passivation reaction with the dissolved surface material to form a passivation layer on the surface of the perovskite light-absorbing layer.

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Perovskite solar cell with improved efficiency and stability, comprising a lower electrode, hole transport layer, perovskite layer, passivation layer containing a halide organic material, electron transport layer, and upper electrode. The passivation layer prevents defects and energy level mismatches between the perovskite and electron transport layers, enabling high-efficiency operation.

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A method for preparing high-quality perovskite layers for solar cells, comprising incorporating a third component with a molecular size greater than a threshold value into the perovskite crystal structure. The third component, which can be an organic molecule or a substituted alkyl group, is located on the surface and/or grain boundary of the perovskite crystal and enhances passivation of defects and interfaces. The perovskite layer is then formed through a solution-based method, followed by annealing to remove solvent and crystallize the perovskite structure.

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Solar cell with improved efficiency and stability, comprising a perovskite light absorption layer, an electron transport layer, and an interface passivation layer containing an ionic polymer passivator with a positively charged nitrogen heterocycle and an anion, where the polymer's main chain is connected to at least one substituent. The passivator prevents ion migration and diffusion into the perovskite layer, enhancing device stability and efficiency.

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Perovskite solar cells with high power conversion efficiency and long-term stability to ambient humidity and heat. The cells feature a 3D/2D perovskite heterojunction where the 2D perovskite layer is anchored to the 3D perovskite layer with oleylammonium-iodide molecules. This heterojunction is formed at the electron-selective interface, enabling efficient top-contact passivation and suppressing ion migration. The cells demonstrate a power conversion efficiency of 24.3% and retain >95% of their initial value after >1000 hours of damp-heat testing, meeting industry stability standards for photovoltaic modules.

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A solar cell with an energy-selective contact layer that enables hot carrier transport through a single material, eliminating the need for quantum dots or complex deposition processes. The energy-selective contact layer is formed from a low-dimensional perovskite material that selectively transports electrons or holes, enabling efficient hot carrier extraction and conversion.

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A perovskite photoactive composite layer for solar cells that enhances efficiency and stability through vertical crystal orientation and surface defect passivation. The layer comprises a two-dimensional perovskite photoactive layer and a passivation layer formed from an organic monomolecular compound. The passivation layer is applied to the perovskite layer through a post-treatment process, inducing vertical crystal growth and reducing surface defects. The composite layer is prepared by dissolving a solute containing phenethylammonium iodide, methylammonium iodide, lead iodide, and lead chloride in a first solvent, forming a perovskite precursor thin film, and subjecting it to vacuum treatment and thermal annealing. The passivation layer is then applied by dissolving the organic monomolecular compound in a second solvent and applying it to the top of the perovskite layer.

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A method for improving the stability of perovskite solar cells at elevated temperatures, comprising reducing the bromine content in the perovskite absorber layer to 8% or less, and incorporating a specific ionic liquid additive, BMIM:BF4, into the perovskite precursor. The method also involves using a NiOx hole transport layer (HTL) in place of conventional PTAA, and applying a post-treatment to the perovskite film prior to the deposition of the electron transport layer (ETL). The combination of these approaches enables perovskite solar cells to maintain their initial efficiency and stability under accelerated aging conditions at 70°C.

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Method for manufacturing perovskite solar cells with improved interfacial energy matching, comprising treating the perovskite layer with a surface treatment solution containing a compound capable of substituting the A cation site, and a mixed solution containing a compound capable of substituting another A cation site, to lower the energy barrier and enhance electron mobility.

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Perovskite solar cell with improved stability and efficiency, comprising a perovskite light absorption layer with an interface passivation layer comprising perovskite quantum dots (QDs) that coordinate with organic ligands containing nitrogen and carboxyl groups. The QDs are synthesized through a controlled crystallization process using a mixed solvent system, and are integrated into the perovskite solar cell to mitigate defects and enhance device performance.

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Perovskite solar cells (PSCs) suffer from a quick efficiency drop after fabrication, partly due to surface defects, and efficiency can be further enhanced with the passivation of surface defects. Herein, surface passivation is reviewed as a method to improve both the stability and efficiency of PSCs, with an emphasis on the chemical mechanism of surface passivation. Various molecules are utilized as surface passivants, such as halides, Lewis acids and bases, amines (some result in low-dimensional perovskite), and polymers. Multifunctional molecules are a promising group of passivants, as they are capable of passivating multiple defects with various functional groups. This review categorizes these passivants, in addition to considering the potential and limitations of each type of passivant. Additionally, surface passivants for Sn-based PSCs are discussed since this group of PSCs has poor photovoltaic performance compared to their lead-based counterpart due to their severe surface defects. Lastly, future perspectives on the usage of surface passivation as a method to improve the photo... Read More

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A long-lasting and stable perovskite solar cell with improved air and thermal stability, comprising a self-protected perovskite light-absorbing layer, a multifunctional protective layer, and a composite electron transport layer. The multifunctional protective layer is formed in-situ through a one-step antisolvent method, providing hydrophobic and thermal protection to the perovskite. The composite electron transport layer is a two-layer structure with PC61BM and C60, and is deposited on the multifunctional protective layer. The cell is fabricated using a spin coating method with controlled spin coating speed and time, and is annealed at a temperature of 70-120°C for 5-20 minutes.

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Enhancing the stability and efficiency of perovskite solar cells through a novel approach to passivating surface defects and grain boundaries. The method involves depositing a perovskite precursor solution on a substrate to form a film, followed by a controlled deposition process to create a perovskite layer. The film is then integrated into photovoltaic devices, where the perovskite layer acts as a protective barrier against moisture, oxygen, and light-induced degradation. This approach enables the creation of high-quality perovskite films with enhanced stability and efficiency compared to conventional methods.

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A perovskite solar cell with improved efficiency and stability, comprising a perovskite material with reduced crystal defects, achieved through the use of specific ionic compounds containing a five-membered heterocyclic ring as a passivation layer or additive. The compounds, represented by formulas (3) to (5), are designed to suppress and repair defects in the perovskite material, resulting in enhanced photovoltaic performance and stability.

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A method to improve the stability of perovskite photovoltaic cells by selectively passivating grain boundaries using a biphenyl methylammonium halide (BiPhX) ligand. The BiPhX ligand is applied to the interface between the perovskite layer and the hole transport layer, where it forms a protective coating that prevents degradation of the perovskite material. The passivation layer is particularly effective at preventing moisture-induced degradation, and has been shown to improve the stability and efficiency of perovskite solar cells.

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Perovskite solar cells have garnered significant attention due to their outstanding photoelectric properties. However, the majority of widely used perovskite polycrystalline ion crystal films are prepared through solution treatment processes, which often lead to the formation of high-density defects during the crystallization process. These defects within the device can be quite severe and are a major contributor to non-radiative recombination, limiting the enhancement of photovoltaic performance and stability of solar cell devices. In this paper, we review the latest advancements in defect passivation strategies for perovskite crystals, encompassing Lewis acid, Lewis base, and Lewis acid-base synergy approaches. We delve into the regulatory mechanisms and passivation effects of these various strategies on perovskite surface/interface defects. Furthermore, we anticipate the application of these defect passivation techniques in future studies, hoping to further enhance the performance and stability of perovskite solar cells.

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A method to prepare continuous two-dimensional perovskite layers in solar cells through a controlled synthesis process. The method involves preparing a three-dimensional perovskite layer on a substrate, followed by a surface treatment that selectively promotes the formation of a continuous two-dimensional perovskite layer. This selective treatment enables the formation of a uniform, two-dimensional perovskite layer that covers the entire substrate surface, while maintaining the three-dimensional perovskite structure.

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Passivated perovskite structures for solar cells that utilize a dynamic hindered urea bond-based Lewis acid-base material to heal defects and improve device stability. The material absorbs moisture to release Lewis bases that coordinate with unpaired cationic defects, preventing detrimental molecule penetration and enhancing long-term device performance. The passivated perovskite structures achieve a power conversion efficiency of up to 22.3% and maintain over 85% efficiency after 3500 hours of storage under ambient conditions.

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Among the non-toxic perovskites, tin-halide perovskite solar cell (PSC) is the most attractive for commercial application. However, their efficiencies and long-term stability currently lag behind their toxic lead-based counterparts, primarily due to high open-circuit voltage $(\mathrm{V}_{\mathrm{O}\mathrm{C}})$ loss and oxidation. In this study, we introduce poly(vinylidene fluoride) (PVDF) as a polymer passivation agent within the tin perovskite structure, leveraging the ability of the fluorine atoms in the PVDF chain to establish robust hydrogen bonds with organic cations. The interaction of PVDF with perovskite depends on the twostep and three-step annealing (3SA) process during the perovskite film growth. We obtained a PSC with higher efficiency in the 3SA process, reduced defect density, and improved film quality.

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Passivating perovskite solar cells (PSCs) with graphene quantum dots (GQDs) to enhance their stability against environmental degradation. The passivation layer comprises a thin layer of nitrogen-doped graphene quantum dots (NGD) interposed between the perovskite layer and a metal oxide layer. This interfacial layer suppresses defect-assisted recombination, improves charge carrier mobility, and enhances the overall device performance. The NGD layer prevents oxygen and moisture infiltration into the perovskite layer, while its small size enables precise control over defect suppression. The resulting PSCs exhibit improved stability, reduced recombination lifetime, and enhanced charge carrier mobility compared to conventional perovskite solar cells.

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A perovskite solar cell with enhanced stability through a novel one-dimensional perovskite coating layer. The coating layer, formed by co-evaporation of PbI2 and propargyl ammonium iodide, creates a continuous one-dimensional structure on the perovskite surface. This architecture prevents defects and ion migration, while maintaining high photoelectric conversion efficiency. The coating layer also protects the perovskite from environmental degradation by blocking water, oxygen, and UV light. The one-dimensional structure of the coating layer enables superior interfacial stability compared to traditional two-dimensional perovskite layers.

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A perovskite solar cell with enhanced stability through a novel two-dimensional perovskite coating layer. The coating layer, comprising lead pyridine-2-carboxylate, forms a protective barrier between the perovskite surface and environment, preventing water, oxygen, and UV light ingress. This dual-layer architecture combines the superior stability of the perovskite layer with the enhanced environmental protection of the coating layer, enabling high-performance solar cells with improved durability and reduced degradation rates.

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A surface passivation strategy using CTPC molecules is proposed to enhance the efficiency of inverted perovskite solar cells to 24.63%.

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Passivation treatment is an effective method to suppress various defects in perovskite solar cells (PSCs), such as cation vacancies, under-coordinated Pb

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The top surface of the perovskite layer and the interface with the electron transporting layer play a key role in influencing the performance and operational stability of inverted perovskite solar cells (PSCs). A deficient or ineffective surface passivation strategy at the perovskite/electron transport layer interface can significantly impact the efficiency and scalability of PSCs. This study introduces phenyl dimethylammonium iodide (PDMAI

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Surface passivation using organic molecules with appropriate charge distribution and geometric structure is crucial for achieving high-performance perovskite solar cells. Here, diphenylsulfone (DPS) and 4,4-dimethyldiphenylsulfone (DMPS) with a conjugated structure are introduced at the perovskite and hole transport layer interface to investigate the impact of charge distribution on the interaction between the molecules and the perovskite surface. The presence of a methyl group in DMPS with a D--A structure optimizes charge distribution and enhances the passivation effect, resulting in an improved energy level alignment and facilitating hole transport. The perovskite solar cells using a DMPS treatment achieve an increase in power conversion efficiency to 23.27% with high stability, maintaining 92.5% of initial efficiency at 30% relative humidity for 1,000 h. This surface passivation strategy offers a promising avenue for enhancing the photovoltaic performance and environmental stability of perovskite solar cells, paving the way for future advancements in this domain.

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Chemical defects at the surface and grain boundaries of perovskite crystals cause deterioration of conversion efficiency and stability of perovskite solar cells (PSCs). In this study, a multifunctional additive, 5-fluoro-2-pyrimidine carbonitrile (FPDCN) molecule, is added into the perovskite precursor solution in order to passivate the uncoordinated Pb

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A method for passivating defects in metal halide perovskite layers using a multi-functional molecule that concurrently has electron-rich and electron-poor domains. The molecule, such as PhenHCl, effectively passivates both cationic and anionic defects in the perovskite layer, including surface and inter-grain defects, through strong hybridization with the perovskite atoms. The multi-functional molecule's electron-rich and electron-poor domains enable it to effectively passivate both positively and negatively charged defects, leading to improved device stability and performance.

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Abstract Due to their excellent photoelectric conversion efficiency and low preparation cost, perovskite solar cells (PSCs) have attracted much attention from researchers and developed rapidly in the past decade. However, the stability and efficiency of perovskite photovoltaic devices still need to be improved for their practical applications. It is mainly because the perovskite thin films are inevitably defective to some extent (such as points defects and extrinsic defects), leading to the occurrence of nonradiative recombination (NRR) inside the device and at the interface, which is closely related to the stability and efficiency of perovskite materials. Therefore, exploring reliable passivation strategies is essential to overcome the adverse effects of NRR losses of such point defects. Here, this article summarizes the perovskite solar cells, including the crystal structure and calculations of electronic properties of perovskites, composition, and principles of operation of perovskite solar cells, and more importantly, different passivation strategies, including Lewis acidbase p... Read More

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Perovskite solar cells with improved passivation and transmission layer uniformity through the use of high molecular weight materials in their transmission layers. The transmission layer is formed using a wet process on a material with a molecular weight of at least 80,000, which enables the formation of ultra-thin, continuous films on rough substrates. This approach addresses the conventional limitations of traditional transmission layers and passivation layers in perovskite solar cells, particularly for rough substrates like silicon wafers and glass substrates.

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A perovskite solar cell with improved long-term stability, comprising a conductive glass substrate, a hole transport layer, a perovskite layer, an electron transport layer, and a metal back electrode. The perovskite layer is passivated by a novel organic acid or polymer containing nitrogen, oxygen, sulfur, or phosphorus, which effectively stabilizes the perovskite phase and fixes lithium ions, thereby enhancing the device's stability and efficiency.

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A perovskite solar cell that enhances efficiency and stability through optimized interface passivation. The cell employs a novel interface passivation material with a concentration range of 0.1-40 mmol/L, which maintains complete passivation while preventing excessive tunneling through the material. The passivation material is incorporated into the interface between the perovskite and conductive glass substrates, ensuring efficient carrier transport while minimizing recombination. The cell also employs a novel back electrode preparation method that utilizes laser etching to create a uniform surface for the perovskite layer.

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Perovskite solar cell with improved stability and a method for manufacturing the perovskite solar cell. The solar cell comprises a passivation layer containing an aza fused bicyclic compound and/or an organic salt formed from the aza fused bicyclic compound and an acid. The aza fused bicyclic compound has fused rings that are independently five-membered or six-membered saturated, unsaturated, or aromatic rings, and contains 1-5 nitrogen atoms. The fused rings are unsubstituted or substituted with one or two substituents having 1-3 carbon atoms. The passivation layer is formed by applying a perovskite precursor solution and an anti-solvent, followed by annealing treatment.

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Extensive research has been recently conducted to improve the power conversion efficiency (PCE) of perovskite solar cells. However, the charge carriers are easily trapped by the defect sites located at the interface between the perovskite layer and the electrode, which decreases the PCE. To reduce such defect sites, the passivation technique is frequently employed to coat small molecules on the perovskite surface during the manufacturing process. To clarify the passivation mechanism from a molecular viewpoint, we performed density functional theory calculations to target Pb-free Sn perovskites (CH3NH3SnI3). We investigated the passivation effect of Lewis base/acid molecules, such as ethylene diamine (EDA) and iodopentafluorobenzene (IPFB), and discussed behaviors of the defect levels within the bandgap as they have strong negative impacts on the PCE. The adsorption of EDA/IPFB on the Sn perovskite surface can remove the defect levels from the bandgap. Furthermore, we discuss the importance of interactions with molecular orbitals.

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Defects in perovskite films are one of the main factors that affect the efficiency and stability of halide perovskite solar cells (PSCs). Uncoordinated ions (such as Pb2+, I-) act as trap states, causing the undesirable non-radiative recombination of photogenerated carriers. The formation of Lewis acid-base adducts in perovskite directly involves the crystallization process, which can effectively passivate defects. In this work, 4-(trifluoromethyl)-1H-imidazole (THI) was introduced into the perovskite precursor solution as a passivation agent. THI is a typical amphoteric compound that exhibits a strong Lewis base property due to its lone pair electrons. It coordinates with Lewis acid Pb2+, leading to the reduction in defect density and increase in crystallinity of perovskite films. Finally, the power conversion efficiency (PCE) of PSC increased from 16.49% to 18.97% due to the simultaneous enhancement of open-circuit voltage (VOC), short circuit current density (JSC) and fill factor (FF). After 30 days of storage, the PCE of the 0.16 THI PSC was maintained at 61.9% of its initial val... Read More

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Organic metal salt compounds for lower interface passivation in perovskite solar cells, comprising a conductive segment, an acid radical-containing end group connection segment, and a metal ion. The compounds interact with uncoordinated Pb at the lower interface to passivate defects, and can also interact with the TCO layer to passivate substrate surface defects. The metal ions can react or dope with the perovskite absorber layer to passivate interface defects and adjust energy level matching. The compounds can be used as a standalone interface passivation layer or as a mixed solution with a hole transport material to form a hole transport functional layer.

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Halide perovskite solar cells (PSCs) with state-of-the-art efficiencies consist of thermally unstable methylammonium (MA). In this report, we have employed the surface passivation method with multifunctional fluoroarene molecule, which suppresses the formation of PbI2 and -perovskite phase in MA/Br-free perovskite film. The penta fluoro-phenylhydrazine (SF -PHZ) passivation effectively mitigates the defects at surface or grain boundaries in perovskite film with fluoroarene embedded interfacial layer as a consequence of stronger halogen bonding with fluoroarene moieties or NH-NH2 terminal. As a result, the PSC with a p-i-n configuration achieved superior operational thermal stability and a PCE exceeding 22 % with a large area of ~1 cm2, This work underscores a universal strategy for defect passivation to further improvement of efficiency using a multifunctional passivator. This report gives insights into the film growth properties, device photo-physics, and defect analysis correlating with device performance and device stability.

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A method for preparing a perovskite material layer for solar cells that enhances charge transport and efficiency. The method involves adding N-type or P-type nano-conductive particles to the perovskite precursor solution, which are then enriched at grain boundaries during crystallization to form channels. A barrier layer is also applied to prevent charge recombination and passivate surface defects. The resulting perovskite material layer exhibits improved charge extraction and transmission, leading to enhanced solar cell performance.

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A compound with the structural formula (G1)n-R-(G2)m is used as a modification layer in perovskite solar cells to passivate lower interface defects, reduce interfacial recombination, and improve carrier transport and collection. The compound is applied between the perovskite absorber layer and the first carrier transport layer, and can be used in both p-i-n and n-i-p device configurations.

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A method for passivating metal halide perovskite surfaces using an organic dye derivative that undergoes thermal conversion to form a stable dye. The dye is dissolved in a liquid and applied to the perovskite surface through spin-coating or drop-casting. The liquid and dye mixture undergoes thermal annealing to convert the dye derivative into a stable, fully dissolved dye that forms a protective layer on the perovskite surface. This approach enables the creation of stable perovskite solar cells through surface passivation without the need for conventional passivation agents.

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Dicyanobenzene (DCB), a weak Lewis base, effectively passivates perovskite films by eliminating residual PbI 2 , enhancing crystallinity, and reducing trap state density, thus enhancing perovskite solar cell performance and stability.

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Facile spontaneous fabrication of HTL and perovskite surface passivation are strategically developed via bilateral movement of self-assembled molecules from perovskite solution. Perovskite solar cells achieve a record-high efficiency of 22.2% and long-term stability over 2750 h.

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Wettability measurements with selected solutions reveal that passivation, which is vital for state-of the-art perovskite solar cells, is crucial to suppress hydrogen bonds for hydrophobic perovskite surfaces.

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Abstract Molecular passivation on perovskite surface is an effective strategy to inhibit surface defectassisted recombination and reduce nonradiative recombination loss in perovskite solar cells (PSCs). However, the majority of passivating molecules bind to perovskite surface through weak interactions, resulting in weak passivation effects and susceptible to interference from various factors. Especially in carbonbased perovskite solar cells (CPSCs), the molecular passivation effect is more susceptible to disturbance in subsequent harsh preparation of carbon electrodes via bladecoating route. Herein, bidentate ligand 2,2Bipyridine (2Bipy) is explored to passivate surface defects of CsPbI 2.6 Br 0.4 perovskite films. The results indicate that compared with monodentate pyridine (Py), bidentate 2Bipy shows a stronger chelation with uncoordinated Pb(II) defects and exhibits a greater passivation effect on perovskite surface. As a result, 2Bipymodified perovskite films display a significantly boosted photoluminescence lifetime, accompanied by excellent anchoring stability and antid... Read More

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Crystallization modulation and defect passivation are key for high performance perovskite solar cells (PSCs) through suppressing defects in the surface and/or near the grain boundaries (GBs) of solution-processed perovskite films.

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A simple passivation strategy using a common fluorinated salt is reported that seeks to enhance the photovoltaic performance and long-term stability of halide perovskite solar cells. Tetra-n-butyl ammonium hexa-fluorophosphate is used as a passivating agent to mitigate the surface defects on the perovskite and impede the ion mobility by virtue of H-bonding. In addition, the presence of fluorine atoms causes strong hydrophobicity, which in turn improves the moisture stability in perovskite solar cells. More details can be found in article number 2200211, Samrana Kazim and co-workers.

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This article provides a comprehensive review of the strategies for passivating defects in wide-bandgap perovskite solar cells.

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