Organic-inorganic Halide Perovskite Solar Cells Research Articles

Ab-initio study of hybrid perovskites Cs2AgGaCl6 for solar cells applications

Double perovskites have garnered significant attention for use in renewable energy applications, particularly solar cells. The development of organic-inorganic hybrid halide perovskite solar cells has advanced rapidly over the last ten years. In this article, fundamental aspects of transport properties of Cs2AgGaCl6 have been illustrated using DFT-based simulation. Constantly is covered that the calculated lattice constant agreed with the available experimental data. With an indirect band gap, the electronic profile demonstrates a semiconducting nature. Reporting bandgap of 1.20 eV for Cs2AgGaCl6. This bandgap remains suitable for solar cell semiconductors. The computed values of effective masses reveal that effective masses of holes are greater than those of electrons. Further various optical parameters have also been examined. The absorption of light in the visible and ultraviolet spectrums is guaranteed by the absorption bands 2.7–4.2 eV and 3.5–4.5 eV. We believe that such insights offer a new starting point and a framework for future research. So, knowledge and drive gained from these studies will stimulate more theoretical investigation into novel perovskite-based materials with novel applications.

Design and Optimization of Plasmonic Nanoparticles-Enhanced Perovskite Solar Cells Using the FDTD Method.

This study explores how plasmonic nanoparticles affect absorption, transmission, and reflection—three important performance metrics in organic-inorganic halide perovskite solar cells (PSCs). Through an investigation of different types of nanoparticles and their concentration in the composite layer, the study provides important information for improving PSC design in order to increase overall efficiency. The results highlight the importance of the type and volume fraction of nanoparticles in the composite layer, which influence the spectral characteristics of the solar cell, such as absorption, reflection, and transmission. These findings could encourage PSCs to be widely used as a practical and affordable renewable energy source, which would advance the development of affordable and efficient solar energy technologies.

Unraveling Interface-Driven and Loss Mechanism-Centric Phenomena in 3D/2D Halide Perovskites: Prospects for Optoelectronic Applications.

In recent years, organic-inorganic metal halide perovskite solar cells (PSCs) have attracted considerable interest due to their remarkable and rapidly advancing efficiencies. Over the past decade, PSC efficiencies have significantly approached those of state-of-the-art silicon-based photovoltaics, making them a promising material. Currently, the scientific community widely recognizes the performance of 3D-PSCs and 2D-PSCs individually. However, when both are combined to form a heterostructure, the lattice and charge dynamics at the interface undergo a multitude of mechanisms that affect their performance. The interface between heterostructures facilitates the degradation of PSCs. The degradation pathways can be attributed to lattice distortions, inhomogeneous energy landscapes, interlayer ion migration, nonradiative recombination, and charge accumulation. This Review is dedicated to examining the phenomena that arise at the interface of 3D/2D halide perovskites and their related photophysical properties and loss mechanism processes. We mainly focus on the impact of lattice mismatch, energy level alignment, anomalous carrier dynamics, and loss mechanisms. We propose a "cause-impact-identify-rectify" approach to gain a comprehensive understanding of the ultrafast processes occurring within the material. Finally, we highlight the importance of advanced spectroscopic and imaging techniques in unraveling these intricate mechanisms. This discussion delves into the future possibilities of fabricating 3D/2D heterostructure-based optoelectronic devices, pushing the boundaries of performance across diverse fields. It envisions the creation of devices with unparalleled capabilities, exceeding the limitations of current technologies.

Progress on Electron Transport Layers for Perovskite Solar Cells

The photovoltaic industry is very interested in designing and developing next-generation device architectures using organic-inorganic perovskite hybrid solar cell materials. In fact, perovskites represent one of the most promising materials for high efficiency, low-cost solar cells. This is most apparent in the power conversion efficiency of perovskite solar cells (PSCs) going from 3.8 to 24.2 % in recent years. One of the primary challenges of developing PSC’s however is the realization of an appropriate electron transport layer. As such, this review focuses on recent developments in the electron transport layer (ETL) of perovskite solar cells. It examines and summarises designs, electron transport layers and perovskite active layers for efficient perovskite solar cells. The performance and stability issues with organic-inorganic halide perovskite solar cells are also discussed with some recommendations for additional research on the ETL and perovskite active layer were offered.

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.

3-Thiophenemalonic Acid Additive Enhanced Performance in Perovskite Solar Cells.

The development of ambient-air-processable organic-inorganic halide perovskite solar cells (OIHPSCs) is a challenge necessary for the transfer of laboratory-scale technology to large-scale and low-cost manufacturing of such devices. Different approaches like additives, antisolvents, composition engineering, and different deposition techniques have been employed to improve the morphology of the perovskite films. Additives that can form Lewis acid-base adducts are known to minimize extrinsic impacts that trigger defects in ambient air. In this work, we used the 3-thiophenemalonic acid (3-TMA) additive, which possesses thiol and carboxyl functional groups, to convert PbI2, PbCl2, and CH3NH3I to CH3NH3PbI3 completely. This strategy is effective in regulating the kinetics of crystallization and improving the crystallinity of the light-absorbing layer under high relative humidity (RH) conditions (30-50%). As a result, the 3-TMA additive increases the yield of the power conversion efficiency (PCE) from 14.9 to 16.5% and its stability under the maximum power point. Finally, we found that the results of this work are highly relevant and provide additional inputs to the ongoing research progress related to additive engineering as one of the efficient strategies to reduce parasitic recombination and enhance the stability of inverted OIHPSCs in ambient environment processing.

Preparation of two-dimensional perovskite layer by solution method for improving stability of FAPbI<sub>3</sub> perovskite solar cells

Organic-inorganic metal halide perovskite solar cells (PSCs) have been widely studied due to their excellent photoelectric conversion performance, but the inherent chemical instability of CH(NH<sub>2</sub>)<sub>2</sub>PbI<sub>3</sub> (FAPbI<sub>3</sub>) hinders its sustainable development. In particular, the surface interface of the membrane has prominent humidity sensitivity due to lower activation energy, the defect of the surface interface has a strong correlation with the film stability, and the treatment result of the defect is one of the key factors to improve the long-term stability. The FAPbI<sub>3</sub> suffers phase transition from black perovskite phase to yellow non-perovskite phase at room temperature, and the moisture will accelerate this phase transition. Interface engineering is one of the common methods to improve the stability of perovskite solar cells. In addition to interface engineering, there is a strategy of stacking a two-dimensional (2D) perovskite layer on the surface for interface passivation. However, most of the preparation methods of 2D perovskite layer have limitations. In this work, the full solution method and post-treatment mode of annealing are adopted, the hybrid perovskite solar cells of vitamin perovskite are successfully fabricated. The FAPbI<sub>3</sub> perovskite surface is uniformly spin-coated with butylamine iodide (BAI) solution, and the formation of 2D perovskite is driven on the surface of FAPbI<sub>3</sub> perovskite. Due to the passivation of surface interface defects by the 2D perovskite layer, the non-radiative recombination of charge carriers is reduced, greatly improving the carrier lifetime. Because of the hydrophobicity of long chain molecules in 2D perovskite, the long-term stability of the device is significantly improved. Consequently, the unencapsulated device containing 2D perovskite layer remains above 80% after operating at room temperature in ambient air with a relative humidity (RH) of 60% for nearly 1000 hours. The 2D perovskite layer can significantly improve the long-term stability of the film without affecting the charge carrier transport performance. This method of improving the stability of the device by constructing 2D perovskite layer is in line with the requirements and development trend of high-quality perovskite solar cells, and is a strategy with great development potential.

Recent Developments in Atomic Layer Deposition of Functional Overlayers in Perovskite Solar Cells.

Over the last decade, research in organic-inorganic lead halide perovskite solar cells (PSCs) has gathered unprecedented momentum, putting the technology on the brink of full-scale commercialization. A wide range of strategies have been implemented for enhancing the power conversion efficiency of devices and modules, as well as improving stability toward high levels of irradiation, temperature, and humidity. Another key element in the path to commercialization is the scalability of device manufacturing, which requires large-scale deposition of conformal layers without compromising the delicate structure of the perovskite film. In this context, atomic layer deposition (ALD) tools excel in depositing high-quality conformal films with precise control of film composition and thickness over large areas at relatively low processing temperatures. In this commentary, we will briefly outline recent progress in PSC technology enabled by ALD tools, focusing on layers deposited above the absorber layer. These interlayers include charge transport layers, passivation layers, buffer layers, and encapsulation techniques. Additionally, we will discuss some of the challenges and potential avenues for research in PSC technology underpinned by ALD tools.

Improving the Conductivity of Amide-Based Small Molecules through Enhanced Molecular Packing and Their Application as Hole Transport Mediators in Perovskite Solar Cells.

Organic-inorganic hybrid halide perovskite solar cells (PSCs) have attracted substantial attention from the photovoltaic research community, with the power conversion efficiency (PCE) already exceeding 26%. Current state-of-the-art devices rely on Spiro-OMeTAD as the hole-transporting material (HTM); however, Spiro-OMeTAD is costly due to its complicated synthesis and expensive product purification, while its low conductivity ultimately limits the achievable device efficiency. In this work, we build upon our recently introduced family of low-cost amide-based small molecules and introduce a molecule (termed TPABT) that results in high conductivity values (∼10-5 S cm-1 upon addition of standard ionic additives), outperforming our previous amide-based material (EDOT-Amide-TPA, ∼10-6 S cm-1) while only costing an estimated $5/g. We ascribe the increased optoelectronic properties to favorable molecular packing, as shown by single-crystal X-ray diffraction, which results in close spacing between the triphenylamine blocks. This, in turn, results in a short hole-hopping distance between molecules and therefore good mobility and conductivity. In addition, TPABT exhibits a higher bandgap and is as a result more transparent in the visible range of the solar spectrum, leading to lower parasitic absorption losses than Spiro-OMeTAD, and has increased moisture stability. We applied the molecule in perovskite solar cells and obtained good efficiency values in the ∼15% range. Our approach shows that engineering better molecular packing may be the key to developing high-efficiency, low-cost HTMs for perovskite solar cells.

Investigation on buried interfacial charge carrier dynamics of the MAPbI3/NiO interface by mismatch strain and termination

Organic-inorganic halide perovskite solar cells (PSCs) have attracted significant attention due to their low cost, simple fabrication process, and rapid improvement in photovoltaic performance. NiO is often considered as a potential hole transport layer (HTL) in these PSCs owing to its wide band gap and deep valence band level. However, uncertainties remain regarding the interfacial charge carrier dynamics at the perovskite/HTL interface induced by the interfacial mismatch strain and terminal configuration. Herein, typical MAPbI3/NiO interfacial terminal configurations (MAI-Ni, MAI-O, PbI-Ni, PbI-O) with strain-configured interfaces were explored by first-principle and device simulation. The results indicate that the binding energy decreases, the carrier transport efficiency increases, and the valence band offset (VBO) decreases as the interfacial atomic configuration of the perovskite surface changes from MAI to PbI. Meanwhile, the compressive strain applied on the perovskite surface also increases the interfacial VBO. The J-V curves and energy band of the PSCs show that the device performance tends to enhance first and then decrease as the positive VBO of the MAPbI3/NiO interface increases. Thus, the strain and termination configuration could modulate the device's photovoltaic performance, which is dependent on the energy band bending caused by the strain and termination configuration. This work provides a valuable understanding of the MAPbI3/NiO interface and contributes new strategies to interface optimization for further improving the photoelectric conversion efficiency of PSCs.

Fluorinated Graphene-Lewis-Base Polymer Composites as a Multifunctional Passivation Layer for High-Performance Perovskite Solar Cells.

Increasing the open-circuit voltage (Voc) stands as a critical strategy for further improving the efficiency of organic-inorganic halide perovskite solar cells (PSCs). Lewis basic polymers, such as polymethyl methacrylate (PMMA), are considered as an effective approach to reduce the nonradiative recombination at the perovskite surface and protect the photoactive layer against moisture. However, the insulating nature of PMMA inherently leads to increased series resistance in PSCs. Here, we propose a multifunctional passivation layer (FG-PMMA) composed of fluorinated graphene (FG) and PMMA, offering high conductivity, a good passivation effect, and excellent hole transportation capabilities. The introduction of FG not only reduces the resistance of the PMMA layer but also improves its hydrophobicity. More importantly, we found that fluoride, which acts as a p-type dopant in graphene, can further reduce the nonradiative recombination centers by forming PbF2 with uncoordinated Pb0 at the perovskite/hole transport layer interface. As a result, the introduction of FG-PMMA significantly enhances the photovoltaic performance, with a record-high open-circuit voltage (Voc) of 1.247 V and an average power conversion efficiency of 22.91%, higher than those of PMMA-based devices (20.75%, 1.210 V), as well as increasing the device's moisture stability, with over 90% of the initial efficiency maintained after 1200 h of aging at room temperature and a relative humidity of 35%.

Strain Engineering Toward High‐Performance Formamidinium‐Based Perovskite Solar Cells

The power conversion efficiency (PCE) of organic–inorganic halide perovskite solar cells (PSCs) has increased rapidly in recent years, with the certified best perovskite single‐junction photovoltaics reaching an astounding PCE of 26%. Formamidine (FA)‐based perovskites possess excellent photovoltaic properties and superior thermal stability, establishing them as one of the most promising perovskite materials for light absorption. However, the issue of the phase instability of black‐phase formamidinium lead iodide (α‐FAPbI3) perovskite has seriously impeded its commercialization process, with the strain found in perovskite films being regarded as a significant factor impacting the stability of PSCs. This article begins by examining the sources of strain and the characterization techniques related to perovskites. Subsequently, it outlines the effects of strain on FA‐based perovskites and presents strategies to modify lattice strain. Finally, the potential for strain engineering in the future is discussed. This review aims to clarify the impact of strain on FA‐based perovskite, determine potential methods of strain engineering to enhance device performance, and ultimately facilitate the commercialization of these materials.

Optimization of Electron Transport Layer‐Free Cs2TiBr6/MASnBr3 Laminated Structure Perovskite Solar Cells by SCAPS‐1D Simulation

Cs2TiBr6 materials have promising applications in organic–inorganic halide perovskite solar cells (PSCs), but their power conversion efficiency (PCE) is low. Herein, based on the matching band structure of MASnBr3 and Cs2TiBr6, a no‐electron transport layer (ETL)‐structured laminated PSC is constructed for numerical simulation using SCAPS‐1D. The results have shown that the ETL‐free structure reduces the potential barrier between the interfaces and improves the performance of the device. MASnBr3 is used to replace the traditional hole transport layer to form a laminated structure, which is more conducive to the built‐in electric field of the device. Through exploring the internal influencing factors and applicable environment, it is found that the device can maintain a good operating level between 230 and 430 K. Finally, the best PCE of 19.63% is achieved in the proposed device structure (FTO/Cs2TiBr6/MASnBr3/Au). This work provides a new approach to achieving lead‐free and efficient laminated PSCs in a wide temperature range of usage environments from −43 to 157 °C.

Synthesizing and characterization of Lead Halide Perovskite Nanocrystals solar cells from reused car batteries

With the rapid increase of efficiency up to 23.7% during the past few years, hybrid organic-inorganic metal halide perovskite solar cells (PSCs) have become a research “hot spot” for many solar cell researchers. The perovskite materials show various advantages due to unique characteristics of perovskite materials, such as high photo-to-electric conversion efficiency, direct band gap, high light absorption coefficient, high charge-carrier mobility and long electron-hole electron transport distance. The low-cost fabrication techniques together with the high efficiency makes PSCs comparable with Si-based solar cells. This paper begins with the discussion of crystal structures of perovskite based on recent research findings. The following part of this paper discussion of synthetic process of lead iodide perovskite materials from lead-acid battery and Harvesting material from the anodes and cathodes of car battery; synthesizing PbI2 from the collected materials and compare with pure Lead iodide to know the absolute by XRD peak, depositing lead iodide perovskite nanocrystals. Efficient flexible PSCs are fabricated onto FTO glass substrate by a two-step coating method under ambient condition. By adjusting the concentration of precursor CH3NH3I (MAI), the morphology and thickness of perovskite layer is effectively tailored, according to SEM analysis and using TiO2 as electron transport layer instead of ZnO and CuI instead of spiro-OMeTAD as hole transport layer.

Defect Passivation Scheme toward High-Performance Halide Perovskite Solar Cells.

Organic-inorganic halide perovskite solar cells (PSCs) have attracted much attention in recent years due to their simple manufacturing process, low cost, and high efficiency. So far, all efficient organic-inorganic halide PSCs are mainly made of polycrystalline perovskite films. There are transmission barriers and high-density defects on the surface, interface, and grain boundary of the films. Among them, the deep-level traps caused by specific charged defects are the main non-radiative recombination centers, which is the most important factor in limiting the photoelectric conversion efficiency of PSCs devices to the Shockley-Queisser (S-Q) theoretical efficiency limit. Therefore, it is imperative to select appropriate passivation materials and passivation strategies to effectively eliminate defects in perovskite films to improve their photovoltaic performance and stability. There are various passivation strategies for different components of PSCs, including interface engineering, additive engineering, antisolvent engineering, dopant engineering, etc. In this review, we summarize a large number of defect passivation work to illustrate the latest progress of different types of passivators in regulating the morphology, grain boundary, grain size, charge recombination, and defect density of states of perovskite films. In addition, we discuss the inherent defects of key materials in carrier transporting layers and the corresponding passivation strategies to further optimize PSCs components. Finally, some perspectives on the opportunities and challenges of PSCs in future development are highlighted.

Implications of Electron Transport Layer and Back Metal Contact Variations in Tin–Lead Perovskite Solar Cells Assessed by Spectroscopic Ellipsometry and External Quantum Efficiency

The structural and optical properties of hybrid organic-inorganic metal halide perovskite solar cells are measured by spectroscopic ellipsometry to reveal an optically distinct interfacial layer among the back contact metal, charge transport, and absorber layers. Understanding how this interfacial layer impacts performance is essential for developing higher performing solar cells. This interfacial layer is modeled by Bruggeman effective medium approximations (EMAs) to contain perovskite, C60, BCP, and metal. External quantum efficiency (EQE) simulations that consider scattering, electronic losses, and the formation of nonparallel interfaces are created with input derived from ellipsometry structural-optical models and compared with experimental EQE to estimate optical losses. This nonplanar interface causes optical losses in short circuit current density (JSC) of up to 1.2 mA cm-2. A study of glass/C60/SnO2/Ag or Cu and glass/C60/BCP/Ag film stacks shows that C60 and BCP mix, but replacing BCP with SnO2 can prevent mixing between the ETLs to prevent contact between C60 and back contact metal and enable the formation of a planar interface between ETLs and back contact metals.

Halide-chalcogenide hetero-structure for efficient and stable perovskite solar cells

Organic-inorganic halide perovskite solar cells (PSCs) have experienced rapid growth in power conversion efficiencies (PCEs), however, their commercialization is limited by their inherent poor long-term stability. Mixed halide and chalcogenide is a good pathway to fabricate highly efficient and stable solar cells. Here, we constructed halide-chalcogenide hetero-structure in PSCs by incorporating Bi2S3 quantum dots (QDs) into 2,2′,7,7′-tetrakis-(N,N-di-4-methoxyphenylamino)-9,9′-spirobifluorene (spiro-OMeTAD). The construction of halide-chalcogenide hetero-structure optimizes the energy level matching between spiro-OMeTAD and perovskite, inhibits the decomposition of α-phase FAPbI3 and the formation of δ-phase FAPbI3, increases the hole mobility of spiro-OMeTAD, reduces the defect density, and passivates the defect states. The solar cells with halide-chalcogenide hetero-structure prepared by 0.5 mg/mL Bi2S3 QDs exhibited the highest PCE of 23.31% at standard air mass 1.5 global with enhanced humidity stability. This work provides a perspective on the introduction of halide-chalcogenide hetero-structure to enhance the stability of PSCs.

The Future of Spirobifluorene‐Based Molecules as Hole‐Transporting Materials for Solar Cells

Organic–inorganic halide perovskite solar cells (PSCs) and organic solar cells (OSCs) attract great attention as alternative renewable photovoltaic technology. The state‐of‐the‐art spiro‐OMeTAD (2,2′,7,7′‐tetrakis‐(N,N‐di‐p‐methoxyphenylamine)‐9,9′‐spirobifluorene) is the most successful hole‐transport material (HTM) employed in PSCs, whereas solution‐processed inverted OSCs generally use poly(3,4‐ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS). Recently, various types of spirobifluorene‐based organic small molecules are reported to overcome the known disadvantages of spiro‐OMeTAD, such as the complex synthetic route, high synthetic cost, and requirement for hygroscopic dopants to improve the charge‐carrier mobility and device performance. Examples of spirobifluorene‐based molecules are also reported as alternative HTMs in inverted OSCs to exceed the drawbacks of PEDOT:PSS, such as acidity and batch‐to‐batch reproducibility. These features significantly limit spiro‐OMeTAD and PEDOT:PSS for large‐scale application in the future. Herein, an overview of recent developments in spirobifluorene organic small molecules as HTM in PSCs and OSCs is provided by focusing on synthetic and electrical features. Finally, the further research directions are discussed to develop novel spirobifluorene‐based HTMs for the realization of reliable and long‐term stable photovoltaic devices.

Surface Passivation of Lead Halide Perovskite Solar Cells by a Bifacial Donor-π-Donor Molecule.

Surface passivation is key to the power conversion efficiency (PCE) of organic-inorganic lead halide perovskite solar cells (PSCs). Herein, we report a novel molecular concept of a C2-symmetric syn-type bifacial donor-π-donor (D-π-D) passivation molecule (a racemic mixture of enantiomers) with hydrophobic phenyls and hydrophilic tetraethylene glycol-substituted phenyls on each face of the indeno-[1,2-b]fluorene π-core. In addition to this bifacial amphiphilic π-core unit, triphenylamine, a well-established passivation donor, effectively passivated the PSC surface, facilitated hole transfer, and increased the maximum PCE from 18.43 to 19.74%. Another notable effect is the removal of remnant PbI2 and the change in the perovskite orientation on the surface by the syn-type molecule. In contrast, the anti-type isomer degraded its long-term stability. We characterized the electrostatic and electronic properties of these molecules and highlighted the advantage of molecular strategy based on a bifacial structure and its stereochemistry.

Parameterization of the apparent chemical inductance of metal halide perovskite solar cells exhibiting constant-phase-element behavior

A better characterization of the rich variety of anomalous ionic-electronic mechanisms in organic-inorganic metal halide perovskite solar cells is essential to obtain a stable and physically robust interpretation of the dynamic responses obtained. Therefore, new approaches towards light intensity-induced effects understanding are intensively searched for. Among all the mechanisms whose elucidation is locked and still under live debate, the apparent inductance phenomena stand out, which are visible not only in photovoltaic devices and optoelectronic elements, but also, for instance, in electrochemical and biological systems. Usually, the negative loops in impedance spectra are modeled through ideal elements (negative capacitance or inductance) although the results show systematic deviations (constant-phase-element behavior). In most scenarios, the influence of chemical inductance dispersion is somehow neglected, that is, ideal conditions are mimicked, omitting the practical device operation. Here we reformulate the theory that captures the slow (non-electromagnetic) inductive effects in the current-voltage curves of perovskite solar cells, deciphering the microscale behavior, consisting essentially of defects associated with deep trap states, from macroscale observations and experimental measurements. The audience is potentially huge, since many authors of multidisciplinary backgrounds are genuinely interested in adequately interpreting this behavior of general character.