Interface Passivation Research Articles

Superior Intermolecular Noncovalent Interactions Empowered Dopant‐Free Hole Transport Materials for Efficient and Stable Sb2(S,Se)3 Solar Cells

AbstractAntimony selenosulfide (Sb2(S,Se)3) solar cells are critically restrained by the Sb2(S,Se)3/charge transport layer interface with scarce carriers transfer ability and high density of deep‐level defect‐induced traps, which are prone to spark the nonradiative recombination and capture the benign photogenerated carriers. Herein, utilizing the intermolecular noncovalent interactions strategy in molecular stereoscopic structural engineering, two dopant‐free hole transport materials (HTMs) are constructed, coded as T‐BDT and F‐BDT, with synergistic hole selectivity and interfacial healing ability. The theoretical simulation and experimental results decipher that the F‐BDT possesses the more favorable planarized conformation, charge delocalization/coupling and molecular stacking pattern, which endow it with the salient hole selection, robust interface passivation and appropriate energy level alignment. Consequently, the Sb2(S,Se)3 solar cell with F‐BDT as dopant‐free HTM realize an outstanding power conversion efficiency of 9.13%, hitting the record high for Sb2(S,Se)3 devices under dopant‐free conditions.

Efficient Bifacial Semitransparent Perovskite Solar Cells Using Down‐Conversion 2D Perovskite Nanoplatelets–Poly(Methyl Methacrylate) Composite Film

Semitransparent perovskite solar cells (ST‐PSCs) hold significant appeal for various applications in smart windows, multijunction tandem devices, bifacial and chargeable devices, etc. Unfortunately, to possess high transparency, the perovskite layer in the ST‐PSCs must be kept relatively thin (<400 nm), which in turn causes insufficient light absorption and thus inferior device performance. Herein, a 2D perovskite nanoplatelets (NPLs)/poly(methyl methacrylate) (PMMA) composite thin layer is applied in the ST‐PSCs to solve these problems. Thanks to its dual function of down‐conversion (DC) effect, converting high‐energy UV photons into low‐energy visible photons to enhance the photocurrent, and interfacial passivation, reducing the nonradiative recombination at the interface, the 2D NPLs–PMMA‐based devices with the different average visible transmittance (AVT) values of perovskite film demonstrate significantly improved power‐conversion efficiency (PCE) compared to the pristine devices, and remarkable UV stability, retaining over 77% of initial PCE after aging under continuous UV illumination for 280 h. More importantly, the full bifacial ST‐PSCs using a transparent MoO3/Au/MoO3 rear electrode exhibits a record PCE of 14.26% and 10.65% with a whole device AVT of 19.4% and 26.9%, respectively, which are among the highest performing ST‐PSCs of the kind reported to date.

Ultrafast and self-driven flexible photodetector based on vertical MoS2/Si heterojunction through enhanced light-trapping structures and Al2O3 interface passivation

The self-driven flexible photodetector is vitally important for next-generation optoelectronics. Two-dimensional (2D) molybdenum sulfide (MoS2) as a typical family member of transition-metal dichalcogenides (TMDs) has shown larger potential applications in the high-sensitivity photodetection due to its self-physical properties. Herein, the ultrafast MoS2/Si flexible photodetector with ultrathin Al2O3 passivation interface and high light-trapping structures was fabricated. The MoS2/Al2O3/Si flexible photodetector exhibits excellent performance with a high responsivity of 0.047 A/W, detectivity up to 5.67 × 1011 Jones and rise/fall time of 25.6/3.2 μs. Furthermore, this optoelectronic device can withstand bending angles of 120° and work well after 500 bending times. This unique performance can be attributed to the flexible Si substrate with good mechanical properties, high-light trapping structures and an Al2O3 passivation interface. This device can find potential applications in e-skins, flexible displays and smart health care.

Interfacial defects passivation and energy level alignment with small molecule pyridine material for efficient and stable inverted perovskite solar cells

Unavoidable charge defects at the interface are major bottlenecks in improving the performance of inverted perovskite solar cells (PSCs). Interfacial engineering for interfacial defect passivation is a promising approach for minimizing interfacial defects. In this study, the small molecule 2,6-lutidine (2,6-Lu), incorporating [6,6]-phenyl C61-butyric acid methyl ester (PCBM), was established as an electron transport layer (PCBM: 2,6-Lu ETL) to minimize charge defects at the upper interface of the perovskite. After a series of experimental tests, we confirmed that the –N– groups in 2,6-Lu could immobilize uncoordinated Pb2+ to passivate charge defects. Furthermore, the designed ETL induced a favorable energy level between the perovskite and ETL layers, boosting charge transfer and reducing charge recombination. Therefore, the inverted PSCs with the designed ETL exhibited a remarkable power conversion efficiency of 19.93 % with an outstanding long-term ambient stability of 30 d, which was ascribed to interfacial defect passivation and suitable energy level alignment.

All‐Inorganic Perovskite Solar Cells: Modification Strategies and Challenges

Cesium‐based all‐inorganic wide‐bandgap perovskite solar cells (AIWPSCs) have been demonstrated with exceptional optoelectronic properties such as intrinsic optical wide‐bandgap and high thermal stability, which make them suitable candidates for the front sub‐cells of tandem solar cells (TSCs). Passivation of perovskite surface and interface is a matter of common interest in this community since all‐inorganic perovskites always suffer from non‐ideal crystallization such as phase impurity, high defect density, and non‐uniform morphology. Despite these shortcomings, numerous efforts have been devoted in recent years to pursuing high‐performance AIWPSCs, which exhibit an abruptly increased power conversion efficiency (PCE) from 2.9% to over 21.0%. In view of not having a thorough summary about the advancements on AIWPSCs, herein, a comprehensive review is given to highlight the recent device performance progress of AIWPSC, particularly focusing on the strategies to passivate the defects of all‐inorganic perovskite, namely, additive engineering, solvent engineering, interface modification, and the exploration of new charge transport materials (CTMs) for improving the phase stability and PCE of AIWPSCs. Finally, a conclusive outlook on AIWPSCs will be given to provide our perspectives aiming to inspire the further development of AIWPSCs.

Simultaneous Interfacial Defect Passivation and Bottom-Up Excess PbI2 Management via Rubidium Chloride in Highly Efficient Perovskite Solar Cells with Suppressed Hysteresis.

In halide perovskite solar cells (PSCs), moderate lead iodide (PbI2) can enhance device efficiency by providing some passivation effects, but extremely active PbI2 leads to the current density-voltage hysteresis effect and device instability. In addition, defects distributed on the buried interface of tin oxide (SnO2)/perovskite will lead to the photogenerated carrier recombination. Here, rubidium chloride (RbCl) is introduced at the buried SnO2/perovskite interface, which not only acts as an interfacial passivator to interact with the uncoordinated tin ions (Sn4+) and fill the oxygen vacancy on the SnO2 surface but also converts PbI2 into an inactive (PbI2)2RbCl compound to stabilize the perovskite phase via a bottom-up evolution effect. These synergistic effects deliver a champion PCE of 22.13% with suppressed hysteresis for the W RbCl PSCs, in combination with enhanced environmental and thermal stability. This work demonstrates that the interfacial defect passivation and bottom-up excess PbI2 management using RbCl modifiers are promising strategies to address the outstanding challenges associated with PSCs.

Plasma etching-Induced surface modification and interfacial defect passivation for antimony triselenide thin film solar cells

Sb2Se3 is a promising photovoltaic absorber material due to its high optical absorption coefficient, suitable band gap, and earth-abundant constituent elements. However, the performance of Sb2Se3-based solar cells faces limitations stemming from the suboptimal quality of the Sb2Se3/CdS heterojunction, which suffers from high interfacial recombination loss and low carrier collection efficiency. To address this issue, we employ plasma etching as a simple and effective method to modify the surface of Sb2Se3 thin films, which are prepared using sputtering and post-selenization processes. Our investigation reveals that plasma etching not only increases the surface roughness of Sb2Se3 but also diminishes the presence of the detrimental Sb2O3 impurity phase, leading to improved device performance. As a result, the plasma etched Sb2Se3 devices exhibit improved fill factor and current density and achieve a maximum efficiency of 7.88 %. This study underscores the critical role of surface engineering in enhancing Sb2Se3 solar cells performance and offers a convenient and scalable approach for enhancing the interface quality of such devices.

The Development of Carbon/Silicon Heterojunction Solar Cells through Interface Passivation.

Passivating contactsin heterojunction (HJ) solar cells have shown great potential in reducing recombination losses, and thereby achieving high power conversion efficiencies in photovoltaic devices. In this direction, carbon nanomaterials have emerged as a promising option for carbon/silicon (C/Si) HJsolar cells due to their tunable band structure, wide spectral absorption, high carrier mobility, and properties such as multiple exciton generation. However, the current limitations in efficiency and active area have hindered the industrialization of these devices. In this review, they examine the progress made in overcoming these constraints and discuss the prospect of achieving high power conversion efficiency (PCE) C/Si HJ devices. A C/Si HJ solar cell is also designed by introducing an innovative interface passivation strategy to further boost the PCE and accelerate the large area preparationof C/Si devices. The physical principle, device design scheme, and performanceoptimization approaches of this passivated C/Si HJ cells are discussed. Additionally, they outline potential future pathways and directions for C/Si HJ devices, including a reduction in their cost to manufacture and their incorporation intotandem solar cells. As such, this review aims to facilitate a deeperunderstanding of C/Si HJ solar cells and provide guidance for their further development.

EEG-based hierarchical classification of level of demand and modality of auditory and visual sensory processing

Objective. To date, most research on electroencephalography (EEG)-based mental workload detection for passive brain-computer interface (pBCI) applications has focused on identifying the overall level of cognitive resources required, such as whether the workload is high or low. We propose, however, that being able to determine the specific type of cognitive resources being used, such as visual or auditory, would also be useful. This would enable the pBCI to take more appropriate action to reduce the overall level of cognitive demand on the user. For example, if a high level of workload was detected and it is determined that the user is primarily engaged in visual information processing, then the pBCI could cause some information to be presented aurally instead. In our previous work we showed that EEG could be used to differentiate visual from auditory processing tasks when the level of processing is high, but the two modalities could not be distinguished when the level of cognitive processing demand was very low. The current study aims to build on this work and move toward the overall objective of developing a pBCI that is capable of predicting both the level and the type of cognitive resources being used. Approach. Fifteen individuals undertook carefully designed visual and auditory tasks while their EEG data was being recorded. In this study, we incorporated a more diverse range of sensory processing conditions including not only single-modality conditions (i.e. those requiring one of either visual or auditory processing) as in our previous study, but also dual-modality conditions (i.e. those requiring both visual and auditory processing) and no-task/baseline conditions (i.e. when the individual is not engaged in either visual or auditory processing). Main results. Using regularized linear discriminant analysis within a hierarchical classification algorithm, the overall cognitive demand was predicted with an accuracy of more than 86%, while the presence or absence of visual and auditory sensory processing were each predicted with an accuracy of approximately 70%. Significance. The findings support the feasibility of establishing a pBCI that can determine both the level and type of attentional resources required by the user at any given moment. This pBCI could assist in enhancing safety in hazardous jobs by triggering the most effective and efficient adaptation strategies when high workload conditions are detected.

Simultaneous Passivation of Perovskite Interfaces at Multiple Active Sites Improves Device Performance: Combining Theory and Experiment.

A multisite interface passivation material named 2-mercapto-4-methyl-5-thiazoleacetic acid (MMTA) is used to optimize the perovskite film top interface. DFT calculations and experiments show that MMTA can effectively passivate interface defects. Finally, the champion device's photoelectric conversion efficiency reached 23.44%, which possessed long-term stability.

Low-temperature Ta-doped TiOx electron-selective contacts for high-performance silicon solar cells

Carrier-selective contacts have been widely used to reduce the recombination losses of the minority carriers and boost the transport of the majority carriers at the contact regions for high-performance crystalline silicon solar cells. In this paper, the electron-selective Ta-doped TiOx (TTO) thin films with wide bandgap were prepared by means of low-temperature atomic layer deposition (ALD) technique. The systematic examinations were conducted on the interfacial structures, elemental analysis, passivation, and electrical performance of the TTO films. The results demonstrated that ALD TTO thin films possess better surface passivation (τeff = 355.31 μs, 130 °C annealing), and excellent electrical performance (ρc = 0.7 mΩ cm2, 200 °C annealing) on c-Si, in comparison to pure TiOx and TaOx films. Benefiting from these advantages, the optimized TTO based electron-selective contact solar cell achieved a high power conversion efficiency (PCE) of 21.58 %, reaching the cutting-edge level of the wide bandgap oxide based electron-selective contact solar cells. The low-temperature, low-energy-consumption and simple ALD TTO electron-selective contacts present a promising approach for Si-based high-efficiency solar cells.

Introduction of SnS2 to Regulate the Ferrous Disulfide Phase Evolution for the Construction of Triphasic Heterostructures Enabling Kinetically Accelerated and Durable Sodium Storage

AbstractTransition metal sulfides (TMSs) still confront the challenges of capacity fading and inferior fast‐charging capability for sodium storage. The rational design of heterostructures enables a new approach to conquer these drawbacks. In this work, a hierarchical structure consisting of SnS2 nanosheets and FeS2 microrods with triphasic heterostructures is proposed by the facile secondary growth and sulfidation process. The introduction of tin sources regulates the proportion of pyrite and marcasite phases, thereby achieving the triphasic heterostructures comprising pyrite, marcasite FeS2, and SnS2. When served as anode material for sodium‐ion batteries, the optimized sample exhibits a high reversible capacity (901 mAh g−1) and durable cycling performances (827 mAh g−1 after 200 cycles at 1 A g−1 and 742 mAh g−1 after 700 cycles at 5 A g−1). Paring with the commercial Na3V2(PO3)3 cathodes, the full‐cell also delivers extraordinary cyclic stability with a high capacity of 618 mAh g−1 (based on the weight of anode material) after 200 cycles at 1 A g−1 (98.7% capacity retention). The hierarchical structure with adjustably triphasic heterogeneous interfaces alleviates the volumetric expansion and interfacial passivation of active material, while modulating the energy band structure and inducing the build‐in electric fields to boost Na+/electrons transport rate.

Interface passivation with Ti3C2Tx-MXene doped PMMA film for highly efficient and stable inverted perovskite solar cells

PMMA:MXene passivates a perovskite/ETL interface boosting performance and stability. Less interfacial defects increase the charge lifetime resulting in a higher density of photo-generated carriers.

Effect of the Hammett substituent constant of para-substituted benzoic acid on the perovskite/SnO2 interface passivation in perovskite solar cells.

It is critical to design bifunctional passivation molecules to simultaneously passivate the charge transport layer and perovskite layer at the charge transport layer/perovskite interface in perovskite solar cells (PSCs). In this study, we investigate the effect of para-substituted benzoic acid with different Hammett constants (σ) on the photovoltaic performance of PSCs. Two passivation molecules 4-aminomethylbenzoic acid (4-AMBA) and 4-sulfamoylbenzoic acid (4-SABA) are used to passivate the SnO2 surface with carboxylic acid and the perovskite with para-substituent electron-donating -CH2NH2 (σ = ca. -0.02) and electron-withdrawing -SO2NH2 (σ = ca. +0.60). Compared with non-passivated PSC, the passivation improves the power conversion efficiency (PCE) mainly due to the increased open-circuit voltage (VOC) and fill factor (FF), where the -SO2NH2 substituent is better in improving the photovoltaic performance than the -CH2NH2 one. The trap density is more reduced and the charge extraction ability is more improved by 4-SABA than by 4-AMBA, which indicates that the weak electron-withdrawing nature of a para-substituent such as -SO2NH2 is better for the passivation of the bottom perovskite than a weak electron-donating -CH2NH2 substituent. Consequently, the passivation with 4-SABA enhances the PCE from 22.27% to 23.64%, along with improved long-term stability. This work highlights for the first time the role of the Hammett constant in the surface passivation of PSCs.

Dual functionality of charge extraction and interface passivation by self-assembled monolayers in perovskite solar cells

This review overviews the challenges at the buried interface of PSCs, defect passivation capabilities of SAMs, and its effectiveness compared to other passivating agents.

Ionization of hole-transporting materials as a method for improving the photovoltaic performance of perovskite solar cells

We present ionization as a novel method for improving perovskite solar cells performance. The ionic HTMs give higher efficiency than the non-ionic derivative due to improved interfacial properties, defect passivation, and ideal surface topographies.

Synergistic dual-layer passivation boosts efficiency and stability in perovskite solar cells using naphthol sulfonate.

The performance and stability of perovskite solar cells (PSCs) are critically influenced by the interfacial properties between the perovskite absorption layer and the electron transport layer (ETL). This study introduces a novel interfacial engineering approach using dipotassium 7-hydroxynaphthalene-1,3-disulfonate (K-NDS) as a multifunctional passivator to enhance both the SnO2 ETL and the perovskite absorber layer. The sulfonic acid groups (-SO3-) in K-NDS effectively fill oxygen vacancies on the SnO2 surface, while the hydroxyl groups (-OH) passivate dangling bonds, improving the crystallinity of the perovskite film. Additionally, the diffusion of K+ from the SnO2 ETL into the perovskite layer optimizes energy level alignment, thereby enhancing charge carrier extraction and transport. This bifacial passivation strategy has significantly improved both the power conversion efficiency (PCE) and long-term stability of PSCs. The modified devices achieved a champion PCE of 23.00% and an open-circuit voltage (VOC) of 1.172 V. Furthermore, these devices maintained 75% of their initial PCE even after 1000 hours of storage under indoor environmental conditions. This work demonstrates the effectiveness of synergistic interfacial passivation in advancing the performance and durability of PSCs.

Rational molecular design of multifunctional self-assembled monolayers for efficient hole selection and buried interface passivation in inverted perovskite solar cells.

Self-assembled monolayers (SAMs) have been widely employed as the bottom-contact hole-selective layer (HSL) in inverted perovskite solar cells (PSCs). Besides manipulating the electrical properties, molecularly engineering the SAM provides an opportunity to modulate the perovskite buried interface. Here, we successfully introduced Lewis-basic oxygen and sulfur heteroatoms through rational molecular design of asymmetric SAMs to obtain two novel multifunctional SAMs, CbzBF and CbzBT. Detailed characterization of single-crystal structures and device interfaces shows that enhanced packing, more effective ITO work function adjustment, and buried interface passivation were successfully achieved. Consequently, the champion PSC employing CbzBT showed an excellent power conversion efficiency (PCE) of 24.0% with a high fill factor of 84.41% and improved stability. This work demonstrates the feasibility of introducing defect-passivating heterocyclic groups into SAM molecules to help passivate the interfacial defects in PSCs. The insights gained from this molecular design strategy will accelerate the development of new multifunctional SAM HSLs for efficient PSCs.

Interface passivation strategies for high-performance perovskite solar cells using two-dimensional perovskites

A review of recent advancements in interface passivation strategies, with a particular focus on the implementation of 2D/3D perovskite passivation across buried interfaces, grain boundaries, and top interfaces.

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.