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ACS Applied Materials & Interfaces · 2025 · IF 8.2

Orientation-Tuned Piperazinium Derivatives for Efficient and Stable Inverted Perovskite Solar Cells

Guofeng You,Kunpeng Du,Yiran Zheng,Hongkai Chen,Yibo Xu,Weifei Fu,Hongzheng Chen

Interfacial defects remain a major bottleneck to simultaneously achieve high efficiency and long-term stability in inverted perovskite solar cells (PVSCs). While recent studies have highlighted the importance of the orientation of passivators at the perovskite surface, the systematic control and quantification of orientation preference have received far less attention. Here, we present an orientation-tuned molecular design strategy using piperazinium derivatives in which substituent engineering modulates steric hindrance to favor face-on alignment at the perovskite surface. Among the series, N-formylpiperazinium iodide (NFPI) exhibits the strongest face-on preference, enabling dual-site anchoring to undercoordinated Pb2+ and FA+ vacancies. Density functional theory and spectroscopy confirm that NFPI delivers the highest binding energy, reduced trap density, prolonged carrier lifetimes, and enhanced interfacial band bending. Consequently, NFPI-passivated PVSCs achieve a champion power conversion efficiency (PCE) of 25.82% with a high open-circuit voltage of 1.182 V and minimal hysteresis. Moreover, devices retain 90% of the initial PCE after 1500 h of thermal aging at 65 °C (ISOS-D-2), and encapsulated devices reach a T80 of 477 h under continuous operation (ISOS-L-1). This work establishes adsorption orientation control as a key design principle for efficient and durable PVSCs.

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ACS Applied Energy Materials · 2025 · IF 5.5

Solution-Processed High Work Function n-type V2O5–x for Inverted Perovskite Solar Cells with Enhanced Photovoltaic Performance and Reverse Bias Stability

Shengxiang Kang,Yaxuan Liu,Haojie Liang,Min Wang,Xiaohui Liu,Jing Zhang,Kuan Liu,Yuejin Zhu,Like Huang

Recently, with the advantage of a multivalent state, facile, and low-temperature preparation method, vanadium oxide (V2O5-x) has emerged as a potential anode buffer layer for perovskite solar cells (PSCs). Almost all works claim that the prepared V2O5-x is a p-type semiconductor and, therefore, serves as a hole transport layer. In this work, we demonstrate water-soluble V2O5-x exhibiting n-type conductivity, which can still serve as an effective hole collection layer (HCL) in PSCs. Comprehensive characterizations and DFT calculations reveal that V2O5-x is an n-type semiconductor with a high work function (WF). Further coupled with self-assembled monolayer, it can simultaneously optimize the front interface band bending via enhancing the ITO electrode’s WF and reduce interface defect density, thereby facilitating carrier collection and suppressing nonradiative recombination, leading to an inverted PSC with a highest power conversion efficiency of 23.5% and underscoring the importance of strategic interface engineering rather than only relying on a conventional p-type conduction paradigm. Moreover, the device exhibits excellent reverse bias stability. The high-WF n-type V2O5-x HCL pushes the device’s reverse breakdown voltage to reaching |−31.77| V, far beyond that of the conventional NiOx-based device (about |−6| V). This work highlights facile water-soluble V2O5-x-based PSCs that demonstrate a device operating mechanism and high reverse bias stability, which provides a feasible route to achieving efficient and stable PSCs.

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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

In-situ thermally induced fibrous-mesoporous PbBr₂ frameworks for sequential deposited high-performance FAPbBr₃-based solar cells

Runtao Wang,Zhaowei Xu,Rongmei Zhao,Bing Cai,Wen-Hua Zhang

Wide-bandgap FAPbBr₃ perovskite solar cells (PSCs) show great potential due to their high open-circuit voltage, semitransparency, and excellent stability. However, the uncontrollable crystallization kinetics of FAPbBr₃ lead to non-uniform film, insufficient light absorption and interfacial defect accumulation, collectively limiting the device performance. Here, we propose a novel sequential deposition strategy combining precursor engineering and crystallization control to overcome these challenges. The expensive high-purity PbBr₂ in conventional precursors is replaced with low-cost Pb(Ac)₂ and NH₄Br. In-situ thermal decomposition of the precursor generates a three-dimensional fibrous mesoporous PbBr₂ framework, which creates efficient mass transport channels and abundant active sites for subsequent infiltration with formamidinium bromide (FABr) solution. This fibrous architecture enhances reaction homogeneity and reduces unreacted PbBr₂ residue significantly. Furthermore, urea is incorporated into the Pb(Ac)₂/NH₄Br solution system, effectively modulating the perovskite crystallization process and promoting grain growth. Through these synergistic optimizations, the champion devices achieve a remarkable efficiency of 10.77%, representing one of the highest values reported for FAPbBr₃-based PSCs, along with exceptional thermal stability (retaining 97% their champion efficiency after 30 days at 85°C and 10–30% relative humidity without encapsulation). This work presents a novel cost-effective approach to high-performance and stable wide-bandgap PSCs.

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NEW JOURNAL OF CHEMISTRY · 2025 · IF 2.5

Catalytic hydrodechlorination of condensate oil on highly active and stable nickel phosphide catalysts

Qingxiang Zhang,Dengqian Zhang,Zhen Wang,Wei Zhang,Chen Zhang,Dekun Ji,Long Huang

Catalytic hydrodechlorination of condensate oil on supported nickel phosphide catalysts was investigated in this work. The catalysts were prepared by incipient wetness impregnation in the presence or absence of ethylenediaminetetraacetic acid (EDTA) and characterized by X-ray diffraction, N2 adsorption, hydrogen temperature-programmed reduction, transmission electron microscopy, and X-ray photoelectron spectroscopy. Among nickel phosphide catalysts with different Ni/P molar ratios, Ni2P/SiO2 with Ni/P = 2 existed mainly in the Ni12P5 crystalline phase and showed the best hydrodechlorination performance. The addition of EDTA during the preparation of Ni2P/SiO2 significantly improved the dispersion of Ni2P on the catalyst and consequently enhanced its catalytic activity. The reactivities of three corresponding representative organochlorine compounds of the chlorinated aromatics, chlorinated alkanes and chlorinated alkenes, respectively, followed the order of chlorobenzene > tetrachloroethylene > 1,3-dichloropropane, which was in the same order of their adsorption energies on Ni2P/SiO2 calculated by VASP. Ni2P/SiO2-EDTA showed excellent catalytic hydrodechlorination activity and stability for real condensate oil, and the chlorine removal reached 97% under conditions of 300 °C, a LHSV of 3 h−1, a H2/oil ratio of 200, and 3 MPa in a fixed-bed reactor, and the chlorine removal remained at 96.4% after 160 h on stream.

CAS / MDL: 108-90-7 112-40-3
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Journal of Physical Chemistry Letters · 2025 · IF 4.6

Impact of Water Vapor and Oxygen Atmosphere on Carrier Dynamics of CH3NH3PbI3 Perovskites

Jia-Cheng Wang,Wen Zeng,Chuanyao Zhou,Xueming Yang,Zefeng Ren

Organic–inorganic hybrid perovskites have garnered significant attention in the field of photovoltaics due to their exceptional optoelectronic properties. However, their sensitivity to environmental factors, such as water vapor and oxygen, remains a significant challenge to long-term stability, and the mechanisms underlying their interaction with perovskites are still not yet fully understood. This study investigates how water vapor and oxygen influence carrier dynamics in CH3NH3PbI3 perovskite films by employing a combination of high-sensitivity transient absorption spectroscopy (TAS) and time-resolved photoluminescence (TRPL). The results demonstrate that both water vapor and oxygen effectively passivate deep traps, while exhibiting inertness toward shallow traps, thus prolonging carrier lifetimes. Notably, the passivation effect induced by oxygen is nearly fully reversible, in contrast to the partially reversible effect of water vapor. Furthermore, carrier lifetimes increase monotonically with rising water vapor pressure, whereas oxygen passivation is significantly more efficient: as low as 100 ppm or even less oxygen can induce the saturation of oxygen passivation. These insights into the ambient-induced modulation of carrier recombination dynamics provide a critical foundation for developing strategies to enhance the operational stability of perovskite solar cells.

CAS / MDL: 108-90-7 68-12-2
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ACS Nano · 2025 · IF 16

A Top-Down Polymer Collaborative Manufacturing of Perovskite Single Crystal Film Patterns

Hengyu Cao,Lutao Li,Qiankun Li,Weiyu Cheng,Chen Wang,Ruonan Wang,Xiangle Sun,Fengcheng Zhang,Xiawei Zhang,Ming Huang,Lu You,Guifu Zou

Single crystal high-resolution array patterning of halide perovskite films is a crucial step toward unlocking their full potential for various optoelectronic applications. The top-down manufacturing strategies are hindered by the intrinsic fragility and thermal instability of halide perovskites. Herein, we establish an integrated growth-patterning strategy using a polymer with polar functional groups, leveraging the polymer’s steric hindrance effect during crystal growth, thus reducing nucleation density and suppressing crystal growth rate, and simultaneously, improving its mechanical strength and thermal stability by a coordinative polymer protective layer with the film surface. Moreover, the polar functional groups effectively suppress surface defects and enhance the crystalline quality through coordinative interaction. This integrated method can also be used to realize centimeter-sized (∼200 mm2) and high aspect ratio (104) single crystal films growth and patterning in a variety of halide perovskites. The integrated growth-patterning strategy facilitates the commercialization of halide perovskites.

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ACS Applied Energy Materials · 2025 · IF 5.5

SnO2 Modification with Tetrapropylammonium Hydroxide to Enhance Bottom Contact for High-Performance Perovskite Solar Cells

Zhengjie Xu,Qiang Lou,Xuan Lu,Liping Xu,Yufeng Jin,Hang Zhou

The bottom interface in n-i-p structured perovskite solar cells plays a pivotal role in determining both device efficiency and long-term operational stability. Surface modification of colloidal SnO2 nanoparticles at an early stage presents a promising strategy to tailor their structural and electronic characteristics, thereby influencing the crystallization behavior of the subsequently deposited perovskite layer. In this work, we employ tetrapropylammonium hydroxide (TPAOH) to functionalize SnO2 surfaces, effectively passivating the intrinsic defects such as tin interstitials (Sni) and oxygen vacancies (VO). This modification not only optimizes the optoelectronic properties of SnO2 but also refines film morphology. Moreover, the introduction of TPA+ ions contributes to the stabilization of the perovskite bottom interface by passivating iodine interstitials (Ii) and formamidinium vacancies (VFA), thereby mitigating ion migration. As a result, devices employing TPA+-modified SnO2 (denoted as SnO2-TPA) achieve a power conversion efficiency (PCE) of 24.32% when paired with a perovskite film of 1.53 eV bandgap─surpassing the performance of devices using commercial SnO2 (denoted as SnO2-c), which yields a PCE of 22.76%. Notably, flexible perovskite solar cells incorporating SnO2-TPA demonstrate a PCE of 19.60%, representing an approximate 20% improvement over those using SnO2-c. Furthermore, SnO2-TPA-based devices exhibit enhanced stability under various stress conditions, including continuous ultraviolet (395 nm) irradiation for ∼90 h, thermal annealing at 40 °C for 700 h, and ambient humidity (15% relative humidity) for 1200 h.

CAS / MDL: 108-90-7
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LANGMUIR · 2025 · IF 3.9

Dual-Functional Optimization via Cyano-Functionalized Fullerene Reconstruction and Hot-Pressing Treatment for Enhanced Performance of Carbon-Based Perovskite Solar Cells

Wenjun Zhang,Ying Wang,Zhenwu Zhong,Min Liu,Yan Zhang,Zhaoxiang Qi,Ying Qi,Hongyu Mi,Jian Cheng,Shu Yin,Yahong Xie

This study presents a dual-functional interfacial engineering strategy that integrates chemical modification with hot-pressing treatment to significantly enhance the efficiency and stability of carbon-based perovskite solar cells (C-PSCs). Through rational molecular design, a novel fullerene derivative, C60-CN, was synthesized via the Prato reaction by introducing a cyano (−C≡N) functional group and enables simultaneous SnO2 electron transport layer (ETL) reconstruction and perovskite crystallization guidance. Experimental results demonstrate that the incorporation of C60-CN effectively alleviates oxygen vacancies in SnO2 while increasing surface roughness, which improves the contact quality of perovskite films and enhances charge extraction efficiency. Moreover, the hot-pressing process optimizes the interfacial contact characteristics between the perovskite layer and the carbon electrode, promoting the recrystallization of the perovskite material and reducing defect density. As a result of these optimizations, the device achieved a power conversion efficiency (PCE) of 15.78%, representing a 29.34% improvement compared to the original device (from 12.20% to 15.78%). The enhanced stability can be attributed to the suppression of ion migration, the reduction of nonradiative recombination losses, and the improvement of the hydrophobic properties of the perovskite layer. Key mechanisms include Sn–N synergies at the SnO2/C60-CN interface for defect passivation, as well as the recrystallization and densification effects induced by hot-pressing on the perovskite material. These findings highlight the feasibility of fabricating high-performance, low-cost perovskite solar cells at room temperature through the combination of chemical modification and physical treatment strategies.

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JOURNAL OF CHEMICAL PHYSICS · 2023 ·Vol. 158 ·期 13 · IF 4.4

Dual passivation effects of ionic liquids enable efficient and stable perovskite solar cells

Ye Xiaofang,Cai Hongkun,Xu Tie,Ni Jian,Zhang Jianjun

In recent years, perovskite solar cells (PSCs) have been attracting more and more attention. Although perovskite materials have high defect tolerance, defects remain the main factor that seriously affects the efficiency and stability of PSCs. Herein, the ionic liquid of 1-butyl, 3-methylimidazolium acetate ([BMIM][ACO]) was introduced into the SnO2/perovskite interface for the first time. Thanks to the dipoles formed by ILs spontaneously, the work function of SnO2 was reduced and the transport ability of carriers was improved as well. Moreover, the Lewis acidity and lone pair electrons of [BMIM][ACO] contribute to the passivation of I– defects, Pb2+ defects, or Pb-I anti site defects. In addition, the presence of dipoles will repel the approach of photogenerated holes and the reverse transport of electrons, reducing the recombination of defect sites through field-effect passivation. The solar cell with efficiency of 19.43% was obtained under such a dual passivation effect, and the best device maintained 75.21% of the initial efficiency after 80 h of continuous illumination.

CAS / MDL: 108-90-7 67-68-5 68-12-2
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MATERIALS LETTERS · 2023 · IF 3

Synthesis and crystal structure of pyrazine-based one-dimensional perovskite compound

Lili Gao,Ping Hu,Yingzhen Hu,Yingjie Hu,Jing Zhang

Here, the crystal synthesis, crystal structures, optical band gaps and application in devices of (C 4 N 2 H 6 )PbI 3 and (C 4 N 2 H 6 )PbBr 3 are researched and discussed. Novel hybrid 1D perovskite single crystals based on pyrazine were obtained by reacting the organic cation C 4 N 2 H 6 with lead iodide and bromide. The band gaps of (C 4 N 2 H 6 )PbI 3 and (C 4 N 2 H 6 )PbBr 3 compounds are 2.71 and 2.82 eV, respectively, which consistent with the structure distortion. The 1D crystals of (Py)PbI 3 and (Py)PbBr 3 assisted the device efficiency from 20.15% to 22.12 and 22.38%, respectively.

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Journal of Materials Chemistry A · 2023 ·Vol. 11 ·期 17 ·9626-9634 · IF 11.9

Ionic liquid–polymer thermochromic electrolytes with a wide and tunable LCST for application in multi-stimuli-responsive optical modulation

Hao Wu,Mi Wang,Wanbao Wu,De Bai,Yihong Liang,Shunyou Hu,Wen Yu,Peng He,Jiaheng Zhang

Multi-stimuli-responsive devices have attracted much attention in the field of smart windows due to their rich color-adjustable effect and high energy efficiency. However, most multi-stimuli-responsive color-adjustable devices have insufficient stability and complex preparation processes, which impede their industrialization. In this work, thermo- and electro-dual-responsive devices were fabricated by preparing thermochromic ion gel electrolytes and combining them with electrochromic films. Locating thermochromic and electrochromic materials in different functional layers reduces their mutual influence and prevents a decline in their single performances. The thermochromic ion gel electrolytes with a lower critical solution temperature (LCST) phenomenon were obtained from a simple UV-curing method with polyurethane acrylate oligomers and ionic liquids. Compared with traditional LCST hydrogels, the ion gels undergo phase transitions without a volume change, exhibit better thermal and ambient stability, and possess a wide electrochemical window. They can be widely used as electrolytes for various electrochromic materials, resulting in color-changing performance and cycling stability comparable to those of organic solution and ionic liquid electrolytes. The ion gels' LCST effect and the electrochromic layers' color-changing characteristics endow the devices with a dual-responsive feature and improved optical modulation ability. This gives the devices great application potential in smart windows and indoor decorations.

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JOURNAL OF CHROMATOGRAPHY A · 2023 · IF 4.1

In situ growth of imine-based covalent organic framework as stationary phase for high-efficiency electrochromatographic separation

Zhentao Li,Zhengzheng Liao,Jinfang Hu,Zilin Chen

Design of the smart stationary phases, which can improve the separation efficiency is an essential work in the capillary electrochromatography (CEC). Owing to good excellent properties, covalent organic frameworks (COFs) have showed promising potential in the area of separation science . Here, a micro- and mesoporous COF TAPB-BTCA with adequate available interaction sites and outstanding mass transfer performance was first exploited as a stationary phase for high-efficiency in capillary electrochromatography. Through in situ growth approach, the COF TAPB-BTCA coated capillary column was facilely prepared at room temperature . The separation ability of the COF TAPB-BTCA coated capillary column was studied. The fabricated column showed high efficiency for the separation of six types of small molecular compounds, including alkylbenzenes , chlorobenzenes , phenols, parabens , vanillin and related phenolic compounds , and non-steroidal anti-inflammatory drugs (NSAIDs). The maximum theoretical plates reached up to 293,363 N/m for phloroglucinol , showing significantly improved column efficiency in comparison to previous reported COFs-based columns. In addition, the mass loadability for methylbenzene was achieved to 1.44 mg/mL. Also, excellent reproducibility and stability were obtained on the COF TAPB-BTCA coated columns. The relative standard deviations of intra-day ( n  = 3), inter-day ( n  = 3) and three batch tubes were all less than 2%, and no obvious change was presented in separation performance after the column was used 120 runs. This COF TAPB-BTCA-based stationary phase would be a promising candidate for high-efficiency chromatographic separation.

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