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ACS Applied Electronic Materials · 2025 · IF 4.7

Passivation of Iodine Vacancies in Perovskite Photodetectors by Oxygen Functional Groups in the Main and Side Chains of Alcohol Polymers

Qianyuan Li,Haijun Tao,Chuanxiang Zhang,Yankang Liu,Nuoyan Xu,Liang Zhu,Yijia Zhu,Yuqiao Wang

Metal halide perovskites are ideal materials for optoelectronic devices. However, the optoelectronic performance and environmental stability of perovskite photodetectors (PPDs) are significantly affected by defects in perovskites, such as iodine vacancies. In this work, polymers with oxygen functional groups in the main and side chains are employed as the defect passivating agents targeting iodine vacancies in CH3NH3PbI3 (MAPbI3). The oxygen functional groups in the side chains have stronger interactions with MAPbI3 than those of the main chains. This interaction helps to reduce the iodine vacancy, increase recombination resistance, and suppress dark current. Consequently, the responsivity and detectivity of PPDs are enhanced, achieving 0.147 A/W and 1.87 × 1011 Jones, respectively, while also enhancing environmental stability of PPDs. This work provides valuable references for selecting polymer passivation molecules that address defects in perovskite thin films.

研究领域: 材料科学 · 光电技术
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2022 · IF 8.025

Interspersing CdS nanodots into iodine vacancy-rich BiOI sphere for photocatalytic lignin valorization

Dingliang Dai,Jianhao Qiu,Guanglu Xia,Lu Zhang,Hong Ma,Luan Yang,Jianfeng Yao

Flower-like BiOI was decorated by CdS nanodots and followed by the introduction of iodine vacancies (V I ) for photocatalytic sodium lignosulfonate (SLS) valorization under visible light. The iodine vacancies could adjust the band configuration, strengthen the light absorption and act as electron traps, while the intimate contact between BiOI and CdS nanodots provides a high-speed channel for charge transfer. As a consequence, the photocatalytic performance of SLS conversion into value-added vanillin was greatly improved over CdS/BiOI-V I compared with those of CdS, BiOI and CdS/BiOI. The highest yield of vanillin is 10.95 mg/g SLS over CdS/BiOI-V I , about 5, 8.7, 1.3 times those of CdS, BiOI, CdS/BiOI, respectively, and exceeding most related photocatalysts reported elsewhere. More significantly, as to the lignin from Masson pine and alkali lignin, the corresponding vanillin yield can reach 7.04 and 6.54 mg/g lignin , respectively, under the same condition, which suggests the great potential and universality for photocatalytic lignin valorization over such CdS/BiOI-V I heterostructure.

CAS / MDL: 7681-11-0
研究领域: 材料科学 · 环境科学 · 化学工程
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Advanced Optical Materials · 2021 ·Vol. 9 ·期 24 ·2101423 · IF 9.926

Observation of Defect Luminescence in 2D Dion–Jacobson Perovskites

Hao Hu,Yingmeng Liu,Zuoxiang Xie,Zewen Xiao,Guangda Niu,Jiang Tang

The luminescent property of 2D perovskite materials promotes their applications in light emitting diodes, phosphor powders, and scintillators. Recently, an interesting extrinsic low-energy broadband luminescence is hotly investigated. However, the understanding of such emissions is still at the early stage. In this study, based on a modified solvent evaporation method, centimeter-size (BDA)PbI 4 (BDA = NH 3 C 4 H 8 NH 3 2+ ) single crystals are grown which, besides the band–band emission, show a large Stokes-shifted broadband luminescence. We find such emission can be effectively excited by sub-gap photons and conclude defects-induced shallow traps are the corresponding luminescence centers. Density functional theory (DFT) calculations indicate that in-plane iodine vacancies can introduce shallow electron traps in the band gap and give rise to the broadband emission.

研究领域: 材料科学 · 光学
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ACS Applied Materials & Interfaces · 2024 · IF 8.3

Improved Air Stability for High-Performance FACsPbI3 Perovskite Solar Cells via Bonding Engineering

Bo Yu,Zhiwei Xu,Hualin Liu,Yumeng Liu,Kanghua Ye,Zhiquan Ke,Jiankai Zhang,Huangzhong Yu

Despite the fact that perovskite solar cells (PSCs) are widely popular due to their superb power conversion efficiency (PCE), their further applications are still restricted by low stability and high-density defects. Especially, the weak binding and ion–electron properties of perovskite crystals make them susceptible to moisture attack under environmental stress. Herein, we report an overall sulfidation strategy via introduction of 1-pentanethiol (PT) into the perovskite film to inhibit bulk defects and stabilize Pb ions. It has been confirmed that the thiol groups in PT can stabilize uncoordinated Pb ions and passivate iodine vacancy defects by forming strong Pb–S bonds, thus reducing nonradiative recombination. Moreover, the favorable passivation process also optimizes the energy-level arrangement, induces better perovskite crystallization, and enhances the charge extraction in the full solar cells. Consequently, the PT-modified inverted device delivers a champion PCE of 22.46%, which is superior to that of the control device (20.21%). More importantly, the PT-modified device retains 91.5% of its initial PCE after storage in air for 1600 h and over 85% of its initial PCE after heating at 85 °C for 800 h. This work provides a new perspective to simultaneously improve the performance and stability of PSCs to satisfy their commercial applications.

研究领域: 材料科学 · 能源科学
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APPLIED SURFACE SCIENCE · 2023 · IF 6.7

Iodine vacancies enhanced C-Br bond activation and debromination of decabromodiphenyl ether over non-stoichiometric bismuth iodide homojunction

Xueqing Jin,Penglei Xu,Feiyang Zhang,Qi Shen,Chunyan Sun

The activation of carbon-halogen bonds is of great significance to realize the breakdown of halogenated contaminants. Herein, a series of iodine vacancies enriched BiOI 1-x photocatalysts prepared by simple temperature regulation were successfully applied in photocatalytic debromination of decabromodiphenyl ether (BDE209) under irradiation (λ > 360 nm). The obtained BiOI-450℃ composed of Bi 7 O 9 I 3 /Bi 5 O 7 I homojunction with iodine vacancies exhibited the best photocatalytic capacity to debromine BDE209. The removal of the first bromine atom from BDE209 on BiOI-450℃ displayed strong position selectivity that meta-debromination is superior to para -debromination, with essentially no ortho -debromination products formed. The selectivity of meta -debromination on iodine vacancies is as high as 72 %, which is higher than the selectivity on oxygen vacancies and sulfur vacancies. The larger space of iodine vacancy is more conducive to accommodating the bromine atom, therefore stabilizing the meta- bromine atomic adsorption configuration of BDE209 and promoting the C-Br bond activation by O…Br halogen bond with the support of surrounding oxygen atoms. This work will provide a feasible strategy for efficient dehalogenation of halogenated persistent organic pollutants based on halogenated bond activation.

CAS / MDL: 10035-06-0 7681-11-0
研究领域: 环境科学 · 材料科学 · 有机污染物降解
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Solar RRL · 2024 ·Vol. 8 ·期 8 ·2301075 · IF 6

Highly Stable Perovskite Solar Cells with Protective Layers Obtained via Interfacial Modification

Yulin Wang,Hongbing Ran,Yue Zhao,Yu Lu,Xiangjie Chen,Yiwen Tang

Currently, achieving both high efficiency and long-term stability is crucial for the successful application of perovskite solar cells (PSCs). Grain boundary (GB) defects significantly impact the stability of PSCs, and passivating these GBs remains a major challenge. Herein, the surfactant dodecyltrimethylammonium chloride (DTAC) is dissolved in low-polarity chlorobenzene (CB) at 58 °C to modify the interface of MAPbI 3 film, and DTAC reacts with MAPbI 3 film surface to generate a protective layer that can be covered on the perovskite grains, effectively reducing the expose GBs. Additionally, the hydrophobic alkyl chains of DTA + and the strong chemical bond between the Cl − and Pb 2+ ions further enhance the resistance of the perovskite surface layer to heat, moisture, and oxidation. Due to the passivation of iodine vacancy defects, the photo-stability of unencapsulated DTAC devices is significantly improved. By passivating surface and GBs defects of the MAPbI 3 perovskite crystals, the power conversion efficiency of the low-temperature carbon-based PSCs treated by DTAC is 15.03% compared to 13.97% for the control device. This study offers another referable strategy for enhancing the thermal, moisture, light, and oxygen stability of perovskite materials while considering the photovoltaic performance of devices.

CAS / MDL: 108-90-7 112-00-5
研究领域: 材料科学 · 光伏技术 · 界面化学
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Nano Energy · 2025 · IF 17.1

Oxidization strategy of coordinating solvents mitigates composition segregation in perovskite

Xudong Liu,Xuewei Jiao,Song Yin,Nasir Ali,Mingxuan Liu,Bingshun Xu,Shaopeng Yang,Weiguang Kong

The presence of halogen Schottky defects in the lattice structure of metal halide perovskites (MHPs) lowers the activation energy for ion migration. In this study, MAPbI 3 was employed as the perovskite prototype to investigate the source and inhibition mechanisms of halogen-ion-related point defects. Our findings indicate that the spatial separation of MA + -PbI 3 - and/or MAI-PbI 2 induced by the utilization of the pristine coordinating solvents is the main cause for the iodine Schottky defects. By introducing an oxidized coordinating solvent (o-NMP), a rapid in-situ reaction between MAI and PbI 2 can occur with the assistance of a reversible redox reaction in solution. Consequently, an enhanced power conversion efficiency (PCE) is observed, exceeding 22 % for MAPbI 3 -based perovskite solar cells (PSCs) and approaching 24 % for FAMA mixed devices fabricated using a room-temperature blade coating method. Both the efficiency values under the corresponding perovskite systems are among the highest records achieved with similar processing techniques. Moreover, the PSCs exhibit improved stability against sunlight exposure, external electric fields, and moisture infiltration.

研究领域: 材料科学 · 能源技术
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ADVANCED FUNCTIONAL MATERIALS · 2023 ·Vol. 33 ·期 33 ·2302199 · IF 19

Probing into Reverse Bias Dark Current in Perovskite Photodiodes: Critical Role of Surface Defects

Zhao-Yang Yin,Yang Chen,Yang-Yang Zhang,Yu Yuan,Qian Yang,Ya-Nan Zhong,Xu Gao,Jing Xiao,Zhao-Kui Wang,Jian-Long Xu,Sui-Dong Wang

Minimizing reverse bias dark current density ( J dark ) while retaining high external quantum efficiency is crucial for promising applications of perovskite photodiodes, and it remains challenging to elucidate the ultimate origin of J dark . It is demonstrated in this study that the surface defects induced by iodine vacancies are the main cause of J dark in perovskite photodiodes. In a targeted way, the surface defects are thoroughly passivated through a simple treatment with butylamine hydroiodide to form ultrathin 2D perovskite on its 3D bulk. In the passivated perovskite photodiodes, J dark as low as 3.78 × 10 -10 A cm -2 at -0.1 V is achieved, and the photoresponse is also enhanced, especially at low light intensities. A combination of the two improvements realizes high specific detectivity up to 1.46 × 10 12 Jones in the devices. It is clarified that the trap states induced by the surface defects can not only raise the generation-recombination current density associated with the Shockley–Read–Hall mechanisms in the dark (increasing J dark ), but also provide additional carrier recombination paths under light illumination (decreasing photocurrent). The critical role of surface defects on J dark of perovskite photodiodes suggests that making trap-free perovskite thin films, for example, by fine preparation and/or surface engineering, is a top priority for high-performance perovskite photodiodes.

研究领域: 光电子学 · 半导体器件物理 · 材料科学 · 表面工程 · 缺陷化学 · 光电探测器
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Journal of Physical Chemistry Letters · 2025 · IF 4.6

Synergistic Dual-Anchor Passivation at Buried Interfaces Enabling High-Efficiency and Stable Perovskite Solar Cells

Jian Su,Qiwei Liu,Tao Hu,Xianwei Zhang,Nan Sun,Sai Jiang,Ding Gu,Jianhua Qiu,Han Zhang,Ziyao Zhou

The buried interfacial nonradiative recombination and carrier transport losses in perovskite solar cells, particularly caused by oxygen and iodide vacancy defects at the SnO2/perovskite interface, critically limit their efficiency and stability. Herein, we propose a bifunctional passivation strategy using guanidinium phosphate (GAP), which spatially separates phosphate and guanidine groups to synergistically anchor SnO2 and perovskite interfaces. We systematically demonstrate the multifunctional synergistic roles of GAP molecules at the SnO2/perovskite buried interface, where phosphate groups establish robust coordination bonds with the SnO2 surface to passivate oxygen vacancy defects while optimizing interfacial energy level alignment. At the same time, guanidinium cations suppress the formation of iodine vacancies in the perovskite through electrostatic interactions, induce oriented crystallization, and reduce grain boundary defect density. Additionally, GAP is a bridging molecule that fills interfacial voids, enhancing interfacial bonding strength and improving carrier transport efficiency across the interface. Based on this strategy, the champion device achieves a power conversion efficiency of 24.12% with negligible hysteresis. The unencapsulated devices retain more than 90% of their initial efficiency after 2000 h of aging under a 25% relative humidity. This work establishes a novel paradigm for designing multifunctional molecular passivators, advancing perovskite optoelectronics toward high efficiency and operational stability.

研究领域: 材料科学 · 纳米技术 · 光伏器件 · 固体物理 · 化学工程
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APPLIED SURFACE SCIENCE · 2023 · IF 6.7

Origin of the bias instability in CsPbI3 light-emitting diodes

Jingcong Hu,Chenghao Bi,Xuetao Zhang,Bohai Tian,Yue Lu,Jianjun Tian,Manling Sui

With the rapid development of all-inorganic CsPbX 3 (X = I, Br, and Cl) perovskite light-emitting diodes (PeLEDs), their external quantum efficiency (EQE) has made great progress in the last few years. However, severe performance degradation at the operation condition impedes its large-scale industrial application. In this text, by using the advanced spherical aberration corrected transmission electron microscope (TEM), the degradation pathway of PeLEDs under bias loading was more systematically and comprehensively, especially from the viewpoint of its microstructural evolution pathway, which showed that iodine vacancy migration triggered the structural collapse was the primary inducement of performance decay. To solve this problem, inorganic termination ZnI 2 was employed to passivate the surface halide vacancy defects and supplement the halide ion into the lattice, which significantly improves the photoluminescence (PL) lifetime and stability of CsPbI 3 quantum dots (QDs). As expected, not only the EQE of PeLEDs has been greatly improved, but also the operating half-lifetime is enhanced by about 4 times as compared with the original one. Microstructural characterization and density functional (DFT) calculations confirm that the preferential segregation of Zn element on the surface of QDs was the principal cause to passivate the defect state of QDs, which exhibits lower formation energy and better operational stability.

研究领域: 材料科学 · 光子学 · 半导体物理
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JOURNAL OF PHYSICS D-APPLIED PHYSICS · 2019 ·Vol. 53 ·期 7 ·075101 · IF 2.829

Improved air stability and low voltage resistive switching behaviors of NiO-buffered CH3NH3PbI3 films prepared by a solution method

Y Y Wang,L T Li,X Jiang,J B Wang,R L Lai,X Y Qiu

Electric field-induced drift of ions or charged defects in organic–inorganic hybrid perovskite materials generally results in distinct current–voltage hysteresis, opening up a new era in the development of low-cost resistive switching memory and neural synapse devices. Here, a new type of resistive switching memory cell based on NiO-buffered CH3NH3PbI3 films is prepared by a solution method. It exhibits stable and low voltage bipolar resistive switching behaviors: switching voltages lower than  ±0.5 V, an ON/OFF ratio higher than 103, and a reversible current–voltage loop of more than 400 cycles in air ambient. Both 'iodine-vacancy conductive filaments' and the 'interfacial p–n junction effect' are responsible for the improved resistive switching properties. This work establishes the potential for application in low operation voltage organic–inorganic hybrid perovskite resistive switching devices.

研究领域: 材料科学 · 电气工程 · 纳米技术
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