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In-situ fabricated anisotropic halide perovskite nanocrystals in polyvinylalcohol nanofibers: Shape tuning and polarized emission

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Nano Research 2019年第6期12卷 1411-1416页

作者： Linghai Meng Changgang Yang Jingjia Meng Yongzhi Wang Yong Ge Ziqiang Shao Guofeng Zhang Andrey L.Rogach Haizheng Zhong Beijing Key Laboratory of Nanophotonics and Ultrafine Optoelectronic Systems School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Beijing Engineering Research Center of Cellulose and Its Derivatives School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing H 100081China State Key Laboratory of Quantum Optics and Quantum Optics Devices Institute of Laser SpectroscopyShanxi UniversityTaiyuan 030006China Department of Materials Science and Engineering and Centre for Functional Photonics (CFP)City University of Hong KongHong Kong 999077China

We report an in-situ fabrication of halide perovskite (CH3NH3PbX3,CH3NH3 =methylammonium,MA,X =Cl,Br,I) nanocrystals in polyvinylalcohol (PVA) nanofibers (MAPbX3@PVA nanofibers) through electrospinning a perovskite precursor *** the content of the precursors increased,the resulting MAPbBr3 nanocrystals in PVA matrix changed the shape from ellipsoidal to pearl-like,and finely into *** MAPbBr3@PVA nanofibers show strong polarized emission with the photoluminescence quantum yield of up to 72%.We reveal correlations between the shape of in-situ fabricated perovskite nanocrystals and the polarization degree of their emission by comparing experimental data from the single nanofiber measurements with theoretical *** emission of MAPbBr3@PVA nanofibers can be attributed to the dielectric confinement and quantum confinement ***,nanofibers can be efficiently aligned by using parallel positioned conductor strips with an air gap as collector.A polarization ratio of 0.42 was achieved for the films of well-aligned MAPbBr3@PVA nanofibers with a macroscale size of 0.5 cm × 2 cm,which allows potential applications in displays,lasers,waveguides,etc.

关键词： lead halide perovskite nanofibers electrospinning anisotropy polarized emission

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halide Homogenization for High-Performance Blue Perovskite Electroluminescence

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Research 2020年第1期2020卷 1688-1697页

作者： Lu Cheng Chang Yi Yunfang Tong Lin Zhu Gunnar Kusch Xiaoyu Wang Xinjiang Wang Tao Jiang Hao Zhang Ju Zhang Chen Xue Hong Chen Wenjie Xu Dawei Liu Rachel AOliver Richard HFriend Lijun Zhang Nana Wang Wei Huang Jianpu Wang Key Laboratory of Flexible Electronics(KLOFE)&Institute of Advanced Materials(IAM) Nanjing Tech University(NanjingTech)30 South Puzhu RoadNanjing 211816China Department of Materials Science and Metallurgy University of Cambridge27 Charles Babbage RoadCambridge CB30FSUK State Key Laboratory of Integrated Optoelectronics Key Laboratory of Automobile Materials of MOE and College of MaterialsScience and EngineeringJilin UniversityChangchun 130012China Frontiers Science Center for Flexible Electronics(FSCFE)&Shaanxi Institute of Flexible Electronics(SIFE) Northwestern Polytechnical University(NPU)127 West Youyi RoadXi’an 710072China Cavendish Laboratory University of CambridgeJJ Thomson AvenueCambridge CB30HEUK

Metal halide perovskite light-emitting diodes(LEDs)have achieved great progress in recent ***,bright and spectrally stable blue perovskite LED remains a significant ***-dimensional mixed-halide perovskites have potential to achieve high brightness electroluminescence,but their emission spectra are unstable as a result of halide phase ***,we reveal that there is already heterogeneous distribution of halides in the as-deposited perovskite films,which can trace back to the nonuniform mixture of halides in the *** simply introducing cationic surfactants to improve the homogeneity of the halides in the precursor solution,we can overcome the phase segregation issue and obtain spectrally stable single-phase blueemitting *** demonstrate efficient blue perovskite LEDs with high brightness,e.g.,luminous efficacy of 4.7,2.9,and 0.4 lmW^(-1) and luminance of over 37,000,9,300,and 1,300 cdm^(-2) for sky blue,blue,and deep blue with Commission Internationale de l’Eclairage(CIE)coordinates of(0.068,0.268),(0.091,0.165),and(0.129,0.061),respectively,suggesting real promise of perovskites for LED applications.

关键词： perovskite luminous halide

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The rise of halide perovskite semiconductors

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Light(Science & Applications) 2023年第1期12卷 23-24页

作者： Chenlu He Xiaogang Liu Department of Chemistry National University of SingaporeSingapore 117549Singapore

Advances in metal-halide perovskite semiconductors have significantly influenced light-current conversion *** excellent structural and compositional tunability of perovskites,coupled with their exceptional quantum yie... 详细信息

关键词： perovskite halide semiconductors

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Triangular Halogen Bond and Hydrogen Bond Supramolecular Complex Consisting of Carbon Tetrabromide, halide, and Solvent Molecule： A Theoretical and Spectroscopic Study

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Chinese Journal of Chemical Physics 2014年第3期27卷 265-273页

作者： Yu-jie Wu Xiao-ran Zhao Hai-yue Gao Wei-jun Jin College of Chemistry Beijing Normal University Beijing 100875 China

The theoretical calculation and spectroscopic experiments indicate a kind of triangular three bonding supramolecular complexes CBr4…X^-…-H-C, which consist of carbon tetrabromide, halide, and protic solvent molecule （referring to dichloromethane, chloroform and acetonitrile）, can be formed in solution. The strength of halogen and hydrogen bonds in the triangular complexes using halide as common acceptor obeys the order of iodide〉bromide〉chloride. The halogen and hydrogen bonds work weak-cooperatively. Charge transfer bands of halogen bonding complexes between CBra and halide are observed in UV-Vis absorption spectroscopy in three solvents, and then the stoichiometry of 1：1, formation constants K and molar extinction coefficients ε of the halogen bonding complexes are obtained by Benesi-Hildebrand method. The K and ε show a dependence on the solvent dielectric constant and, on the whole, obey an order of iodide〉bromide〉chloride in the same solvents. Furthermore, the C-H vibrational frequencies of solvent molecules vary obviously with the addition of halide, which indicates the C-H…X- interaction. The experimental data indicate that the halogen bond and hydrogen bond coexist by sharing a common halide acceptor as predicted by calculation.

关键词： Halogen bond Hydrogen bond halide Carbon tetrabromide Charge transfer

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Metal halide perovskite photodetectors: Material features and device engineering

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Chinese Physics B 2019年第1期28卷 143-165页

作者： Ye Wang Meng-Lei Gao Jin-Liang Wu Xing-Wang Zhang Key Lab of Semiconductor Materials Science Institute of SemiconductorsChinese Academy of SciencesBeijing 100083China College of Materials Science and Opto-Electronic Technology University of Chinese Academy of SciencesBeijing 100049China

In recent years, the rapid progress of metal halide perovskite solar cells has been witnessed by the rocketing power conversion efficiency. In addition, perovskites have opened up a great opportunity for high performance photodetectors(PDs), due to their attractive optical and electrical properties. This review summarizes the latest progress of perovskitebased PDs, aiming to give a comprehensive understanding of the material design and device engineering in perovskite *** begin with, the performance parameters and device configurations of perovskite PDs are introduced, which are the basis for the next discussion. Next, various PDs based on perovskites in different morphologies are discussed from two aspects:the preparation method, and device performance. Then, several device engineering strategies to enhance the performance of perovskite-based PDs are highlighted, followed by the introduction of flexible and narrow-band perovskite PDs. Finally,key issues and major challenges of perovskite PDs that need to be addressed in the future are outlined.

关键词： metal halide perovskite photodetectors responsivity solution process

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Suppression of methane/air explosion by water mist with potassium halide additives driven by CO2

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Chinese Journal of Chemical Engineering 2019年第11期27卷 2742-2748页

作者： Wei Tan Dong Lü Liyan Liu Guorui Zhu Nan Jiang School of Chemical Engineering and Technology Tianjin UniversityTianjin 300354China Tianjin Fire Research Institute of MEM Tianjin 300381China

To enhance the explosion suppression effects of water mist, various potassium halide additives were tested in a confined vessel filled with a 10% mixture of methane/air. Air and CO2(0.7 MPa) were used as driver gases. The results revealed that halide additives exhibit considerable suppression effects on explosion overpressure. A30% KI mist decreased the explosion overpressure by 27.46% compared with the suppression by pure water mist under the same conditions. When CO2 is used as the driver gas, it will dissolve in water under high *** synergistic effect of a CO2 solution with an effective additive afforded significant suppression. Under the same conditions, the overpressures suppressed by a mist of 30% KI + 0.7 MPa CO2 solution decreased by 33.53% compared with those suppressed by pure water mist driven by air. The synergistic suppression effect is much better than that of a 0.7 MPa CO2 solution mist or 30% KI mist alone. The multicomponent additives can be considered when suppressing methane/air explosions with pressure-formed water mist.

关键词： Methane Explosion suppression Water mist halide CO2

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Improving the stability of metal halide perovskite solar cells from material to structure

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Journal of Energy Chemistry 2019年第6期28卷 90-99页

作者： Kui Qin Binghai Dong Shimin Wang Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials. Hubei University Wuhan 430062HubeiChina Key Laboratory for the Green Preparation and Application of Functional Materials Ministry of EducationFaculty of Materials Science and EngineeringHubei UniversityWuhan 430062HubeiChina

Metal halide perovskites(MHPs) are promising photovoltaic(PV) materials owing to their advantages such as high carrier mobility, excellent absorption coefficient, bandgap tenability, long diffusion length,and low material cost. These qualities have increased the efficiency of MHP solar cells to 23.3%. However,MHPs are hindered by a lack of stability. In addition, the applications of MHP solar cells are restricted by the instability of perovskite materials and devices. In this article, the most urgent stability problems faced by perovskite solar cells are identified, and recent progresses in MHPs are enumerated. The factors affecting the stability of perovskite materials and devices are also discussed. We analyzed the thermal and humid stability of perovskite materials in terms of transporting materials and their interface. In view of these recent advances, future works should focus on the large-scale application of MHP solar cells.

关键词： Perovskite solar cells Metal halide Stability Moisture Degradation

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Tribocorrosion behavior of nickel-aluminium bronze sliding against alumina under the lubrication by seawater with different halide concentrations

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Friction 2019年第5期7卷 444-456页

作者： Beibei ZHANG Jianzhang WANG Junya YUAN Fengyuan YAN State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou730000China University of Chinese Academy of Sciences Beijing100049China

The tribocorrosion failure mechanism of nickel-aluminium bronze(NAB) in different halide concentrations of seawater was studied using a pin-on-disc tribometer that was modified to conduct in-situ electrochemical detection during the sliding process. It has been reported that high-halide-concentration seawater provided a good lubricating effect, and thus reduced the coefficient of friction and wear rate of NAB during the tribocorrosion process. However, the existence of halide ions corroded the passive film and hindered the repassivation of the damaged areas in the wear track, resulting in an increased corrosion rate. In addition, the morphology of the wear scar revealed the occurrence of abrasive, delamination, and adhesive wear of NAB in seawater. For the whole range of halide concentration values, a positive synergy between wear and corrosion was proven, and the quantification of this synergy was discussed in detail. The results show that the corrosionwear synergism was decreased with increasing halide concentration in seawater, and the corrosion-induced wear was dominant in the two synergistic components.

关键词： tribocorrosion halide ions friction wear

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Electrode-induced impurities in tin halide perovskite solar cell material CsSnBr_(3) from first principles

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npj Computational Materials 2021年第1期7卷 555-563页

作者： Yuhang Liang Xiangyuan Cui Feng Li Catherine Stampfl Simon P.Ringer Rongkun Zheng School of Physics The University of SydneyNew South Wales 2006Australia School of Aerospace Mechanical and Mechatronic EngineeringThe University of SydneyNew South Wales 2006Australia

All-inorganic lead-free CsSnBr_(3)is attractive for applications in solar cells due to its nontoxicity and stability,but the device performance to date has been *** the intrinsic properties,impurities induced from electrodes may significantly influence the device ***,we systematically studied the stability,transition energy levels,and diffusion of impurities from the most commonly used electrodes(Au,Ag,Cu,graphite,and graphene)in CsSnBr_(3)based on density functional theory *** results reveal that,whereas graphite and graphene electrodes exhibit negligible influence on CsSnBr_(3)due to the relatively high formation energies for carbon impurities in CsSnBr_(3),atoms from the metal electrodes can effectively diffuse into CsSnBr_(3)along interstice and form electrically active impurities in CsSnBr_(3).In this case,a significant amount of donor interstitial impurities,such as Agti,Cuti,and Auti,will be formed under p-type conditions,whereas the Sn-site substitutional acceptor impurities,namely Au_(Sn)^(2-),Ag_(Sn)^(2-),and Cu_(Sn)^(2-),are the dominant impurities,especially under n-type *** particular,except for Auti,all these major impurities from the metal electrodes act as nonradiative recombination centers in CsSnBr_(3)and significantly degrade the device *** work highlights the distinct behaviors of the electrode impurities in CsSnBr_(3)and their influence on the related devices and provides valuable information for identifying suitable electrodes for optoelectronic applications.

关键词： stability perovskite halide

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Topological feature engineering for machine learning based halide perovskite materials design

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npj Computational Materials 2022年第1期8卷 1943-1950页

作者： D.Vijay Anand Qiang Xu JunJie Wee Kelin Xia Tze Chien Sum Division of Mathematical Sciences School of Physical and Mathematical SciencesNanyang Technological UniversitySingapore637371Singapore Division of Physics&Applied Physics School of Physical and Mathematical SciencesNanyang Technological UniversitySingapore637371Singapore

Accelerated materials development with machine learning(ML)assisted screening and high throughput experimentation for new photovoltaic materials holds the key to addressing our grand energy ***-driven ML is envisaged as a decisive enabler for new perovskite materials ***,its full potential can be severely curtailed by poorly represented molecular descriptors(or fingerprints).Optimal descriptors are essential for establishing effective mathematical representations of quantitative structure-property *** we reveal that our persistent functions(PFs)based learning models offer significant accuracy advantages over traditional descriptor based models in organic-inorganic halide perovskite(OIHP)materials design and have similar performance as deep learning *** multiscale simplicial complex approach not only provides a more precise representation for OIHP structures and underlying interactions,but also has better transferability to ML *** results demonstrate that advanced geometrical and topological invariants are highly efficient feature engineering approaches that can markedly improve the performance of learning models for molecular data ***,new structure-property relationships can be established between our invariants and *** anticipate that our molecular representations and featurization models will transcend the limitations of conventional approaches and lead to breakthroughs in perovskite materials design and discovery.

关键词： perovskite halide invariants

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