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结构化学 2024年第6期43卷 28-33页

作者： Xiao-Tong Sun Hao-Fei Ni Yi Zhang da-wei fu Ordered Matter Science Research Center Jiangsu Key Laboratory for Science and Applications of Molecular FerroelectricsSoutheast UniversityNanjing211189People's Republic of China Institute for Science and Applications of Molecular Ferroelectrics Key Laboratory of the Ministry of Education for Advanced Catalysis MaterialsZhejiang Normal UniversityJinhua321004People's Republic of China

Materials exhibiting dielectric switching response and photoluminescence(PL)are promising for sensors and information *** previous research,we synthesized a series of materials with red or green PL and dielectric switching capabilities by incorporating luminescent metal halides into organic ammonium ***,effective modification to synthesize organic-inorganic hybrid materials with dielectric switching response and orange PL continues to be a challenge in the respective *** PL materials are valuable for switching and sensors,and most orange light sources are derived from rare earth elements,making them harder to *** have successfully synthesized two organic-inorganic hybrid materials([CMPD]PbBr3(1)and[BMPD]PbBr3(2),CMPD=N-ClCH2-N-methylpiperidine,BMPD=N-BrCH2-N-methylpiperidine)that exhibit both orange PL and dielectric switching *** Cl in compound 1 is substituted by Br in compound 2,the phase transition temperature of the compound is elevated by 45 *** compounds exhibit captivating orange light emission when exposed to ultraviolet *** research provides insights into exploring multifunctional materials with orange PL and dielectric switching response and provides proof for halogen substitution strategies to design materials with higher phase transition temperatures.

关键词： Dielectric switching Photoluminescence Orange

Molecular Ferroelastic Induced by Mono-/Double-Protonation Strategy

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Chinese Journal of Chemistry 2024年第15期42卷 1706-1712页

作者： Jia-Qi Luo Meng-Meng Lun Qiang-Qiang Jia Zhi-Jie Wang Hai-Feng Lu Yi Zhang da-wei fu Institute for Science and Applications of Molecular Ferroelectrics Key Laboratory of the Ministry of Education for Advanced Catalysis MaterialsZhejiang Normal UniversityJinhuaZhejiang 321004China Ordered Matter Science Research Center Jiangsu Key Laboratory for Science and Applications of Molecular FerroelectricsSoutheast UniversityNanjingJiangsu 211189China

Molecular ferroelastics with the natural features of mechanical flexibility and switchable spontaneous strain have attracted widespread attention in the scientific community due to their potential applications in tunable gratings,flexible memorizers,strain sensors,and intelligent ***,most designs of molecular ferroelastics remain in the stage of blind exploration,posing a challenge to achieve a functional ferroelastic more ***,we have successfully obtained a molecular ferroelastic,[Me_(2)NH(CH_(2))_(2)NH_(3)](ReO_(4))_(2)(Me_(2)NH(CH_(2))_(2)NH_(3)=N,N-dimethylethylenediammonium),under the guidance of the mono-/double-protonation ***_double-protonated[Me_(2)NH(CH_(2))_(2)NH_(3)](ReO_(4))_(2) undergoes a paraelastic-ferroelastic phase transition with the Aizu notation of 2/mFi at 322 ***,the theoretical calculation and experimental measurement simultaneously show that[Me_(2)NH(CH_(2))_(2)NH_(3)](ReO_(4))_(2) possesses good mechanical flexibility,because its elastic modulus(E)of 8.26 GPa and hardness(H)of 0.45 GPa are smaller than the average values of organic crystals(E of 12.05 GPa and H of 0.5 GPa),which makes it promising to apply in wearable pressure sensors,implantable medical sensors,high-precision tuners,*** work further enriches the molecular ferroelastic family and demonstrates that mono-/double-protonation is one of the effective molecular modification strategies for designing ferroelastics.

关键词： Molecular crystal Ferroelastic Mono-/double-protonation Mechanical flexibility Phase transition Crystal engineering Computational chemistry Molecular dynamics

基于中低频阻抗谱的锂离子电池容量快速估计方法

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中国公路学报 2024年第2期37卷 293-303页

作者：孙丙香庞俊峰苏晓佳付大伟付智城北京交通大学国家能源主动配电网技术研发中心北京100044 北京空间飞行器总体设计部北京100094

针对批量电动汽车退役电池的梯次利用,电池评估专用设备的技术研发面临迫切需求,但评估软件的算法策略开发难度大。兼顾快速性与准确性的阻抗谱方法在专用设备实现中具有良好的可行性。因此选择测试时间短且对采样频率要求低的中低频阻... 详细信息

针对批量电动汽车退役电池的梯次利用,电池评估专用设备的技术研发面临迫切需求,但评估软件的算法策略开发难度大。兼顾快速性与准确性的阻抗谱方法在专用设备实现中具有良好的可行性。因此选择测试时间短且对采样频率要求低的中低频阻抗谱,在硬件实现中既节约了高频采样成本,又避免了低频正弦难以精准实现的难题。通过拟合电荷转移阻抗特征圆,提取顶点虚部、拐点虚部、圆心横坐标、圆与实轴的交点及其模态分解残值5个健康特征,运用皮尔逊相关系数验证健康特征与容量的相关性,利用高斯过程回归指数模型进行模型训练并验证,实现了锂离子电池容量的快速估计。首先应用实验室测试数据进行方法验证,试验值均在估计值的95%置信区间内;然后应用公开数据集进一步验证,该方法建立估计模型决定系数R2为0.92,估计结果的均方根误差为0.490 8,平均绝对百分比误差为1.343 1%。此外,分别选取减少阻抗谱拟合圆数据点、选取中低频阻抗谱顶点和拐点阻抗、提取实轴以上全频段固定频率点阻抗3种方法,对比验证了所提方法的精度优势和有效性。结果表明:通过拟合特征圆提取关键参数,融合拐点和顶点特征,在保证较高精度的条件下,能够实现电池容量的快速估计。

关键词：汽车工程容量快速估计中低频电化学阻抗谱锂离子电池高斯过程回归弛豫时间分布

坝上及毗邻区甜菜生长中后期块根主要性状变化规律研究

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中国甜菜糖业 2024年第2期 11-19,38页

作者：林柏森李伟刘进校菅晨光付大伟赤峰绿璐种业有限公司内蒙赤峰024005 博天糖业有限公司河北张家口075000 敕勒川糖业有限公司内蒙包头014010

2022年定点调查表明,重茬、晚播甜菜R/T比值小,含糖低;距离滴灌支管在5.0米范围内KWS1197(高、绿)甜菜R/T比值小,含糖相对低,而远离滴灌支管KWS1197(矮、黄)甜菜R/T比值大,含糖相对高;丰产型品种KWS2314和高糖型品种MA097,R/T比值大,含... 详细信息

2022年定点调查表明,重茬、晚播甜菜R/T比值小,含糖低;距离滴灌支管在5.0米范围内KWS1197(高、绿)甜菜R/T比值小,含糖相对低,而远离滴灌支管KWS1197(矮、黄)甜菜R/T比值大,含糖相对高;丰产型品种KWS2314和高糖型品种MA097,R/T比值大,含糖都比较高;2023年大田调查表明,坝上及毗邻区甜菜含糖不高。随着调查时间的推迟,甜菜平均单株块根重增加、平均单株地上部重减少或稳定、R/T比值增加、含糖增加。甜菜在不同锤度范围的甜菜样本数量分布频率与锤度范围之间有如下关系:正偏态分布、负偏态分布、正态分布、幂指数关系。

关键词：甜菜锤度坝上及毗邻区分布频率

Crystal structure and dielectric property of supramolecular macrocyclic[(NDPA).(18-crown-6)]^(2+)·(DMA)^+·3ClO_4^-assemblies

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Chinese Chemical Letters 2015年第1期26卷 31-35页

作者： Fang-Fang Wang Cheng Chen Yi Zhang da-wei fu Ordered Matter Science Research Center Southeast University

One novel organic-inorganic hybrid supramolecular assemblies ｜（NDPA）（18-crown-6）]2＋（DMA）＋·3ClO4^-（1）,has been successfully constructed through the prominent strategies of crystal engineering（NDPA = N,N-dimethyI-1,4-phenylenediamine,DMA = dimethylamine）,and characterized by IR,powder XRD and single crystal X-ray *** the structure,the supramolecular organic cations and inorganic ClO_4^- anions are arranged alternately and linked by N-O…H hydrogen *** is worthy to note that the ClO_4^- are linked to form one-dimensional inorganic chain through strong NH…O hydrogen bonds along *** is no distinct dielectric anomaly in the temperaturedependent and frequency-dependent dielectric constant curves,suggesting that no phase transition exists within the measured temperature range（120-420 K）.The relative displacement of cations and anions,the turned polarization of molecular electric moment and macrocyclic molecule rotator are the main factors to determine the trend of dielectric constant.

关键词： Organic-inorganic hybrid Dielectric constant Macrocyclic assembly Crystal structure

Ferroelectric hybrid organic-inorganic perovskites and their structural and functional diversity

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National Science Review 2023年第2期10卷 242-259页

作者： Tie Zhang Ke Xu Jie Li Lei He da-wei fu Qiong Ye Ren-Gen Xiong Jiangsu Key Laboratory for Science and Applications of Molecular Ferroelectrics Southeast University Institute for Science and Applications of Molecular Ferroelectrics Key Laboratory of the Ministry of Education for Advanced Catalysis MaterialsZhejiang Normal University

Molecular ferroele ctrics have gradually aroused great interest in both fundamental scientific research and te chnological applications because of their easy processing,light weight and mechanical *** organic-inorganic perovskite ferroelectrics(HOIPFs),as a class of molecule-based ferroelectrics,have diverse functionalities owing to their unique structure and have become a hot spot in molecular ferroelectrics ***,they are extremely attractive in the field of ***,there seems to be a lack of systematic review of their design,performance and potential ***,we review the recent development of HOIPFs from lead-base d,lead-free and metal-free perovskites,and outline the vers atility of these ferroelectrics,including piezoelectricity for mechanical energy-harvesting and optoelectronic properties for photovoltaics and light ***,a perspective view of the challenges and future directions of HOIPFs is also highlighted.

关键词： ferroelectrics hybrid perovskite molecular design photoelectric effect piezoelectricity

Hydrogen-Bonded Engineering Enhancing Phase Transition Temperature in Molecular Perovskite Ferroelastic

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Chinese Journal of Chemistry 2022年第13期40卷 1559-1565,I0002页

作者： Tie Zhang Kun Ding Jun-Yi Li Guo-wei Du Lu-Lu Chu Yi Zhang da-wei fu Ordered Matter Science Research Center Jiangsu Key Laboratory for Science and Applications of Molecular FerroelectricsSoutheast UniversityNanjingJiangsu211189China

The broad operating temperature range is sought for molecular ferroic materials who are expected to be applied to flexible and electronic *** bonds,an effective force between molecules,are important to regulate the molecule structure and their condition,helping a higher temperature range for ferroic ***,we report a molecular perovskite ferroelastic(Me-Hdabco)Rb[BF_(4)]_(3)(Me-Hdabco=N-methyldabconium)which shows high temperature(T_(1)=322.5 K and T_(2)=381K)ferroelastic phase *** ferroelastic phase transition temperature range of(Me-Hdabco)Rb[BF_(4)]_(3) is significantly increased by 71 K compared with[Meda-bco-F]Rb[BF_(4)]_(3)(Medabco-F=1-fluoro-4-methyl-1,4-diazoniabicyclo[2.2.2]octane).Structural analysis and thermal analysis demonstrate the ferroelastic phase transition is mainly attributed to dynamic cations order and disorder ***,new hydrogen bonds generated between cations and the Rb_(8)[BF_(4)]_(12) frame increase their intermolecular force,which is beneficial to improving the phase transition *** finding has an important impact on the utilization of weak interactionforces to design and optimize functional materials.

关键词： Molecular dynamics Ferroelastic crystal Dielectric Hydrogen bonds Phase transitions

Synthesis of Cerium-containing Polymethylphenyl Silicone and Its Antioxidant Effect on Fluorosilicone Rubber

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Chinese Journal of Polymer Science 2019年第8期37卷 783-789页

作者： Yong Guan Jian Hu Yong-Kang Huang Yang You Huan-Yao Zhang An-Na Zheng Xiang Xu da-fu wei Key Laboratory for Ultrafine Materials of Ministry of Education School of Materials Science and Engineering East China University of Science and Technology Shanghai 200237 China Key Laboratory for Specially functional Polymeric Materials and Related Technology of the Ministry of Education School of Materials Science and Engineering East China University of Science and Technology Shanghai 200237 China

As an essential elastomer used in edge technologies, fluorosilicone rubber(FSR) suffers serious oxidative ageing problem when serving at high temperature. Cerium oxide is generally used as an antioxidant additive but remains unsatisfactory. In order to obtain better antioxidant effect on improving the thermal stability of FSR, a kind of cerium-containing polymethylphenyl silicone(PSI-Ce) was synthesized and the structure was verified by Fourier-transform infrared spectroscopy(FTIR) and proton nuclear magnetic resonance(1HNMR). Due to the homogeneous dispersion on molecular scale, PSI-Ce imposed much better antioxidant effect than the commercial CeO2 did, no matter from isothermal degradation at 320 ℃ or thermal-oxidative ageing test at 230 ℃. In particular, after ageing for 72 h,FSR/PSI-Ce(2 phr) maintained 82% of tensile strength and 63% of elongation at break, in comparison to the corresponding values of 48%and 42% for FSR/CeO2(2 phr). Moreover, 2 phr PSI-Ce was equivalent to 0.046 phr CeO2 according to cerium element conservation.

关键词： Polymethylphenyl silicone Cerium Fluorosilicone rubber Thermal stability

Mechanochemistry enables optical-electrical multifunctional response and tunability in two-dimensional hybrid perovskites

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Science China Materials 2021年第3期64卷 706-716页

作者： Zhi-Xu Zhang Chang-Yuan Su Ji-Xing Gao Tie Zhang da-wei fu Ordered Matter Science Research Center Jiangsu Key Laboratory for Science and Applications of Molecular FerroelectricsSoutheast UniversityNanjing211189China Institute for Science and Applications of Molecular Ferroelectrics Key Laboratory of the Ministry of Education for Advanced Catalysis MaterialsZhejiang Normal UniversityJinhua321004China

Two-dimensional(2D)organic-inorganic hybrid perovskites(OIHPs)have attracted phenomenal attention because of their superior optoelectronic *** combination of their structural tunability and material stability offers an unprecedented opportunity to engineer materials with unique ***,developing a rapid and effective design method for introducing luminescence into dielectric switch and realizing controllable regulation has been an enormous *** far,materials with tunable optoelectronic multichannel response have not been successfully *** this study,we successfully developed a facile and effective mechanochemical method for realizing the integration and regulation of luminescence and dielectric switch in 2D perovskites,which is unprecedented for the design of dielectric switching *** mild external mechanical stimuli enabled the formation of Mn ion-doped 2D hybrid perovskites(Cyclopropylammonium)2Pb1-xMnxBr4 with excellent dielectric switch and rapidly controllable luminescence of highly efficient blue light,white light,pink light,and orange *** work will provide a new perspective on the rapid and effective design of multifunctional materials and can inspire the future development of low-cost and high-efficiency electronics.

关键词： 2D hybrid perovskite tunable optoelectronic response mechanochemistry multifunctional material

The structure and dielectric properties of ionic compounds with flexible ammonium moiety

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Chinese Chemical Letters 2015年第3期26卷 382-386页

作者： Hui-Ting Wang Li-Hui Kong Ping-Ping Shi Qiang Li Qiong Ye da-wei fu Ordered Matter Science Research Center Southeast University

The 3-morpholin-4-yl-propyl-ammine tetrafluoroborate（MPA^＋）（BF4^-）（1） and the 3-morpholin-4-ylpropyl-ammine perchlorate（MPA^＋）（ClO4^-）（2） were synthesized and separated as colorless block ***（MPA^＋）（BF4^-） undergoes a reversible phase transition at ca.347.3 K with a hysteresis of16.1 *** measurement also can confirm the *** crystal structure determined at300 K（monoclinic,P21/c,a = 9.978（2）A,b = 7.5206（15）A,c = 15.058（3）A,b = 96.99（3）8,v = 1121.6（4）A^3,z = 4） and 373 K（triclinic,P-1,a = 10.021（7）A,b = 7.662（3）A,c = 7.920（4）A,a = 95.012（14）8,b = 101.67（4）8,g = 91.48（3）8,v = 592.7（6）A^3,z = 2） reveal that this compound has two *** most distinct is the BF4^- anion is disorder at 373 K,which is probably the driving force of the phase *** measurement,dielectric measurement and the crystal structure of the compound 2 did not change at 300 K and 100 K.

关键词： moiety ionic dielectric triclinic reversible monoclinic propyl ammonium anion cyclohexane