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Crystal engineering regulation achieving inverse temperature symmetry breaking ferroelasticity in a cationic displacement type hybrid perovskite system 被引量:3
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作者 Na Wang Wang Luo +6 位作者 Huaiyi Shen Huakai Li Zejiang Xu Zhiyuan Yue Chao Shi Hengyun Ye Leping Miao 《Chinese Chemical Letters》 SCIE CAS CSCD 2024年第5期477-481,共5页
Ferroelastic hybrid perovskite materials have been revealed the significance in the applications of switches,sensors,actuators,etc.However,it remains a challenge to design high-temperature ferroelastic to meet the req... Ferroelastic hybrid perovskite materials have been revealed the significance in the applications of switches,sensors,actuators,etc.However,it remains a challenge to design high-temperature ferroelastic to meet the requirements for the practical applications.Herein,we reported an one-dimensional organicinorganic hybrid perovskites(OIHP)(3-methylpyrazolium)CdCl_(3)(3-MBCC),which possesses a mmmF2/m ferroelastic phase transition at 263 K.Moreover,utilizing crystal engineering,we replace-CH_(3) with-NH_(2) and-H,which increases the intermolecular force between organic cations and inorganic frameworks.The phase transition temperature of(3-aminopyrazolium)CdCl_(3)(3-ABCC),and(pyrazolium)CdCl_(3)(BCC)increased by 73 K and 10 K,respectively.Particularly,BCC undergoes an unconventional inverse temperature symmetry breaking(ISTB)ferroelastic phase transition around 273 K.Differently,it transforms from a high symmetry low-temperature paraelastic phase(point group 2/m)to a low symmetry high-temperature ferroelastic phase(point group ī)originating from the rare mechanism of displacement of organic cations phase transition.It means that crystal BCC retains in ferroelastic phase above 273 K until melting point(446 K).Furthermore,characteristic ferroelastic domain patterns on crystal BCC are confirmed with polarized optical microscopy.Our study enriches the molecular mechanism of ferroelastics in the family of organic-inorganic hybrids and opens up a new avenue for exploring high-temperature ferroic materials. 展开更多
关键词 Organic-inorganic hybrid perovskite crystal engineering Inverse temperature symmetry breaking Displacement type phase transition FERROELASTICITY
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Crystal engineering in the development of improved pesticide products 被引量:1
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作者 Xiaofang Niu Rui Yang +1 位作者 Huimin Zhang Jingxiang Yang 《Advanced Agrochem》 2022年第1期39-60,共22页
Pesticides might be the only group of poisonous chemicals that are widely sprayed into the environment,but the use of pesticides is inevitable for crop protection and infectious disease control.When an ideal new pesti... Pesticides might be the only group of poisonous chemicals that are widely sprayed into the environment,but the use of pesticides is inevitable for crop protection and infectious disease control.When an ideal new pesticide compound is selected,its properties must be optimized to realize the full potential of the compound and extend its lifespan in the market.Crystal engineering has proven to be a viable strategy for manipulating the properties of solid-state pesticides.This review describes basic concepts of crystal engineering and its application in pesticide development through representative cases reported mainly by large agrochemical companies.The solid forms that present improved properties could justify patent protection,extending the market exclusivity of the pesticide product.The purpose of this review is to present the potential impact of crystal engineering strategies on the improvement of pesticide products,with emphasis on the importance of comprehensive characterization of the crystallization behaviors of a selected pesticide during its entire life cycle. 展开更多
关键词 PESTICIDES crystal engineering POLYMORPHS Solid forms
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Developing a highly scalable synthetic strategy for 5-amino-4-nitrobenzo[1,2-c:3,4-c']bis([1,2,5]oxadiazole)1,b-dioxide(CL-18)and investigating the influence of crystal engineering and positional isomerization on its safety and laser ignition performance
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作者 Lei Yang Zhenqi Zhang +2 位作者 Wei Du Jinshan Li Qing Ma 《Defence Technology(防务技术)》 SCIE EI CAS 2024年第11期13-21,共9页
5-amino-4-nitrobenzo[1,2-c:3,4-c']bis([1,2,5]oxadiazole)1,6-dioxide(CL-18)exhibits significant potential as an initiating explosive.However,its current synthesis process remains non-scalable due to low yields and ... 5-amino-4-nitrobenzo[1,2-c:3,4-c']bis([1,2,5]oxadiazole)1,6-dioxide(CL-18)exhibits significant potential as an initiating explosive.However,its current synthesis process remains non-scalable due to low yields and safety risks.In this study,we have developed a simple and safe synthetic route for CL-18.It was synthesized from 3,5-dihaloanisole in a four-step reaction with an overall yield exceeding 60%,surpassing all reported yields in the literature.Subsequently,recrystallization of CL-18 was successfully achieved by carefully selecting appropriate solvents and antisolvents to reduce its mechanical sensitivity.Ultimately,when DMF-ethanol was employed as the recrystallization solvent system,satisfactory product yield(>90%)and reduced mechanical sensitivity(IS=15 J;FS=216 N)were obtained.Additionally,CL-18 is derived from the rearrangement of oxygen atoms on i-CL-18 furoxan,and a comparative analysis of their physicochemical properties was conducted.The thermal stability of both compounds is similar,with onset decomposition temperatures recorded at 186 and 182℃respectively.Similarly,they exhibit 5 s breaking point temperatures of 236 and 237℃.Additionally,we present novel insights into the positional-isomerization-laser-ignition performance of CL-18 and its isomer i-CL-18 using laser irradiation for the first time.Remarkably,our findings demonstrate that i-CL-18 exhibits enhanced laser sensitivity,as it can be directly ignited by a 1064 nm wavelength laser,whereas CL-18 lacks this characteristic. 展开更多
关键词 Initiating explosive Synthetic method crystal engineering Positional isomerization Laser ignition
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Accelerated Sequential Deposition Reaction via Crystal Orientation Engineering for Low-Temperature,High-Efficiency Carbon-Electrode CsPbBr_(3) Solar Cells 被引量:2
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作者 Zeyang Zhang Weidong Zhu +10 位作者 Tianjiao Han Tianran Wang Wenming Chai Jiaduo Zhu He Xi Dazheng Chen Gang Lu Peng Dong Jincheng Zhang Chunfu Zhang Yue Hao 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2024年第1期168-175,共8页
Low-temperature,ambient processing of high-quality CsPbBr_(3)films is demanded for scalable production of efficient,low-cost carbon-electrode perovskite solar cells(PSCs).Herein,we demonstrate a crystal orientation en... Low-temperature,ambient processing of high-quality CsPbBr_(3)films is demanded for scalable production of efficient,low-cost carbon-electrode perovskite solar cells(PSCs).Herein,we demonstrate a crystal orientation engineering strategy of PbBr_(2)precursor film to accelerate its reaction with CsBr precursor during two-step sequential deposition of CsPbBr_(3)films.Such a novel strategy is proceeded by adding CsBr species into PbBr_(2)precursor,which can tailor the preferred crystal orientation of PbBr_(2)film from[020]into[031],with CsBr additive staying in the film as CsPb_(2)Br_(5)phase.Theoretical calculations show that the reaction energy barrier of(031)planes of PbBr_(2)with CsBr is lower about 2.28 eV than that of(O2O)planes.Therefore,CsPbBr_(3)films with full coverage,high purity,high crystallinity,micro-sized grains can be obtained at a low temperature of 150℃.Carbon-electrode PSCs with these desired CsPbBr_(3)films yield the record-high efficiency of 10.27%coupled with excellent operation stability.Meanwhile,the 1 cm^(2)area one with the superior efficiency of 8.00%as well as the flexible one with the champion efficiency of 8.27%and excellent mechanical bending characteristics are also achieved. 展开更多
关键词 carbon-electrode perovskite solar cells crystal orientation engineering CsPbBr_(3) low temperature two-step sequential deposition
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Crystal orientation dependent charge transfer dynamics and interfacial water configuration boosting photoelectrocatalytic water oxidation to H2O_(2)
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作者 Yan Zhao Zhenming Tian +7 位作者 Qisen Jia Ting Yao Jiashu Li Yanan Wang Xuejing Cui Jing Liu Xin Chen Luhua Jiang 《Chinese Journal of Structural Chemistry》 2025年第7期35-48,共14页
Photoelectrochemical water oxidation reaction (PEC-WOR) as a sustainable route to produce H_(2)O_(2) is attractive but limited by low activity and poor product selectivity of photoanodes due to limited photogenerated ... Photoelectrochemical water oxidation reaction (PEC-WOR) as a sustainable route to produce H_(2)O_(2) is attractive but limited by low activity and poor product selectivity of photoanodes due to limited photogenerated charge efficiency and unfavorable thermodynamics. Herein, by crystal orientation engineering, the WO_(3) photoanode exposing (200) facets achieves both superior WOR activity (15.4 mA cm^(−2) at 1.76 VRHE) and high selectivity to H_(2)O_(2) (∼70%). Comprehensive experimental and theoretical investigations discover that the high PEC-WOR activity of WO_(3)-(200) is attributed to the rapid photogenerated charge separation/transfer both in bulk and at interfaces of WO_(3)-(200) facet, which reduces the charge transfer resistance. This, coupling with the unique defective hydrogen bonding network at the WO_(3)-(200)/electrolyte interface evidenced by operando PEC Fourier transform infrared spectroscopy, facilitating the outward-transfer of the WOR-produced H^(+), lowers the overall reaction barrier for the PEC-WOR. The superior selectivity of PEC-WOR to H_(2)O_(2) is ascribed to the unique defective hydrogen bonding network alleviated adsorption of ∗OH over the WO_(3)-(200) facet, which specially lowers the energy barrier of the 2-electron pathway, as compared to the 4-electron pathway. This work addresses the significant role of crystal orientation engineering on photoelectrocatalytic activity and selectivity, and sheds lights on the underlying PEC mechanism by understanding the water adsorption behaviors under illumination. The knowledge gained is expected to be extended to other photoeletrochemical reactions. 展开更多
关键词 Photoelectrocatalytic water oxidation SELECTIVITY crystal orientation engineering Operando fourier transform infrared spectroscopy Interfacial water structure
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Phenylboronic acids in crystal engineering:Utility of the energetically unfavorable syn,syn-conformation in co-crystal design 被引量:2
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作者 VARUGHESE Sunil SINHA Shashi Bhushan DESIRAJU Gautam R. 《Science China Chemistry》 SCIE EI CAS 2011年第12期1909-1919,共11页
Phenylboronic acids can exist, in principle, in three different conformers (syn, syn; syn, anti and anti, anti) with distinct energy profiles. In their native state, these compounds prefer the energetically favored ... Phenylboronic acids can exist, in principle, in three different conformers (syn, syn; syn, anti and anti, anti) with distinct energy profiles. In their native state, these compounds prefer the energetically favored syn, anti-conformation. In molecular complexes, however, the functionality exhibits conformational diversity. In this paper we report a series of co-crystals, with N-donor compounds, prepared by a design strategy involving the synthons based on the syn, syn-conformation of the boronic acid functionality. For this purpose, we employed compounds with the 1,2-diazo fragment (alprazolam, 1H-tetrazole, acetazolamide and benzotriazole), 1,10-phenanthroline and 2,2'-bipyridine for the co-crystallization experiments. However, our study shows that the mere presence of the 1,2-diazo fragment in the coformer does not guarantee the successful formation of co-crystals with a syn, syn-conformation of the boronic acid. 展开更多
关键词 crystal engineering phenylboronic acid supramolecular synthon conformational flexibility
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High-performance and broadband photodetection of bicrystalline(GaN)_(1-x)(ZnO)_(x)solid solution nanowires via crystal defect engineering 被引量:1
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作者 Zongyi Ma Gang Li +8 位作者 Xinglai Zhang Jing Li Cai Zhang Yonghui Ma Jian Zhang Bing Leng Natalia Usoltseva Vladimir An Baodan Liu 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2021年第26期255-262,共8页
Crystal defect engineering is widely used as an effective approach to regulate the optical and optoelectronic properties of semiconductor nanostructures.However,photogenerated electron-hole pair recombination centers ... Crystal defect engineering is widely used as an effective approach to regulate the optical and optoelectronic properties of semiconductor nanostructures.However,photogenerated electron-hole pair recombination centers caused by structural defects usually lead to the reduction of optoelectronic performance.In this work,a high-performance photodetector based on(GaN)_(1-x)(ZnO)_(x)solid solution nanowire with bicrystal structure is fabricated and it shows excellent photoresponse to ultraviolet and visible light.The highest responsivity of the photodetector is as high as 60,86 and 43 A/W under the irradiation of365 nm,532 nm and 650 nm,respectively.The corresponding response time is as fast as 170,320 and 160 ms.Such wide spectral responses can be attributed to various intermediate energy levels induced by the introduction of various structural defects and dopants in the solid solution nanowire.Moreover,the peculiar bicrystal boundary along the axial direction of the nanowire provides two parallel and fast transmission channels for photo-generated carriers,reducing the recombination of photo-generated carriers.Our findings provide a valued example using crystal defect engineering to broaden the photoresponse range and improve the photodetector performance and thus can be extended to other material systems for various optoelectronic applications. 展开更多
关键词 (GaN)1-x(ZnO)x NANOWIRES Photodetectors Broadband photodetection crystal defect engineering
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Decision Making Support System(DSS)——A Synthesized and Integrated Crystallization of Systems Engineering, Artificial Intelligence and Electronic Technologies
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作者 汪成为 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 1993年第1期1-2,共2页
I firmly believe that of systems engineering is the requirement-driven force for the progress ofsoftware engineering, artificial intelligence and electronic technologies. The development ofsoftware engineering, artifi... I firmly believe that of systems engineering is the requirement-driven force for the progress ofsoftware engineering, artificial intelligence and electronic technologies. The development ofsoftware engineering, artificial intelligence and electronic technologies is the technical supportfor the progress of systems engineering. INTEGRATION can be considered as "bridging" the ex-isting technologies and the People together into a coordinated SYSTEM. 展开更多
关键词 Decision Making Support System Artificial Intelligence and Electronic Technologies DSS A Synthesized and Integrated crystallization of Systems engineering
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B-site ion regulation strategy enables performance optimization and multifunctional integration of hybrid perovskite ferroelectrics
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作者 Hao-Fei Ni Jia-He Lin +7 位作者 Gele Teri Qiang-Qiang Jia Pei-Zhi Huang Hai-Feng Lu Chang-Feng Wang Zhi-Xu Zhang Da-Wei Fu Yi Zhang 《Chinese Chemical Letters》 2025年第3期555-559,共5页
The performance optimization of materials is an eternal theme and challenge in scientific research,which is reflected in ferroelectric filed to two hot topics of enhancing Curie temperature(TC)and functional versatili... The performance optimization of materials is an eternal theme and challenge in scientific research,which is reflected in ferroelectric filed to two hot topics of enhancing Curie temperature(TC)and functional versatility.The former one vitally determines ferroelectric operational temperature range while the latter would open up new application possibilities.Effective chemical modification or doping strategies on A-site and X-site components have been successfully developed in hybrid organic-inorganic perovskite(HOIP)ferroelectrics,however,the important role of adjusting B-site ions has long been overlooked.Here,we have implemented regulation on the ion radius of the B-site component to successfully obtain two new HOIP ferroelectrics(3-pyrrolinium)BBr_(3)(B=Mn and Ni).Compared to parent(3-pyrrolinium)CdBr_(3),the TC(△T=99 K)was significantly optimized by replacing the Cd^(2+)with smaller Mn^(2+)or Ni^(2+)ions.More strikingly,the introduction of Mn^(2+)and Ni^(2+)ions with octahedral coordination bring out intriguing red emission and magnetism respectively,making the multifunctional integration in a single material for multiple uses.This work provides a feasible strategy for performance optimizing of HOIP ferroelectrics,and would shed light for constructing multifunctional ferroelectrics. 展开更多
关键词 FERROELECTRIC Hybrid perovskites crystal engineering Curie temperature Phase transition
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Recent Developments in the Crystallization Process: Toward the Pharmaceutical Industry 被引量:16
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作者 Zhenguo Gao Sohrab Rohani +1 位作者 Junbo Gong Jingkang Wang 《Engineering》 SCIE EI 2017年第3期343-353,共11页
Crystallization is one of the oldest separation and purification unit operations, and has recently contributed to significant improvements in producing higher-value products with specific properties and in building ef... Crystallization is one of the oldest separation and purification unit operations, and has recently contributed to significant improvements in producing higher-value products with specific properties and in building efficient manufacturing processes. In this paper, we review recent developments in crystal engineering and crystallization process design and control in the pharmaceutical industry. We systematically summarize recent methods for understanding and developing new types of crystals such as co-crystals, polymorphs, and solvates, and include several milestones such as the launch of the first co-crystal drug, Entresto (No- vartis), and the continuous manufacture of Orkambi (Vertex). Conventional batch and continuous processes, which are becoming increasingly mature, are being coupled with various control strategies and the recently developed crystallizers are thus adapting to the needs of the pharmaceutical industry. The development of crystallization process design and control has led to the appearance of several new and innovative crystal- lizer geometries for continuous operation and improved performance. This paper also reviews major recent orogress in the area of process analytical technology. 展开更多
关键词 crystalLIZATION crystal engineering POLYMORPHISM crystallization process design and control crystal size distribution
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Synthesis and Crystal Structure of a Novel Chiral 3D Metal-organic Framework Based on an N-methyl Substituted Salan Ligand 被引量:5
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作者 张放为 周艳芳 +3 位作者 董金桥 刘百战 郑赛晶 崔勇 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第8期1154-1158,共5页
A chiral 3D metal-organic framework [CdL].DMSO'H20 (1) was constructed by an N-methyl substituted salan ligand (H2L), and characterized by elemental analyses, IR, TGA, powder XRD and single-crystal X-ray crystall... A chiral 3D metal-organic framework [CdL].DMSO'H20 (1) was constructed by an N-methyl substituted salan ligand (H2L), and characterized by elemental analyses, IR, TGA, powder XRD and single-crystal X-ray crystallography. 1 crystallizes in the chiral hexagonal space group P6522 with a = b = 12.2175(3), c = 51.450(3) A, V= 6650.9(4) A3, Z = 6, Mr = 883.45, Dc = 1.323 g.cm-3, F(000) = 2760, 2(CuKa) = 1.54178 A,β = 4.771 mm-1, GOOF = 1.041, R = 0.0313 for 3901 observed reflections with I 〉 20(/) and wR = 0.0773.1 consists of three identical sets of independent 3D frameworks interpenetrated with each other. In each set of such 3D frameworks, one half of the monomer (CdL)1/2 as the building unit forms double antiparrel helical chains which are further bridged together by other (CdL)1/2 units from adjacent helical chains. All CdL units in 1 adopt A geometry. DMSO and water vip molecules are found in the gap of the interpenetrated frameworks. 展开更多
关键词 metal-organic framework CHIRALITY metallosalan crystal engineering
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A Novel Cadmium(Ⅱ) Complex Based on Asymmetric Dicarboxylate and N-Auxiliary Ligand: Synthesis, Crystal Structure and Properties 被引量:2
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作者 王彦 刘志强 +4 位作者 王素娜 刘光祥 陈友存 汪潇潇 叶梦 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第6期903-907,共5页
One Cd(II) complex based on dicarboxylate and N-auxiliary ligand, namely, [Cd(aip)(m-bix)]n (1, H2aip = 5-aminoisophthalic acid, m-bix = 1,3-bis(imidazol-l-yl-methyl)ben- zene), was successfully synthesized ... One Cd(II) complex based on dicarboxylate and N-auxiliary ligand, namely, [Cd(aip)(m-bix)]n (1, H2aip = 5-aminoisophthalic acid, m-bix = 1,3-bis(imidazol-l-yl-methyl)ben- zene), was successfully synthesized under hydrothermal conditions. Single-crystal X-ray diffraction analysis reveals that 1 belongs to the orthorhombic system, space group Pbca with a = 14.0790(11), b = 17.0038(15), c = 17.3191(16), V= 4146.1(6) A3, Z = 8, D,. = 1.698 g.cm"3, p = 1.095 mm-1, F(000) = 2128, the final R = 0.0268 and wR = 0.0623. Complex 1 is a three-dimensional architecture with fsc-3,5-Cmce-1 topology, in which the metal ions act as rare 5-connected nodes. The TGA, XRD and luminescent properties of I were studied. 展开更多
关键词 crystal engineering TOPOCHEMISTRY hydrothermal synthesis Cd(II) complex
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Synthesis and Crystal Structure of a Two-dimensional Cadmium Complex Based on Terephthalate and 1-Methyl-2,2'-bibenzimidazole 被引量:1
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作者 夏昌坤 吴小园 +1 位作者 吴鼎铭 卢灿忠 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第4期585-589,共5页
The title complex, [Cd(MeHbibzim)(1,4-bdc)]n (1, MelToibzim = 1-methyl-2,2'- bibenzimidazole, 1,4-bdc = terephthalate), was synthesized with hydrothermal reactions. The compound crystallizes in monoclinic, spac... The title complex, [Cd(MeHbibzim)(1,4-bdc)]n (1, MelToibzim = 1-methyl-2,2'- bibenzimidazole, 1,4-bdc = terephthalate), was synthesized with hydrothermal reactions. The compound crystallizes in monoclinic, space group C2/c with a = 9.822(4), b = 18.510(7), c = 22.372(9) A, β = 98.359(6)°, C23H16CdN4O4, Mr = 524.81, V= 4024(3) A3, Z = 8, Dc. = 1.733 g/cm3, μ(MoKa) = 1.126 mm-1, F(000) = 2096, the final R = 0.0597 and wR = 0.1374 for 3906 observed reflections (1 〉 2σ(I)). X-ray diffraction analysis reveals that the Cd atom is coordinated by two nitrogen atoms from the chelating MeHbibzim and three carboxyl oxygen atoms from three terephthalate ligands, thus forming a distorted square pyramidal coordination sphere, [CdN2O3]. Every two Cd atoms are linked together via two carboxyl groups into a dinuclear unit with Cd...Cd separation of 3.806(4) A. The dinuclear building units are linked by terephthalate ligands into two-dimensional layers, which are further aggregated into a 3D framework via hydrogen bonding interactions. 展开更多
关键词 crystal engineering hydrogen bonding interactions l-methyl-2 2"-bibenzimidazole terephthalate cadmium compound
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Syntheses and Crystal Structures of Two New Supramolecular Architectures Constructed from the Main Group Metal Chloride and Protonated 2-(3-Pyridyl)benzimidazole 被引量:1
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作者 夏昌坤 吴小园 +1 位作者 吴鼎铭 卢灿忠 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第3期318-323,共6页
The reactions of SbCl3 and HgCl2 with 2-(3-pyridyl)benzimidazole (PyBIm) in solution acidified with HCl have been investigated. The PyBIm ligands are protonated into 2-(3-pyridinio)benzimidazolium (H2PyBIm) ca... The reactions of SbCl3 and HgCl2 with 2-(3-pyridyl)benzimidazole (PyBIm) in solution acidified with HCl have been investigated. The PyBIm ligands are protonated into 2-(3-pyridinio)benzimidazolium (H2PyBIm) cations and the corresponding metal ions are bonded with chloride atoms into coordination anions, forming two new coordination compounds, namely, (H2PyBIm)(SbCl5) 1 and (H2PyBIm)2(Hg2Cl8) 2. Both compounds were characterized by X-ray crystallography. Crystal data for 1: triclinic, space group P1^- with a = 5.7030(7), b = 9.0625(11), c = 16.5929(18) A, α = 91.808(7)°, β = 93.234(6), γ = 99.216(7)°, C12H11N3SbCl5, Mr = 496.24, V = 844.44(17) A^3, Z = 2, Dc = 1.952 g/cm^3, μ(MoKα) = 2.419 mm^-1, F(000) = 480, the final R = 0.0496 and wR = 0.1382 for 3433 observed reflections (I 〉 2σ(I)). Crystal data for 2: monoclinic, space group P21/c with a = 7.8061(5), b = 15.8127(9), c = 12.2435(9) , β = 91.955(4)o, C24H22N6Hg2Cl8, Mr = 1079.26, V = 1510.40(17) 3, Z = 2, Dc = 2.373 g/cm3, μ(MoKα) = 10.889 mm-1, F(000) = 1008, the final R = 0.0293 and wR = 0.0562 for 2854 observed reflections (I 〉 2σ(I)). X-ray diffraction analysis reveals that the antimony(III) is five-coordinated, exhibiting a slightly distorted square-pyramidal coordination geometry; while in 2, a dimeric [Hg2Cl8]^4-anion consists of two trigonal bipyramids sharing two common edges. The organic cations and coordination anions are connected into a one-dimensional belt and a two-dimensional sheet through N-H···Cl hydrogen bonding interactions in compounds 1 and 2, respectively; both are further aggregated into 3D frameworks by strong π-π contacts. 展开更多
关键词 crystal engineering hydrogen bonding interactions supramolecular chemistry 2-(3-pyridy1)benzimidazole antimony compound mercury compound
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Tailoring crystal polymorphs of organic semiconductors towards high-performance field-effect transistors
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作者 Yong-Gang Zhen Huan-Li Dong +1 位作者 Lang Jiang Wen-Ping Hu 《Chinese Chemical Letters》 SCIE CAS CSCD 2016年第8期1330-1338,1469,共9页
As a quite ubiquitous phenomenon,crystal polymorph is one of the key issues in the field of organic semiconductors.This review gives a brief summary to the advances on polymorph control of thin film and single crystal... As a quite ubiquitous phenomenon,crystal polymorph is one of the key issues in the field of organic semiconductors.This review gives a brief summary to the advances on polymorph control of thin film and single crystal of representative organic semiconductors towards high-performance field-effect transistors.Particularly,the relationship between crystal polymporh and charge transport behaviour has been discussed to shed light on the rational preparation of outstanding organic semiconducting materials with desired crystal polymorph. 展开更多
关键词 Organic semiconductors crystal polymorphs crystal engineering Charge transport Field-effect transistors
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A Novel Neodymium-tartrate Complex with Distinctive Rare Topology:Hydrothermal Synthesis and Crystal Structure
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作者 王彦 周菊红 +1 位作者 刘光祥 陈友存 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第12期1731-1736,共6页
One novel neodymium-tartrate complex exhibiting distinctive rare topology,name-ly,[Nd(TTA)1.5(H2O)]·H2O(1,H2TTA = tartaric acid),was successfully synthesized by the reaction of neodymium-oxide with H2TTA un... One novel neodymium-tartrate complex exhibiting distinctive rare topology,name-ly,[Nd(TTA)1.5(H2O)]·H2O(1,H2TTA = tartaric acid),was successfully synthesized by the reaction of neodymium-oxide with H2TTA under hydrothermal conditions.Single-crystal X-ray diffraction analysis reveals that 1 belongs to the monoclinic system,space group P21/c with a = 6.0357(13),b = 7.6106(17),c = 24.389(5) ,β = 100.136(5)°,V = 1102.8(4) 3,Z = 4,Dc = 2.423 g·cm-3,μ = 4.763 mm-1,F(000) = 776,the final R = 0.0689 and wR = 0.2191.In complex 1,the 2D layer consisting of μ4-ligands and 4-connected Nd(III) centers is a rare example of uni-nodal net of(42.64) topology.The 2D layers are further connected by μ2-TTA2-ligands to give a 3D(42.64)(42.67.8) topological structure,where the Nd(III) atoms act as rare 5-connected topological blocks. 展开更多
关键词 crystal engineering TOPOCHEMISTRY organic-inorganic hybrid composites hydrothermal synthesis
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Synthesis and Crystal Structure of a Cobalt(Ⅱ)Complex Based on 2,2-Bibenzimidazole and N,N-bis(phosphonomethyl)aminoacetic Acid
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作者 夏昌坤 吴小园 +1 位作者 吴鼎铭 卢灿忠 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第12期1883-1888,共6页
The title complex, [Co2(bibzim)(H2bibzim)4]·Co2(H2bibzim)2(Hbibzim)(HL)]2- 2H2O (1) (HEbibzim = 2,2'-bibenzimidazole, H5L = N,N-bis(phosphonomethyl)aminoacetic acid (HO2CCH2N(CH2PO3H2)2)), wa... The title complex, [Co2(bibzim)(H2bibzim)4]·Co2(H2bibzim)2(Hbibzim)(HL)]2- 2H2O (1) (HEbibzim = 2,2'-bibenzimidazole, H5L = N,N-bis(phosphonomethyl)aminoacetic acid (HO2CCH2N(CH2PO3H2)2)), was synthesized with hydrothermal reactions. The compound crystallizes in triclinic, space group P1 with a = 13.71020(10), b = 14.9165(5), c = 20.9924(5) A, a = 86.344(9), β = 71.214(8), γ = 73.757(7)°, C162HI24Co6N46O18P4, Mr = 3478.52, V = 3900.55(16) A3, Z = 2, Dc = 1.482 g/cm3,μ(MoKa) = 0.747 mm^-1, F(000) = 1784, the final R = 0.0777 and wR = 0.2091 for 13598 observed reflections (I 〉 2σ(I)). X-ray diffraction analysis reveals that there are three crystallographically independent Co(II) atoms in the complex. The complex consists of binuclear coordination cation, binuclear coordination anion, as well as lattice water molecules, which further aggregate into a 3D framework via hydrogen bonding as well as π-π interactions. 展开更多
关键词 crystal engineering hydrogen bonding interactions 2 2'-bibenzimidazole cobalt compound
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Facet Engineering of Advanced Electrocatalysts Toward Hydrogen/Oxygen Evolution Reactions 被引量:12
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作者 Changshui Wang Qian Zhang +7 位作者 Bing Yan Bo You Jiaojiao Zheng Li Feng Chunmei Zhang Shaohua Jiang Wei Chen Shuijian He 《Nano-Micro Letters》 SCIE EI CAS CSCD 2023年第4期97-137,共41页
The electrocatalytic water splitting technology can generate highpurity hydrogen without emitting carbon dioxide,which is in favor of relieving environmental pollution and energy crisis and achieving carbon neutrality... The electrocatalytic water splitting technology can generate highpurity hydrogen without emitting carbon dioxide,which is in favor of relieving environmental pollution and energy crisis and achieving carbon neutrality.Electrocatalysts can effectively reduce the reaction energy barrier and increase the reaction efficiency.Facet engineering is considered as a promising strategy in controlling the ratio of desired crystal planes on the surface.Owing to the anisotropy,crystal planes with different orientations usually feature facet-dependent physical and chemical properties,leading to differences in the adsorption energies of oxygen or hydrogen intermediates,and thus exhibit varied electrocatalytic activity toward hydrogen evolution reaction(HER)and oxygen evolution reaction(OER).In this review,a brief introduction of the basic concepts,fundamental understanding of the reaction mechanisms as well as key evaluating parameters for both HER and OER are provided.The formation mechanisms of the crystal facets are comprehensively overviewed aiming to give scientific theory guides to realize dominant crystal planes.Subsequently,three strategies of selective capping agent,selective etching agent,and coordination modulation to tune crystal planes are comprehensively summarized.Then,we present an overview of significant contributions of facet-engineered catalysts toward HER,OER,and overall water splitting.In particular,we highlight that density functional theory calculations play an indispensable role in unveiling the structure–activity correlation between the crystal plane and catalytic activity.Finally,the remaining challenges in facet-engineered catalysts for HER and OER are provided and future prospects for designing advanced facet-engineered electrocatalysts are discussed. 展开更多
关键词 crystal facet engineering ANISOTROPY Oxygen evolution reaction Hydrogen evolution reaction Theoretical simulations
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Bio-inspired high-efficiency photosystem by synergistic effects of core-shell structured Au@CdS nanoparticles and their engineered location on{001}facets of SrTiO_(3)nanocrystals
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作者 Wenxuan Wang Wenhao Chi +7 位作者 Zhaoyong Zou Pengchao Zhang Kun Wang Ji Zou Hang Ping Jingjing Xie Weimin Wang Zhengyi Fu 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2023年第5期159-168,共10页
Natural photosynthesis,which provides a green and high-efficiency energy conversion path by spatial separation of photogenerated carriers through combined actions of molecules ingeniously arranged in an efficient sola... Natural photosynthesis,which provides a green and high-efficiency energy conversion path by spatial separation of photogenerated carriers through combined actions of molecules ingeniously arranged in an efficient solar nanospace,highlights the importance of rational nanostructure design to realize artificial high-efficiency photosystem.Inspired by these unique features,we constructed a high-efficiency ternary photosystem by selectively decorating the{001}facets of 18-facet SrTiO_(3)with Au@CdS photosensitizers via a green photo-assisted method.Benefiting from the dual-facilitated charge carriers transportation in core-shell structured Au@CdS heterojunction and well-faceted 18-facet SrTiO_(3)nanocrystal,such a photo-catalyst could realize the effective spatial separation of photogenerated electrons and holes.As expected,the 18-facet SrTiO_(3)/Au@CdS photocatalyst exhibits superior activity in visible-light-driven photocatalytic hydrogen evolution(4.61 mmol h^(−1)g^(−1)),166%improvement in comparison with randomly deposited Au@CdS(1.73 mmol h^(−1)g^(−1)).This work offers new insight into the development of green and high-efficiency photocatalytic systems based on the rational nanostructure design by crystal facet engineering. 展开更多
关键词 Au@CdS composites CORE-SHELL 18-facet SrTiO_(3) Photogenerated carrier separation crystal facet engineering Hydrogen production
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Interdiscipline between optoelectronic materials and mechanical sensors:Recent advances of organic triboluminescent compounds and their applications in sensing 被引量:3
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作者 SUN Hao-dong DU Bei-bei +6 位作者 WU Ya-zhang WANG Hai-lan ZHANG Xia-yu WANG Juan ZHANG Si-min WEI Shan-shan YU Tao 《Journal of Central South University》 SCIE EI CAS CSCD 2021年第12期3907-3934,共28页
Triboluminescence,also as known as mechanoluminescence,is an attractive optical behavior that means the light emitted from specific organic and inorganic materials when they are subjected to external forces,such as cr... Triboluminescence,also as known as mechanoluminescence,is an attractive optical behavior that means the light emitted from specific organic and inorganic materials when they are subjected to external forces,such as crushing,deformation,cleaving,vibration.Inorganic triboluminescent materials show great potential for applications in sensing,such as stress sensing,damage detection.However,the triboluminescent mechanism of organic materials should be pushed further as well as their application.In this review,we summarized the history of development and possible mechanism of organic triboluminescent materials,and discussed various applications in sensing field.At the same time,inspired by the existing research progress in inorganic triboluminescent materials,we proposed the flourishing development prospects of organic triboluminescent materials in stress sensors,movement monitoring,imaging stress distribution,visualization of crack propagation,structural diagnosis,and other fields. 展开更多
关键词 TRIBOLUMINESCENCE crystal engineering stress imaging piezoelectric properties
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