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Rational design of planar lamellar energetic crystals via intermolecular interaction engineering: Synergistic mechanisms for balancing energy and safety
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作者 Rupeng Bu 《Defence Technology(防务技术)》 2026年第3期280-299,共20页
Energetic materials face critical challenges in balancing energy density and safety,driving the development of low-sensitivity high-energy materials.Though vital for modern defense and civilian applications,low-sensit... Energetic materials face critical challenges in balancing energy density and safety,driving the development of low-sensitivity high-energy materials.Though vital for modern defense and civilian applications,low-sensitivity high-energy materials remain scarce,with 1,3,5-trinitro-2,4,6-triaminobenzene as the only deployed example.Planar lamellar energetic crystals,which utilize weak interlamellarπ-πstacking for mechanical energy dissipation,have shown significant promise.However,their rational design is constrained by insufficient understanding of intermolecular interaction synergy.This review synthesizes the structural features of planar lamellar energetic crystals,emphasizing three core elements:the single-atomic-thickness planar stacking architecture,the"strong intralamellar and weak interlamellar interaction"paradigm(key to balancing energy density and safety for low-sensitivity high-energy materials,LSHEMs),and the role of molecular planarity in reducing shear slip barriers.It categorizes design strategies into two frameworks:H–bonding dominated(single-component:cross-shaped assembly,strong H–bonding in high symmetric molecules;multi-component methods:tenon-and-mortise,acceptor-donor separation)and other intermolecular interactions(e.g.,π-πstacking-drivenπ-π2max model,π-hole recognition).Case studies in single/multi-component crystals confirm that these strategies tune interaction synergy to achieve target packing motifs.The review highlights that interaction engineering is pivotal for PLEC design,offering a targeted theoretical framework for rational development of LSHEMs(to address the scarcity of practical LSHEMs)and guiding future crystal engineering for energy-safety balanced systems. 展开更多
关键词 Planar lamellar energetic crystals Intermolecular interactions crystal packing Energy-safety balance crystal engineering
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Bulk Crystal Growth and Spectroscopic Properties of Dy^(3+)/RE^(3+)(RE=Tb,Eu)Co-doped Ca_(3)Li_(0.275)Nb_(1.775)Ga_(2.95)O_(12)(CLNGG)Laser Crystals
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作者 YOU Zhenyu CHEN Huibin +4 位作者 JIANG Shuisen SU Zisheng LI Xuhong HUANG Yixiang WANG Yan 《发光学报》 北大核心 2026年第3期463-475,共13页
In this work,five kinds of crystals were successfully synthesized using the Czochralski method for the first time,namely Dy∶Ca_(3)Li_(0.275)Nb_(1.775)Ga_(2.95)O_(12)(CLNGG),Dy,Tb∶CLNGG,Dy,Eu∶CLNGG,Tb∶CLNGG,and Eu... In this work,five kinds of crystals were successfully synthesized using the Czochralski method for the first time,namely Dy∶Ca_(3)Li_(0.275)Nb_(1.775)Ga_(2.95)O_(12)(CLNGG),Dy,Tb∶CLNGG,Dy,Eu∶CLNGG,Tb∶CLNGG,and Eu∶CLNGG.A detailed investigation of spectral features and energy transfer mechanisms in such crystals was conducted by analyzing their optical absorption spectra,excitation and emission spectra,and fluorescence decay curves at ambient tem-perature.Calculations based on the Judd-Ofelt theory further elucidated these features.The results demonstrate that in the Dy^(3+)system,co-doping with Tb^(3+)and Eu^(3+)ions not only enhances the emission cross-sections in the yellow wavelength re-gion but also improves the fluorescence quantum efficiency.These improvements are particularly beneficial for achieving efficient yellow light output from Dy^(3+).Additionally,the studies confirm the occurrence of reciprocal energy transfer be-tween Dy^(3+)and Tb^(3+)ions in Dy,Tb∶CLNGG crystals,whereas unidirectional energy transfer from Dy^(3+)to Eu^(3+)occurs in Dy,Eu∶CLNGG crystals.Based on the obtained research results,Dy,Tb∶CLNGG and Dy,Eu∶CLNGG crystals could be utilized as compelling and potential laser media for diode-pumped all-solid-state yellow lasers. 展开更多
关键词 crystal growth CLNGG crystal Dy^(3+) Tb^(3+)/Eu^(3+)∶CLNGG yellow emission spectral features energy transfer processes
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Monolithic Integration of Redox-Stable Sn-Pb Halide Perovskite Single-Crystalline Films for Durable Near-Infrared Photodetection
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作者 Rajendra Kumar Gunasekaran Jihoon Nam +9 位作者 Myeong-geun Choi Won Chang Choi Sunwoo Kim Doyun Im Yeonghun Yun Yun Hwa Hong Sang Hyeok Ryou Hyungwoo Lee Kwang Heo Sangwook Lee 《Nano-Micro Letters》 2026年第5期1-14,共14页
Tin-lead(Sn-Pb)halide perovskite single crystals combine narrow bandgaps,long carrier diffusion lengths,and low trap densities,positioning them as ideal candidates for near-infrared(NIR)optoelectronics.However,convent... Tin-lead(Sn-Pb)halide perovskite single crystals combine narrow bandgaps,long carrier diffusion lengths,and low trap densities,positioning them as ideal candidates for near-infrared(NIR)optoelectronics.However,conventional growth strategies rely on bulk crystallization at elevated temperatures,leading to uncontrolled nucleation,Sn^(2+)oxidation,and poor compatibility with planar integration.Here,we develop a coordination-engineered crystallization strategy that enables direct,lowtemperature growth of micrometer-thick Sn-Pb single-crystal thin films on device-compatible substrates.By modulating metal-solvent coordination strength using a low-donor number cosolvent system,we delineate a narrow processing window that stabilizes precursor speciation,lowers the nucleation barrier,and guides directional crystal growth under mild thermal conditions(<40℃).The resulting crystal films exhibit smooth morphology,high crystallinity,compositional uniformity,and ultralow trap densities(~3.98×10^(12)cm^(-3)).When integrated into NIR photodetectors,these films deliver high responsivity(0.51 A W^(-1)at 900 nm),specific detectivity up to 3.6×10^(12)Jones,fast response(~188μs),and>25,000 cycles of ambient operational stability.This approach establishes a scalable platform for redox-stable,low-temperature growth of Sn-Pb perovskite crystal films and expands the processing-structure-function landscape for next-generation infrared optoelectronics. 展开更多
关键词 Tin-lead perovskite Near-infrared photodetectors Single-crystal thin films Coordination chemistry Low-temperature crystallization
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Cocrystal engineering for efficient separation of 4-bromo-3-methylphenol:Design of experiments,characterization,crystal structure and calculation
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作者 Chunxiao Wang Shuai Wang +2 位作者 Hongsen Zhang Chao Li Renzhong Qiao 《Chinese Journal of Chemical Engineering》 2026年第1期83-92,共10页
4-Bromo-3-methylphenol(BMP)is an important chemical intermediate with wide applications in the fields of medicine and pesticides.The synthesis of BMP from m-cresol via bromination is easy to carry out on an industrial... 4-Bromo-3-methylphenol(BMP)is an important chemical intermediate with wide applications in the fields of medicine and pesticides.The synthesis of BMP from m-cresol via bromination is easy to carry out on an industrial scale.However,due to the formation of regioisomeric impurities during bromination and the low melting point of BMP,the separation process is prone to the formation of oily substances,resulting in low yield and purity.In this work,a new cocrystallization engineering approach was proposed to separate and purify BMP.Through design of experiments,the cocrystallization process of BMP and triethylenediamine(DABCO)was optimized using a minimum-run resolution IV screening design combined with response surface methodology.In addition,the obtained 2BMP-DABCO powder was characterized by thermal analysis,powder X-ray diffraction,infrared spectroscopy,and scanning electron microscopy.Single crystals of 2BMP-DABCO were grown from acetone by slow evaporation,and detailed structural information was obtained through single-crystal X-ray diffraction.The self-assembly mechanism was further clarified by density functional theory calculations.This study provides a simple,robust,and scalable method for the production of BMP and offers a reference for the separation and purification of phenolic substances. 展开更多
关键词 4-Bromo-3-methylphenol TRIETHYLENEDIAMINE Cocrystallization engineering Design of experiments crystal structure CALCULATIONS
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Effects of Crystal Orientations and Grain Boundaries on Nanoindentation Behavior of γ-TiAl Alloys
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作者 Niu Wenshuai Li Haiyan +5 位作者 Zeng Linghao Cao Hui Chen Wenke Han Chenyang Feng Ruicheng Chen Tao 《稀有金属材料与工程》 北大核心 2026年第4期899-913,共15页
To elucidate the deformation mechanisms ofγ-TiAl,the nanoindentation experiments and crystal plasticity finite element(CPFE)simulation were employed to investigate the effects of crystal orientations and GBs on the m... To elucidate the deformation mechanisms ofγ-TiAl,the nanoindentation experiments and crystal plasticity finite element(CPFE)simulation were employed to investigate the effects of crystal orientations and GBs on the mechanical properties ofγ-TiAl alloys.A crystal plasticity constitutive model was developed,and load-displacement curves,hardness,and Young's modulus were obtained for both single grains and GBs inγ-TiAl alloys.Based on the aforementioned model,this study investigated the distribution patterns of surface morphology around the indentation sites of individual grain and GBs.It also analyzed the cumulative shear strain distribution,slip system activation,and the interaction between GBs and dislocation slip for various crystal orientations.The results indicate that the mechanical response and pileup behavior exhibit significant anisotropy due to the interplay among the indenter geometry,material slip systems,and cumulative shear strain distribution.Moreover,the interaction between GBs and dislocation slip substantially alters dislocation distribution,thereby influencing material flow and playing a critical role in the mechanical response and plastic deformation of the material. 展开更多
关键词 grain boundary NANOINDENTATION ANISOTROPY crystal orientation CPFE
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Designing Optimal Temperature for Multi-directional Forging Process:A Phase-Field Crystal Study
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作者 Song Zhuo Li Huanqing +3 位作者 Tian Xiaolin Kang Xiaolan Hou Hua Zhao Yuhong 《稀有金属材料与工程》 北大核心 2026年第5期1146-1156,共11页
Using multi-directional forging temperature as the independent variable and adopting the dual-mode phase field crystal model,the nucleation modes,reaction mechanisms,and interactions between grain boundaries and dislo... Using multi-directional forging temperature as the independent variable and adopting the dual-mode phase field crystal model,the nucleation modes,reaction mechanisms,and interactions between grain boundaries and dislocations at different temperatures were investigated.Results show that a mapping relationship between process parameters and grain refinement/coarsening is established,and the optimal processing temperature coefficient is 0.23.Compared with the cases with processing temperature coefficient of 0.19,0.20,0.21,0.25,and 0.27,the refinement effect increases by 256.0%,146.0%,113.0%,6.7%,and 52.4%,respectively.Excessively high temperatures lead to grain coarsening due to dislocation annihilation,and the application of strain can reduce the actual melting point of materials.Even if the processing temperature does not exceed the theoretical melting point,remelting and crystallization may still occur,resulting in an overburning phenomenon that reduces internal defects and increases overall grain size.This research is of great significance for the actual forging process design. 展开更多
关键词 phase-field crystal method multi-directional forging temperature grain refinement DISLOCATION
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Crystal structure,thermal analysis,and luminescence properties of six heterocyclic lanthanide complexes
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作者 SONG Zihe ZHAO Jinjin +1 位作者 REN Ning ZHANG Jianjun 《无机化学学报》 北大核心 2026年第1期181-192,共12页
Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'... Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'-bipyridine]were successfully synthesized by the volatilization of the solution at room temperature.The crystal structures of six complexes were determined by single-crystal X-ray diffraction technology.The results showed that the complexes all have a binuclear structure,and the structures contain free ethanol molecules.Moreover,the coordination number of the central metal of each structural unit is eight.Adjacent structural units interact with each other through hydrogen bonds and further expand to form 1D chain-like and 2D planar structures.After conducting a systematic study on the luminescence properties of complexes 1-4,their emission and excitation spectra were obtained.Experimental results indicated that the fluorescence lifetimes of complexes 2 and 3 were 0.807 and 0.845 ms,respectively.The emission spectral data of complexes 1-4 were imported into the CIE chromaticity coordinate system,and their corre sponding luminescent regions cover the yellow light,red light,green light,and orange-red light bands,respectively.Within the temperature range of 299.15-1300 K,the thermal decomposition processes of the six complexes were comprehensively analyzed by using TG-DSC/FTIR/MS technology.The hypothesis of the gradual loss of ligand groups during the decomposition process was verified by detecting the escaped gas,3D infrared spectroscopy,and ion fragment information detected by mass spectrometry.The specific decomposition path is as follows:firstly,free ethanol molecules and neutral ligands are removed,and finally,acidic ligands are released;the final product is the corresponding metal oxide.CCDC:2430420,1;2430422,2;2430419,3;2430424,4;2430421,5;2430423,6. 展开更多
关键词 lanthanide complexes fluorescence property crystal structure thermal analysis
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Broadband high-coherence supercontinuum in Al_(0.24)Ga_(0.76)As photonic crystal fibers
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作者 XIA Yong-tao HOU Shang-lin +4 位作者 FENG Yun-long XIE Cai-jian LEI Jing-li WU Gang YAN Zu-yong 《中国光学(中英文)》 北大核心 2026年第1期164-178,共15页
An alternative elliptical and circle air-hole-assisted Al_(0.24)Ga_(0.76)As photonic crystal fiber(PCF)was proposed for generating broadband high-coherence mid-infrared supercontinuum,and the dispersion,effect-ive mod... An alternative elliptical and circle air-hole-assisted Al_(0.24)Ga_(0.76)As photonic crystal fiber(PCF)was proposed for generating broadband high-coherence mid-infrared supercontinuum,and the dispersion,effect-ive mode area and nonlinear coefficient were investigated by using finite element method(FEM),the evolu-tion of optical pulses propagating along the fiber was simulated,and the supercontinuum and the coherence were analyzed and evaluated under different pumping conditions.The results show that a supercontinuum spectrum with a spectral width of 4.852μm can be obtained in the proposed fiber with d_(1)/Λof 0.125,d_(2)/Λof 0.583 and the zero-dispersion wavelength of 3.228μm by pumping with a Gaussian pulse with a peak power of 800 W and a full width at half maximum(FWHM)of 20 fs at wavelength of 3.3μm.When the fiber is pumped by the pulse with the peak power of 2000 W,the FWHM of 80 fs at the wavelength of 4.0μm in the in the anomalous dispersion region,the modulation instability is obviously suppressed,and the high-coher-ence supercontinuum spectrum spanning from 1.1μm to 8.99μm is observed.A part of the pulse energy is transferred to the anomalous dispersion region when pumped at the wavelength of 2.8μm in the normal dis-persion region and a broadband high-coherence supercontinuum spectrum extending from 0.8μm to 9.8μm is generated in the 10 mm proposed fiber.This paper introduces elliptical air holes in the Al_(0.24)Ga_(0.76)As photonic crystal fiber,which enhances flexibility for tailoring the performance of supercontinuum,ultimately achieving the broadest supercontinuum spectrum with the shortest fiber length to date. 展开更多
关键词 SUPERCONTINUUM photonic crystal fiber COHERENCE Al_(0.24)Ga_(0.76)As
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Synthesis and crystal structure of three cucurbit[6]uril-cadmium supramolecular assemblies
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作者 DING Wenya XU Fangfei +2 位作者 GU Jiayu CHEN Xinran CHEN Kai 《无机化学学报》 北大核心 2026年第4期808-816,共9页
5,5'-dithiobis(2-nitrobenzoic acid)(H_(2)DTNB)was employed as the second ligand to react with cucurbit[6]uril(Q[6])and Cd(NO_(3))_(2),and it was deprotonated or transformed into HDTNB^(-),TNB^(2-)and NSB^(2-)(H_(2... 5,5'-dithiobis(2-nitrobenzoic acid)(H_(2)DTNB)was employed as the second ligand to react with cucurbit[6]uril(Q[6])and Cd(NO_(3))_(2),and it was deprotonated or transformed into HDTNB^(-),TNB^(2-)and NSB^(2-)(H_(2)TNB=5,5'-thiobis(2-nitrobenzoic acid),H_(2)NSB=2-nitro-5-sulfobenzoic acid)under different conditions to afford three novel supramolecular assemblies with the formulas of[Cd(H_(2)O)_(4)(Q[6])](HDTNB)_(2)·3H_(2)O(1),[Cd(H_(2)O)_(6)]_(2)(TNB)_(2)·Q[6]·4H_(2)O(2)and[Cd(H_(2)O)_(5)(NSB)]_(2)·Q[6](3).Singe-crystal diffraction(SC-XRD)analysis revealed that assembly 1 is constructed from 2D[Cd(H_(2)O)_(4)(Q[6])]2+supramolecular layers and HDTNB^(-)supra molecular layers,the structure of assembly 2 is comprised of the 2D{[Cd(H_(2)O)_(6)]_(2)·Q[6]}^(4+)supramolecular layers and 1D TNB^(2-)supramolecular chains,while assembly 3 is built from the 3D Q[6]frameworks with[Cd(H_(2)O)_(5)(NSB)]supramolecular chains filled in the pores.Meanwhile,the noncovalent interactions between the ligands HDTNB^(-)/TNB^(2-)/NSB^(2-)and the outer-surface of Q[6]molecules contributed greatly to the formation of the supramolecular architecture of assemblies 1-3.CCDC:2522253,1;2522254,2;2522255,3. 展开更多
关键词 supramolecular assembly uril CADMIUM crystal structure 5 5'-dithiobis(2-nitrobenzoic acid)
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Precise calibration of liquid crystal variable retarder for various incident angles
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作者 KONG Quan-hui-zi ZHANG Rui +2 位作者 XUE Peng WANG Zhi-bin JING Ning 《中国光学(中英文)》 北大核心 2026年第2期434-444,共11页
This study investigates the reduction in polarization measurement accuracy caused by varying in-cident angles in a liquid crystal variable retarder(LCVR).The phase delay characteristics of the LCVR were examined,with ... This study investigates the reduction in polarization measurement accuracy caused by varying in-cident angles in a liquid crystal variable retarder(LCVR).The phase delay characteristics of the LCVR were examined,with particular emphasis on the influence of different two-dimensional incident angles on phase delay behavior.Building upon the calibration of phase delay under normal incidence,a phase delay calibra-tion model was developed to account for variations in incident angle and driving voltage.A mathematical re-lationship was established between phase delay and the azimuth angle(α)and pitch angle(β).Experimental validation was conducted under three conditions:α=20°,β=0°;α=0°,β=20°;and an arbitrary angle whereα=5°,β=15°.The results demonstrated that the maximum average deviation between theoretical pre-dictions and experimental measurements did not exceed 0.059 rad.The proposed calibration method proved to be both accurate and practical.This approach offers robust support for LCVR parameter calibration and performance optimization in optical systems,particularly in polarization imaging applications. 展开更多
关键词 liquid crystal variable retarder(LCVR) two-dimensional incident angles drive voltage phase delay calibration
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Synthesis and crystal structures of Co(Ⅱ)/Cu(Ⅱ)coordination polymers based on solvent and ligand concentration regulation strategy
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作者 SUN Yinxia LIU Liping +7 位作者 BAI Xue SUN Yu SUN Wanhong DENG Zhepeng CHEN Jianghai WANG Jianjun XU Li ZHANG Shuzhen 《无机化学学报》 北大核心 2026年第2期340-354,共15页
Four distinct coordination polymers(CPs)were successfully synthesized by altering solvent types and adjusting ligand concentrations,and their crystal structures were investigated.[Co(L)(FDCA)(H_(2)O)_(2)]·0.5H_(2... Four distinct coordination polymers(CPs)were successfully synthesized by altering solvent types and adjusting ligand concentrations,and their crystal structures were investigated.[Co(L)(FDCA)(H_(2)O)_(2)]·0.5H_(2)O(1)was synthesized as a 2D structure using Coas the metal source,methanol‑water(4∶6,V/V)as the solvent,and specific concentrations of 2,5‑furandicarboxylic acid(H_(2)FDCA)and 1,3,5‑triimidazole benzene(L).Adjusting to pure water and lowering the concentration of L yielded the 1D chain structure of[Co(HL)2(H_(2)O)_(2)](FDCA)_(2)·6H_(2)O(2).Using Cu(Ⅱ)as the metal source,methanol/water(9∶1,V/V)as the solvent,and specific concentrations of L and H2FDCA,the 1D chain structure of[Cu(L)(FDCA)(H_(2)O)]·2H_(2)O(3)was synthesized.Upon increasing the concentrations of L and H2FDCA,and switching the solvent to pure water,the 1D chain structure of[Cu(HL)_(2)(H_(2)O)_(2)](FDCA)_(2)·6H_(2)O(4)was obtained.This shows that changing the solvent and ligand concentrations can affect the structural changes of CPs.In addition,the solid‑state photoluminescence of CPs 1‑4 at room temperature was studied,and their morphological changes were observed via scanning electron microscopy.Density functional theory calculations revealed that the negative charge concentrates on the O and N atoms of the ligand,facilitating ligand‑metal ion coordination.CCDC:2403934,1;2403935,2;2403936,3;2403938,4. 展开更多
关键词 Co(Ⅱ)/Cu(Ⅱ)coordination polymer crystal structure solvent system ligand concentration regulation strategy
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Al_(2)O_(3)Content Dependency on Microstructure,Crystallization Behavior and Mechanical Properties of Li_(2)O-Al_(2)O_(3)-SiO_(2)Glass-ceramics
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作者 LI Danni CAI Yuyan +5 位作者 ZHENG Chi JIA Xuhe GUO Mengshuo ZHANG Jihong XIE Jun HAN Jianjun 《Journal of Wuhan University of Technology(Materials Science)》 2026年第1期72-83,共12页
In current research,Li_(2)O-Al_(2)O_(3)-SiO_(2)glass-ceramics were prepared by conventional meltquenching and subsequent heat treatment method.The effect of Al_(2)O_(3)content on microstructures,thermal properties,cry... In current research,Li_(2)O-Al_(2)O_(3)-SiO_(2)glass-ceramics were prepared by conventional meltquenching and subsequent heat treatment method.The effect of Al_(2)O_(3)content on microstructures,thermal properties,crystallization behaviours and mechanical properties were investigated.FTIR,Raman spectroscopy and nuclear magnetic resonance spectroscopy microstructure analysis showed that the silico-oxygen network was damaged,while the increase of[AlO_(4)]content repaired the glass network,and finally made the glass network have better connectivity,with the decrease of SiO_(2).The thermal analysis confirmed the increasing glass transition and crystallization temperatures from growing Al_(2)O_(3)content.In addition,different crystal phases can be precipitated in the glass matrix,such as LiAlSi_(4)O_(10),Li_(2)Si_(2)O_(5) in glass with low Al_(2)O_(3)content,the combination of Li_xAl_xSi_(1-x)O_(2),LiAlSi_(3)O_(8),Li_(2)SiO_(3)in glass with intermediate Al_(2)O_(3)content,and the combination of LiAlSi_(2)O_(6),SiO_(2)in glass with high Al_(2)O_(3)content.The hardness of as-prepared glass gradually increases with the increase of the Al_(2)O_(3)content.The Vickers hardness of the glass-ceramics is highly dependent on the Al_(2)O_(3)content in the glass and the heat treatment temperatures,reaching a maximum of 10.11 GPa.Scanning electron microscope images show that the crystals change from spherical to massive and finally to sheet.The change of glass structure,crystal phase and morphology is the main reason for the different mechanical properties. 展开更多
关键词 MICROSTRUCTURE GLASS-CERAMICS crystalLIZATION hardness
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From HgGa_(2)(SeO_(3))_(4) to Hg_(2)Ga(Se_(O)_(3))_(2)F:The first HgI-based selenite birefringent crystal triggered by linear groups and fluoride ions
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作者 Peng-Fei Li Chun-Li Hu +2 位作者 Bo Zhang Jiang-Gao Mao Fang Kong 《Chinese Chemical Letters》 2026年第2期595-599,共5页
Exploring new material systems and enhancing the birefringence of compounds is a highly valuable endeavor.In this study,we introduce a novel method to enhance the birefringence of inorganic compounds by inducing struc... Exploring new material systems and enhancing the birefringence of compounds is a highly valuable endeavor.In this study,we introduce a novel method to enhance the birefringence of inorganic compounds by inducing structural alignment through linear groups and fluoride ions.We report on two new compounds:HgGa_(2)(SeO_(3))_(4) and Hg_(2)Ga(Se_(O)_(3))_(2)F.HgGa_(2)(SeO_(3))_(4) crystallizes in a non-centrosymmetric(NCS)space group,exhibiting a second harmonic generation(SHG)efficiency of approximately 60% that of commercial KH2PO4(KDP),with a birefringence of 0.032@546 nm.Hg_(2)Ga(Se_(O)_(3))_(2)F,on the other hand,crystallizes in a centrosymmetric space(CS)group and represents the first reported HgI-based selenite birefringent material.Due to the influence of the linear group Hg_(2)O_(2),its birefringence is significantly enhanced to 0.111@546 nm,which is 3.5 times that of HgGa_(2)(SeO_(3))_(4).Moreover,both compounds demonstrate high stability and a broad optical transparency window.These findings indicate that Hg_(2)Ga(Se_(O)_(3))_(2)F is a promising candidate for birefringent material in the mid-infrared(MIR)range.Our research provides an innovative strategy for improving the birefringence of compounds. 展开更多
关键词 Optical properties crystal structures SELENITES BIREFRINGENCE Nonlinear optical
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Effect of H_(3)BO_(3)Content on the Crystallization Process,Foaming Behavior and Physical Properties of Foamed Glass-Ceramics Prepared from Waste Glass Fibers
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作者 ZHOU Yu YU Zhiqian +5 位作者 XU Zhaozhi GAO Wenkai LI Jinchang CHEN Lele YUE Yunlong KANG Junfeng 《Journal of Wuhan University of Technology(Materials Science)》 2026年第1期54-63,共10页
Waste glass fibers were used as the main raw materials to prepare foamed glass-ceramics with 0-14 wt%H_(3)BO_(3)as a flux agent.The effects of H_(3)BO_(3)on the crystallization process,foaming behavior,and physical pr... Waste glass fibers were used as the main raw materials to prepare foamed glass-ceramics with 0-14 wt%H_(3)BO_(3)as a flux agent.The effects of H_(3)BO_(3)on the crystallization process,foaming behavior,and physical properties of CaO-MgO-Al_(2)O_(3)-SiO_(2)foamed glass-ceramics were investigated.The results showed that the main crystalline phase of the foamed glass-ceramics was anorthite with diopside as a minor crystalline phase,which exhibited a typical surface crystallization process.The addition of H_(3)BO_(3)modified the surface of glass powders and inhibited crystal precipitation obviously.The low melting point of H_(3)BO_(3)and the decrease of crystallinity jointly promoted the growth of pores,resulting in a reduction of bulk density and an increase in porosity.The compressive strength and thermal conductivity of the samples were linearly related to the bulk density.In particular,the sample added with 10 wt%H_(3)BO_(3)exhibited excellent properties,possessing a low coefficient of thermal conductivity 0.081 W/(m·K)and relatively high compressive strength 3.36 MPa. 展开更多
关键词 foamed glass-ceramics crystalLIZATION flux agent pore structure thermal conductivity
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Temporally stepwise crystallization via dual-additive orchestration:Resolving the crystallinity-domain size paradox for high-efficiency organic photovoltaics
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作者 Huan Wang Zemin He +9 位作者 Xingpeng Liu Jingming Xin Ziqi Geng Kuan Yang Yutong Zhang Yan Zhang Mingzhi Duan Bei Qin Qiuju Liang Jiangang Liu 《Journal of Energy Chemistry》 2026年第1期370-383,I0009,共15页
Achieving simultaneous enhancement of crystallinity and optimal domain size remains a fundamental challenge in organic photovoltaics(OPVs),where conventional crystallization strategies often trigger excessive aggregat... Achieving simultaneous enhancement of crystallinity and optimal domain size remains a fundamental challenge in organic photovoltaics(OPVs),where conventional crystallization strategies often trigger excessive aggregation of small-molecule acceptors.This work pioneers a kinetic paradigm for resolving the crystallinity-domain size trade-off in organic photovoltaics through dual-additive-guided stepwise crystallization.By strategically pairing 1,2-dichlorobenzene(o-DCB,low binding energy to Y6)and 1-fluoronaphthalene(FN,high binding energy),we achieve temporally decoupled crystallization control:o-DCB first mediates donor-acceptor co-crystallization during film formation,constructing a metastable network,whereupon FN induces confined Y6 crystallization within this framework during thermal annealing,refining nanostructure without over-aggregation.Morphology studies reveal that this synergy enhances crystallinity of(100)diffraction peaks by 21%–10%versus single-additive controls(o-DCB/FN alone),while maintaining optimal domain size.These morphological advantages yield balanced carrier transport(μh/μe=1.23),near-unity exciton dissociation(98.53%),and a champion power conversion efficiency(PCE)of 18.08%for PM6:Y6,significantly surpassing single-additive devices(o-DCB:17.20%;FN:17.53%).Crucially,the dual-additive strategy demonstrates universal applicability across diverse active layer systems,achieving an outstanding PCE of 19.27%in PM6:L8-BO-based devices,thereby establishing a general framework for morphology control in high-efficiency OPVs. 展开更多
关键词 Organic photovoltaics Stepwise crystallization Dual additives Carrier transport Morphology
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Commercial Sugar Alcohol Boosts Nucleation and Crystallization Ability of Poly(ethylene succinate)via Combination of Intermolecular Interactions and Epitaxial Templating
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作者 Hao-Ting Yin Dong-Yuan Ye +3 位作者 Wei Zhao Xue-Wei Wei Xiao-Yu Meng Hai-Mu Ye 《Chinese Journal of Polymer Science》 2026年第3期781-791,I0014,共12页
Poly(ethylene succinate)(PES),a promising biodegradable polyester with cost advantages,suffers from inherently slow crystallization kinetics,which severely limits its processability and practical applications.To addre... Poly(ethylene succinate)(PES),a promising biodegradable polyester with cost advantages,suffers from inherently slow crystallization kinetics,which severely limits its processability and practical applications.To address this challenge,this study explored the use of commercially available,low-cost,and food-safe sugar alcohols,including Xylitol(Xy),D-sorbitol(DS),and D-mannitol(DM),as effective nucleating agents for PES.Remarkably,all three polyols significantly enhanced the nucleation and crystallization ability of PES,with DM exhibiting the most pronounced effect.DM increased the crystallization temperature by up to 23.9°C and accelerated the overall crystallization rate by more than 13-fold at only 0.5 wt%loading level.Through a combination of differential scanning calorimetry(DSC),polarized optical microscopy(POM),and wide-angle X-ray diffraction(WAXD)analyses,we revealed that DM promotes PES crystallization via a dual mechanism:epitaxial templating facilitated by excellent lattice matching,and enhanced chain adjustment through intermolecular hydrogen-bonding interactions.In contrast,Xy and DS primarily function through hydrogen-bonding interactions.This work not only identifies DM as a highly efficient,economical,and industrially viable nucleating agent for PES,but also provides fundamental insights into the role of the molecular structure and crystallization ability of nucleating agents in regulating polymer crystallization. 展开更多
关键词 Poly(ethylene succinate) Polyol crystalLIZATION NUCLEATION
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Tetragonal-pseudocubic phase boundaries and octahedral order-disorder tilting transitions facilitate high piezoelectric performance in Bi1/2Na1/2TiO3-based single crystals
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作者 Jialin Niu Yongxing Wei +10 位作者 Yanghuan Deng Changpeng Guan Changqing Jin Leiyang Zhang Ruiyi Jing Zhong Yang Zengyun Jian Zhonghua Dai Zengzhe Xia Roman G.Burkovsky Li Jin 《Advanced Powder Materials》 2026年第1期29-38,共10页
High-performance lead-free piezoelectric single crystals are urgently needed for next-generation actuators and transducers.In this study,we reveal that a compositionally driven tetragonal-pseudocubic(T-PC)phase bounda... High-performance lead-free piezoelectric single crystals are urgently needed for next-generation actuators and transducers.In this study,we reveal that a compositionally driven tetragonal-pseudocubic(T-PC)phase boundary,in conjunction with an octahedral order-disorder tilting transition,significantly enhances the piezoelectric response in Nb^(5+)-substitution(Bi_(0.48)Na_(0.425)K_(0.055)Ba_(0.04))(Ti_(0.98)Nb_(0.02))O_(3)(BNKBT-2Nb)single crystals.The crystal achieves an outstanding piezoelectric coefficient of d33=662 pC/N at room temperature.In situ X-ray diffraction confirms an electric field-induced transition from the PC to T phase.Atomic-resolution HADDF-STEM analysis reveals an increase in the c/a ratio(c/a>1.01)on the local scale and ordered octahe-dral tilting of the a^(0)a^(0)c+type driven by the poling field.The single crystals exhibit excellent piezoelectric per-formance over a broad temperature range,achieving a peak d_(33) of 920 pC/N at approximately 92℃.Furthermore,the polar states exhibit a pronounced frequency dependence near the depolarization temperature.These findings provide critical insight into the structure-property relationship and offer a promising pathway for designing advanced lead-free piezoelectric crystals for functional electromechanical applications. 展开更多
关键词 Single crystals Lead-free Phase boundary Piezoelectricity Oxygen octahedra tilts
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Transmission property of one-dimensional Dirac-semimetal-defected photonic crystal in terahertz multi-bandgap
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作者 Ji-Kai Wang Li Jiang +1 位作者 Xue-Fei Yang Ji-He Zhao 《Chinese Physics B》 2026年第1期498-505,共8页
A symmetrical one-dimensional(1D)photonic crystal structure with a Dirac-emimetal-defected layer is proposed.The material properties of the Dirac semimetal are governed by three key parameters:Fermi level,Fermi veloci... A symmetrical one-dimensional(1D)photonic crystal structure with a Dirac-emimetal-defected layer is proposed.The material properties of the Dirac semimetal are governed by three key parameters:Fermi level,Fermi velocity,and degeneracy factor.Simulation results demonstrate that the proposed structure generates multiple photonic bandgaps within the THz frequency range.In the low-THz region,pronounced resonant transmission peaks emerge,enabling near-perfect filtering performance.The positions of these defect modes can be dynamically tuned by adjusting the Fermi level and degeneracy factor.In mid-and high-THz frequency bands,the Dirac semimetal begins to exhibit metallic behavior,leading to attenuation of the transmission peaks and the appearance of absorption.The elevation of the Fermi level delays the critical threshold for the transition from the dielectric state to the metallic state,while an increase in Fermi velocity suppresses metallic behavior.Therefore,enhancing both the Fermi level and Fermi velocity contributes to strengthening the defect peak intensity.Conversely,increasing the degeneracy factor strengthens the metallic characteristics,thereby disrupting the high-frequency photonic bandgap.Notably,the defect layer thickness and incident angle exert significant influence on the transmission behavior:a larger incident angle causes the defect peak to shift toward higher frequencies and reduces its intensity,whereas a thicker defect layer shifts the defect peak toward lower frequencies.The modulation effects of both parameters become more pronounced as frequency increases.Compared with conventional photonic crystals,our work can provide a tunable structure over transmission properties,offering novel strategies for designing tunable filters and optical sensors. 展开更多
关键词 one-dimensional photonic crystal Dirac semimetal TUNABILITY THz
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Trans-reflective color filters with brilliant colors by integrating organic dyes with photonic crystals
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作者 Shi Li Yong Qi +4 位作者 Wenbin Niu Suli Wu Bingtao Tang Wei Ma Shufen Zhang 《Smart Molecules》 2026年第1期106-117,共12页
Color filters are essential components for optical modulation.However,conventional filters are restricted to operating exclusively in either reflective or transmissive mode.Furthermore,they suffer from limited UV and ... Color filters are essential components for optical modulation.However,conventional filters are restricted to operating exclusively in either reflective or transmissive mode.Furthermore,they suffer from limited UV and thermal stability,low color purity,and exhibit identical coloration on both surfaces.Herein,we propose a novel design strategy for trans-reflective color filters by integrating the absorptive properties of dye-doped polysulfone(PSU)with the diffractive capabilities of photonic crystals.This composite filter achieved broad-spectrum transmission with deep color outputs—yellow(0.410,0.510),magenta(0.446,0.231),and cyan(0.201,0.425)—closely aligned with standard color space coordinates.By tuning the refractive index of CeO_(2)@SiO_(2)nanoparticles to match dye-based PSU matrix,the transmittance of filters exceeded 70%.Moreover,dye-mediated absorption reduces the scattering light,thereby enhancing reflection color purity(full width at half maxima(FWHM)=25 nm)and producing vibrant blue,green,and red hues.The incorporation of UV-absorbing CeO_(2)@SiO_(2)nanoparticles effectively mitigated dye photodegradation,yielding exceptional UV stability(ΔT<2%under prolonged UV exposure).The filters also exhibited outstanding thermal stability(ΔT<1%after 30 min heat treatment at 230°C).This work establishes a robust materials design framework for multifunctional optical filters,advancing the development of highfidelity dual-mode color systems for next-generation display technologies. 展开更多
关键词 DYES photonic crystals stability trans-reflective color filters
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Revisiting the Effect of Reactive Compatibilization on Polymer Crystallization:From Static Suppression to Shear-induced Promotion
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作者 Bao-Gou Wu Xiao-Hu Bing +4 位作者 Qian Ren Lan Ding Ji-Zhang Li Wen-Ge Zheng Long Wang 《Chinese Journal of Polymer Science》 2026年第3期756-767,I0013,共13页
Reactive compatibilization has been widely applied to enhance the compatibility of polymer blends,thereby improving their mechanical properties.However,it generally reduces the chain mobility and regularity,often lead... Reactive compatibilization has been widely applied to enhance the compatibility of polymer blends,thereby improving their mechanical properties.However,it generally reduces the chain mobility and regularity,often leading to slower polymer crystallization.Here,we demonstrate that reactive compatibilization in poly(lactic acid)/poly(butylene adipate-co-terephthalate)(PLA/PBAT)blends unexpectedly promotes PLA matrix crystallization during injection molding,in contrast to the retarded kinetics observed in differential scanning calorimetry isothermal crystallization studies.The phase morphology,rheological behavior,and crystalline structure were systematically analyzed to elucidate markedly different crystallization kinetics under static and shear fields.The potential mechanism underlying crystallization enhancement is attributed to PBAT domain refinement and viscosity increase induced by reactive compatibilization,which,under shear flow,create favorable conditions for crystallization by enhancing PBAT fibril nucleation and retarding the relaxation of oriented PLA chains.This study offers new perspectives on the effect of reactive compatibilization on the polymer crystallization behavior. 展开更多
关键词 Reactive compatibilization crystalLIZATION Static field Shear flow field
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