期刊文献+
共找到30,822篇文章
< 1 2 250 >
每页显示 20 50 100
Hydrophilic-substrate-assisted Fabrication of Flexible and Transparent Au NTOH@PDMS Film for SERS In-situ Detection of Crystal Violet 被引量:1
1
作者 ZHANG Xin-tong LIU Hong-yu +2 位作者 DONG Ming-yuan WANG Li LIN Xiang 《分析测试学报》 北大核心 2025年第3期411-419,共9页
This article presented a facile fabrication process for polydimethylsiloxane(PDMS)composite gold nanotris⁃octahedra(Au NTOH)for a flexible SERS sensor with high sensitivity.Specifically,Au NTOH with excellent SERS beh... This article presented a facile fabrication process for polydimethylsiloxane(PDMS)composite gold nanotris⁃octahedra(Au NTOH)for a flexible SERS sensor with high sensitivity.Specifically,Au NTOH with excellent SERS behaviors was synthesized using a seed-mediated growth method and the dimensions of the Au NTOH was easily tuned.In addition,the influence of size on the SERS performance of their monolayers was systematically investigated,and the Au NTOH with the size of 61 nm possessed the best SERS performance.Importantly,a hydrophilic-substrateassisted interfacial self-assembled monolayer transfer technique was proposed to transfer Au NTOH onto PDMS films,resulting in forming flexible and transparent Au NTOH@PDMS substrates.Furthermore,the excellent signal homoge⁃neity of this substrate was demonstrated and the sensitivity was verified by a measurement of crystal violet(CV)as low as 1×10^(-8) mol/L.As a result,this SERS sensor is progressing for applying in the identification of trace contaminants in broad fields. 展开更多
关键词 Au NTOH PDMS interfacial self-assembly SERS crystal violet
在线阅读 下载PDF
Copper complexes of anthrahydrazone bearing pyridyl side chain:Synthesis,crystal structure,anticancer activity,and DNA binding 被引量:1
2
作者 HUANG Yao WU Yingshu +5 位作者 BAO Zhichun HUANG Yue TANG Shangfeng LIU Ruixue LIU Yancheng LIANG Hong 《无机化学学报》 北大核心 2025年第1期213-224,共12页
To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bisp... To expand the study on the structures and biological activities of the anthracyclines anticancer drugs and reduce their toxic side effects,the new anthraquinone derivatives,9‑pyridylanthrahydrazone(9‑PAH)and 9,10‑bispyridylanthrahydrazone(9,10‑PAH)were designed and synthesized.Utilizing 9‑PAH and 9,10‑PAH as promising anticancer ligands,their respective copper complexes,namely[Cu(L1)Cl_(2)]Cl(1)and{[Cu_(4)(μ_(2)‑Cl)_(3)Cl_(4)(9,10‑PAH)_(2)(DMSO)_(2)]Cl_(2)}_(n)(2),were subsequently synthesized,where the new ligand L1 is formed by coupling two 9‑PAH ligands in the coordination reaction.The chemical and crystal structures of 1 and 2 were elucidated by IR,MS,elemental analysis,and single‑crystal X‑ray diffraction.Complex 1 forms a mononuclear structure.L1 coordinates with Cu through its three N atoms,together with two Cl atoms,to form a five‑coordinated square pyramidal geometry.Complex 2 constitutes a polymeric structure,wherein each structural unit centrosymmetrically encompasses two five‑coordinated binuclear copper complexes(Cu1,Cu2)of 9,10‑PAH,with similar square pyramidal geometry.A chlorine atom(Cl_(2)),located at the symmetry center,bridges Cu1 and Cu1A to connect the two binuclear copper structures.Meanwhile,the two five‑coordinated Cu2 atoms symmetrically bridge the adjacent structural units via one coordinated Cl atom,respectively,thus forming a 1D chain‑like polymeric structure.In vitro anticancer activity assessments revealed that 1 and 2 showed significant cytotoxicity even higher than cisplatin.Specifically,the IC_(50)values of 2 against HeLa‑229 and SK‑OV‑3 cancer cell lines were determined to be(5.92±0.32)μmol·L^(-1)and(6.48±0.39)μmol·L^(-1),respectively.2 could also block the proliferation of HeLa‑229 cells in S phase and significantly induce cell apoptosis.In addition,fluorescence quenching competition experiments suggested that 2 might interact with DNA by an intercalative binding mode,offering insights into its underlying anticancer mechanism.CCDC:2388918,1;2388919,2. 展开更多
关键词 anthrahydrazone metal complex crystal structure anticancer activity cell apoptosis
在线阅读 下载PDF
Synthesis,crystal structure,thermal decomposition mechanism,and fluorescence properties of benzoic acid and 4-hydroxy-2,2′:6′,2″-terpyridine lanthanide complexes
3
作者 HAN Yahui ZHAO Jinjin +1 位作者 REN Ning ZHANG Jianjun 《无机化学学报》 北大核心 2025年第5期969-982,共14页
Two novel lanthanide complexes,[Sm_(2)(BA)_(6)(4-OH-terpy)_(2)]·2H_(2)O·2EtOH(1)and[Pr_(2)(BA)_(6)(4-OH-terpy)_(2)(H_(2)O)_(2)]·HBA·H_(2)O(2),where HBA=benzoic acid,4-OH-terpy=4-hydroxy-2,2'∶6... Two novel lanthanide complexes,[Sm_(2)(BA)_(6)(4-OH-terpy)_(2)]·2H_(2)O·2EtOH(1)and[Pr_(2)(BA)_(6)(4-OH-terpy)_(2)(H_(2)O)_(2)]·HBA·H_(2)O(2),where HBA=benzoic acid,4-OH-terpy=4-hydroxy-2,2'∶6',2″-terpyridine,were successfully synthesized using ultrasonic dissolution and the conventional solution method with two mixed ligands HBA and 4-OH-terpy.During the synthesis,4-OH-terpy was involved in the reaction as a neutral ligand,while HBA,in its deprotonated form(BA-),coordinated with the lanthanide ions as an acidic ligand.The crystal structures of these two complexes were precisely determined by single-crystal X-ray diffraction.Elemental analysis,infrared and Raman spectroscopy,and powder X-ray diffraction techniques were also employed to further explore the physicochemical properties of the two complexes.The single-crystal X-ray diffraction data indicate that,despite their structural differences,both complexes belong to the triclinic crystal system P1 space group.The central lanthanide ions have the same coordination number but exhibit different coordination environments.To comprehensively evaluate the thermal stability of these two complexes,comprehensive tests including thermogravimetric analysis,differential thermogravimetric analysis,differential scanning calorimetry,Fourier transform infrared spectroscopy,and mass spectrometry were conducted.Meanwhile,an in-depth investigation was conducted into the 3D infrared stacked images and mass spectra of the gases emitted from the complexes.In addition,studies of the fluorescence properties of complex1 showed that it exhibited fluorescence emission matching the Sm^(3+)characteristic transition. 展开更多
关键词 lanthanide complexes crystal structure THERMOCHEMISTRY fluorescence spectrum
在线阅读 下载PDF
Effect of PbTiO_(3) Content Variation on High-power Performance of PMN-PT Single Crystal
4
作者 WANG Xiaobo ZHU Yuliang +3 位作者 XUE Wenchao SHI Ruchuan LUO Bofeng LUO Chengtao 《无机材料学报》 北大核心 2025年第7期840-846,I0017,共8页
Lead magnesium niobate-lead titanate(PMN-PT)piezoelectric single crystals are widely utilized due to their outstanding performance,with varying compositions significantly impacting their properties.While application o... Lead magnesium niobate-lead titanate(PMN-PT)piezoelectric single crystals are widely utilized due to their outstanding performance,with varying compositions significantly impacting their properties.While application of PMN-PT in high-power settings is rapidly evolving,material parameters are typically tested under low signal conditions(1 V),and effects of different PT(PbTiO_(3))contents on the performance of PMN-PT single crystals under high-power conditions remain unclear.This study developed a comprehensive high-power testing platform using the constant voltage method to evaluate performance of PMN-PT single crystals with different PT contents under high-power voltage stimulation.Using crystals sized at 10 mm×3 mm×0.5 mm as an example,this research explored changes in material parameters.The results exhibit that while trend of the parameter changes under high-power excitation was consistent across different PT contents,degree of the change varied significantly.For instance,a PMN-PT single crystal with 26%(in mol)PT content exhibited a 25%increase in the piezoelectric coefficient d_(31),a 13%increase in the elastic compliance coefficient s_(11)^(E),a 17%increase in the electromechanical coupling coefficient k_(31),and a 73%decrease in the mechanical quality factor Q_(m) when the power reached 7.90 W.As the PT content increased,the PMN-PT materials became more susceptible to temperature influences,significantly reducing the power tolerance and more readily reaching the depolarization temperatures.This led to loss of piezoelectric performance.Based on these findings,a clearer understanding of impact of PT content on performance of PMN-PT single crystals under high-power applications has been established,providing reliable data to support design of sensors or transducers using PMN-PT as the sensitive element. 展开更多
关键词 piezoelectric single crystal PMN-PT high-power testing constant voltage method material parameter
在线阅读 下载PDF
In situ synthesis,crystal structure,and magnetic characterization of a trinuclear copper complex based on a multi-substituted imidazo[1,5-a]pyrazine scaffold
5
作者 WANG Zhaodong 《无机化学学报》 北大核心 2025年第3期597-604,共8页
A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]py... A trinuclear copper complex [Cu_(3)(L2)_(2)(SO_(4))_(2)(H_(2)O)_(7)]·8H_(2)O(1)(HL2=1-hydroxy-3-(pyrazin-2-yl)-N-(pyrazin-2-ylmethyl)imidazo[1,5-a]pyrazine-8-carboxamide) with a multi-substituted imidazo[1,5-a]pyrazine scaffold was serendipitously prepared from the reaction of the pro-ligand of H_(2)L1(N,N'-bis(pyrazin-2-ylmethyl)pyrazine-2,3-dicarboxamide) with CuSO_(4)·5H_(2O) in aqueous solution at room temperature.Complex 1 was characterized by IR,single-crystal X-ray analysis,and magnetic susceptibility measurements.Single-crystal X-ray analysis reveals that the complex consists of three Cu(Ⅱ) ions,two in situ transformed L2~-ligands,two coordinated sulfates,seven coordinated water molecules,and eight uncoordinated water molecules.Magnetic susceptibility measurement indicates that there are obvious ferromagnetic coupling interactions between the adjacent Cu(Ⅱ) ions in 1.CCDC:1852713. 展开更多
关键词 amide ligand copper complex single crystal structure C-N coupling magnetic characterization
在线阅读 下载PDF
Optimizing the generation of second harmonic optical vortices from nonlinear photonic crystals
6
作者 LIU Shiqiang ZHANG Xinyu +4 位作者 CHEN Yan LI Shifeng ZHAO Gang ZHU Shining HU Xiaopeng 《物理学进展》 北大核心 2025年第4期161-168,共8页
The generation of optical vortices from nonlinear photonic crystals(NPCs)with spatially modulated second-order nonlinearity offers a promising approach to extend the working wavelength and topological charge of vortex... The generation of optical vortices from nonlinear photonic crystals(NPCs)with spatially modulated second-order nonlinearity offers a promising approach to extend the working wavelength and topological charge of vortex beams for various applications.In this work,the second harmonic(SH)optical vortex beams generated from nonlinear fork gratings under Gaussian beam illumination are numerically investigated.The far-field intensity and phase distributions,as well as the orbital angular momentum(OAM)spectra of the SH beams,are analyzed for different structural topological charges and diffraction orders.Results reveal that higher-order diffraction and larger structural topological charges lead to angular interference patterns and non-uniform intensity distributions,deviating from the standard vortex profile.To optimize the SH vortex quality,the effects of the fundamental wave beam waist,crystal thickness,and grating duty cycle are explored.It is shown that increasing the beam waist can effectively suppress diffraction order interference and improve the beam’s quality.This study provides theoretical guidance for enhancing the performance of nonlinear optical devices based on NPCs. 展开更多
关键词 optical vortex nonlinear photonic crystal second harmonic generation orbital angular momentum
在线阅读 下载PDF
Optical memory behavior of MoS_(2) nanoflakes doped liquid crystals hybrid
7
作者 GONG Xiaohui ZHANG Hao +1 位作者 YANG Dongfang LIU Yang 《液晶与显示》 北大核心 2025年第5期665-673,共9页
The memory behavior in liquid crystals(LCs)that is characterized by low cost,large area,high speed,and high-density memory has evolved from a mere scientific curiosity to a technology that is being applied in a variet... The memory behavior in liquid crystals(LCs)that is characterized by low cost,large area,high speed,and high-density memory has evolved from a mere scientific curiosity to a technology that is being applied in a variety of commodities.In this study,we utilized molybdenum disulfide(MoS_(2))nanoflakes as the guest in a homotropic LCs host to modulate the overall memory effect of the hybrid.It was found that the MoS₂nanoflakes within the LCs host formed agglomerates,which in turn resulted in an accelerated response of the hybrids to the external electric field.However,this process also resulted in a slight decrease in the threshold voltage.Additionally,it was observed that MoS₂nanoflakes in a LCs host tend to align homeotropically under an external electric field,thereby accelerating the refreshment of the memory behavior.The incorporation of a mass fraction of 0.1%2μm MoS₂nanoflakes into the LCs host was found to significantly reduce the refreshing memory behavior in the hybrid to 94.0 s under an external voltage of 5 V.These findings illustrate the efficacy of regulating the rate of memory behavior for a variety of potential applications. 展开更多
关键词 optical memory behavior MoS_(2)nanoflake liquid crystal
在线阅读 下载PDF
Syntheses,crystal structures,and diametrically opposed mechanically-stimulated luminescence response of two Mg(Ⅱ)metal-organic frameworks
8
作者 CHEN Yukun FENG Kexin +2 位作者 ZHANG Bolun SONG Wentao ZHANG Jianjun 《无机化学学报》 北大核心 2025年第6期1227-1234,共8页
The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and... The reaction of Mg^(2+)and 5-{1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl}terephthalic acid(H_(2)L)leads to two metal-organic frameworks,[Mg(L)(DMF)_(2)(H_(2)O)_(2)]_(2)·5DMF·2H_(2)O(1)with a 1D structure and[Mg_(2)(L)_(2)(DMSO)_(3)(H_(2)O)](2)with a 2D(4,4)-net structure.Interestingly,the two compounds exhibit distinct luminescent responses to external mechanical stimuli.1 exhibited exceptional resistance mechanical chromic luminescence(RMCL),which can be attributed to the predominant hydrogen bonds and the presence of high-boiling-point solvent molecules within its structure.2 had a reversible MCL property,which can be attributed to the dominantπ-πweak interactions,coupled with the reversible destruction/restoration of its crystallinity under grinding/fumigation.CCDC:2410963,1;2410964,2. 展开更多
关键词 metal-organic framework crystal structure mechanical chromic luminescence resistance mechanical chromic luminescence weak interaction
在线阅读 下载PDF
Patterned Three-Dimensional Photonic Crystal Structures Based on Paper Substrates
9
作者 WANG Ye-qi LI Xiu +1 位作者 HUANG Min LIU Yu 《印刷与数字媒体技术研究》 北大核心 2025年第4期62-69,共8页
In the printing industry,the common method of coloring relies on inks,which contains amounts of chemical agents,causing environment pollution.However,structural color achieves coloration through the refraction and dif... In the printing industry,the common method of coloring relies on inks,which contains amounts of chemical agents,causing environment pollution.However,structural color achieves coloration through the refraction and diffraction of light by periodic structure,offering eco-friendly and fade-resistant advantages,as well as colorful.In this study,screen printing was used to create patterned mask on paper substrates.Then,coated SiO_(2)microspheres on the mask to create structural color patterns with angle-dependent color characteristics.The patterns showed color changes from rose-red to orange to green by changing the viewing angle.By changing the color grayscale,the absorption of stray light by the substrate was enhanced,thereby the brightness and saturation of the structural color improved too.This method is simple,cost-effective,and environmentally friendly,and it has highly promising for the application in printing and anti-counterfeiting. 展开更多
关键词 Photonic crystal Structural color Screen printing SiO_(2)microsphere Environmental protection
在线阅读 下载PDF
Syntheses,crystal structures,and characterizations of two cadmium(Ⅱ)coordination polymers
10
作者 LI Xiumei LI Linlin +1 位作者 LIU Bo PAN Yaru 《无机化学学报》 北大核心 2025年第3期613-623,共11页
Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfull... Two new transition-metal coordination polymers,{[Cd(oba)(L)_(2)]·H_(2)O}_n(1)and[Cd(4-nph)(L)_(2)]_n(2)(H_(2)oba=4,4'-oxydibenzoic acid,4-H_(2)nph=4-nitrophthalic acid,L=2,2'-biimidazole),were successfully synthesized under hydrothermal conditions and characterized structurally by IR spectroscopy,elemental analyses,single-crystal X-ray diffraction,powder X-ray diffraction,and thermogravimetric analysis.The results of single-crystal X-ray diffraction show that complex 1 presents a 1D zigzag chain structure and further extends to a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.Meanwhile,complex 2 has a zero-dimensional structure and also extends to form a 2D network through N—H…O hydrogen bonds andπ-πstacking interactions.In addition,both 1and 2 exhibited luminescent properties in the solid state.Furthermore,quantum chemical calculations were carried out on the"molecular fragments"extracted from the crystal structures of 1 and 2 using the PBE0/LANL2DZ method constructed by the Gaussian 16 program.The calculated values signify a significant covalent interaction between the coordination atoms and the Cd(Ⅱ)ions.CCDC:2332173,1;2332176,2. 展开更多
关键词 coordination polymer cadmium(Ⅱ)complex crystal structure quantum⁃chemical calculations
在线阅读 下载PDF
Visible to near-infrared photodetector based on organic semiconductor single crystal
11
作者 LI Xiang HU Jin-Han +7 位作者 ZHONG Zhi-Peng CHEN Yu-Zhong WANG Zhi-Qiang SONG Miao-Miao WANG Yang ZHANG Lei LI Jian-Feng HUANG Hai 《红外与毫米波学报》 北大核心 2025年第1期46-51,共6页
Organic semiconductor materials have shown unique advantages in the development of optoelectronic devices due to their ease of preparation,low cost,lightweight,and flexibility.In this work,we explored the application ... Organic semiconductor materials have shown unique advantages in the development of optoelectronic devices due to their ease of preparation,low cost,lightweight,and flexibility.In this work,we explored the application of the organic semiconductor Y6-1O single crystal in photodetection devices.Firstly,Y6-1O single crystal material was prepared on a silicon substrate using solution droplet casting method.The optical properties of Y6-1O material were characterized by polarized optical microscopy,fluorescence spectroscopy,etc.,confirming its highly single crystalline performance and emission properties in the near-infrared region.Phototransistors based on Y6-1O materials with different thicknesses were then fabricated and tested.It was found that the devices exhibited good visible to near-infrared photoresponse,with the maximum photoresponse in the near-infrared region at 785 nm.The photocurrent on/off ratio reaches 10^(2),and photoresponsivity reaches 16 mA/W.It was also found that the spectral response of the device could be regulated by gate voltage as well as the material thickness,providing important conditions for optimizing the performance of near-infrared photodetectors.This study not only demonstrates the excellent performance of organic phototransistors based on Y6-1O single crystal material in near-infrared detection but also provides new ideas and directions for the future development of infrared detectors. 展开更多
关键词 near-infrared photodetector organic semiconductor Y6-1O single crystal spectral response
在线阅读 下载PDF
Co-enhancement of doped N and oxygen vacancies on the photocatalytic performance of ceria:Mechanism and influence of crystal faces
12
作者 WANG Fan LI Jun-qi +3 位作者 MURALI Arun CHEN Chao-yi ZHANG Wei LAN Yuan-pei 《Journal of Central South University》 2025年第6期2129-2147,共19页
Nitrogen doping has significant effects on the photocatalytic performance of ceria(CeO_(2)),and the possible synergistic effect with the inevitably introduced abundant oxygen vacancies(OVs)is of great significance for... Nitrogen doping has significant effects on the photocatalytic performance of ceria(CeO_(2)),and the possible synergistic effect with the inevitably introduced abundant oxygen vacancies(OVs)is of great significance for further investigation,and the specifically exposed crystal faces of CeO_(2)may have an impact on the performance of nitrogen doped CeO_(2).Herein,nitrogen-doped CeO_(2)with different morphologies and exposed crystal faces was prepared,and its performances in the photocatalytic degradation of tetracycline(TC)or hydrogen production via water splitting were evaluated.Density functional theory(DFT)was used to simulate the band structures,density of states,and oxygen defect properties of different CeO_(2)structures.It was found that nitrogen doping and OVs synergistically promoted the catalytic activity of nitrogen-doped CeO_(2).In addition,the exposed crystal faces of CeO_(2)have significant effects on the introduction of nitrogen and the ease of OV generation,as well as the synergistic effect of nitrogen doping with OVs.Among them,the rod-like nitrogen-doped CeO_(2)with exposed(110)face(R-CeO_(2)-NH_(3))showed a photocatalytic degradation ratio of 73.59%for TC and hydrogen production of 156.89μmol/g,outperforming other prepared photocatalysts. 展开更多
关键词 nitrogen doping CeO 2 oxygen vacancies synergistic effect crystal faces PHOTOCATALYSIS
在线阅读 下载PDF
Mechanism and application of seed-induced goethite crystal growth for iron removal from rich-zinc solution
13
作者 ZHU Qiang YANG Jian-guang +5 位作者 NAN Tian-xiang ZENG Wei-zhi TANG Shi-yang LIU Jiang ZHANG Yan TANG Chao-bo 《Journal of Central South University》 2025年第3期837-852,共16页
The goethite residue generated from zinc hydrometallurgy is classified as hazardous solid waste,produced in large quantities,and results in significant zinc loss.The study was conducted on removing iron from FeSO_(4)-... The goethite residue generated from zinc hydrometallurgy is classified as hazardous solid waste,produced in large quantities,and results in significant zinc loss.The study was conducted on removing iron from FeSO_(4)-ZnSO_(4) solution,employing seed-induced nucleation methods.Analysis of the iron removal rate,residue structure,morphology,and elemental composition involved ICP,XRD,FT-IR,and SEM.The existing state of zinc was investigated by combining step-by-step dissolution using hydrochloric acid.Concurrently,iron removal tests were extended to industrial solutions to assess the influence of seeds and solution pH on zinc loss and residue yield.The results revealed that seed addition increased the iron removal rate by 3%,elevated the residual iron content by 6.39%,and mitigated zinc loss by 29.55%in the simulated solution.Seed-induced nucleation prevented excessive nuclei formation,fostering crystal stable growth and high crystallinity.In addition,the zinc content of surface adsorption and crystal internal embedding in the residue was determined,and the zinc distribution on the surface was dense.In contrast,the total amount of zinc within the crystal was higher.The test results in the industrial solution demonstrated that the introduction of seeds expanded the pH range for goethite formation and growth,and the zinc loss per ton of iron removed was reduced by 50.91 kg(34.12%)and the iron residue reduced by 0.17 t(8.72%). 展开更多
关键词 iron removal crystal growth homogeneous and heterogeneous nucleation goethite process zinc hydrometallurgy
在线阅读 下载PDF
π-π2max:Bridging molecular characteristics to crystal packing in nitro-containing two-dimensional energetic materials
14
作者 Xiaokai He Chao Chen +4 位作者 Zhixiang Zhang Linyuan Wen Yiding Ma Yilin Cao Yingzhe Liu 《Defence Technology(防务技术)》 2025年第7期192-202,共11页
Two-dimensional energetic materials(2DEMs),characterized by their exceptional interlayer sliding properties,are recognized as exemplar of low-sensitivity energetic materials.However,the diversity of available 2DEMs is... Two-dimensional energetic materials(2DEMs),characterized by their exceptional interlayer sliding properties,are recognized as exemplar of low-sensitivity energetic materials.However,the diversity of available 2DEMs is severely constrained by the absence of efficient methods for rapidly predicting crystal packing modes from molecular structures,impeding the high-throughput rational design of such materials.In this study,we employed quantified indicators,such as hydrogen bond dimension and maximum planar separation,to quickly screen 172DEM and 16 non-2DEM crystal structures from a crystal database.They were subsequently compared and analyzed,focusing on hydrogen bond donor-acceptor combinations,skeleton features,and intermolecular interactions.Our findings suggest that theπ-πpacking interaction energy is a key determinant in the formation of layered packing modes by planar energetic molecules,with its magnitude primarily influenced by the strongest dimericπ-πinteraction(π-π2max).Consequently,we have delineated a critical threshold forπ-π2max to discern layered packing modes and formulated a theoretical model for predictingπ-π2max,grounded in molecular electrostatic potential and dipole moment analysis.The predictive efficacy of this model was substantiated through external validation on a test set comprising 31 planar energetic molecular crystals,achieving an accuracy of 84%and a recall of 75%.Furthermore,the proposed model shows superior classification predictive performance compared to typical machine learning methods,such as random forest,on the external validation samples.This contribution introduces a novel methodology for the identification of crystal packing modes in 2DEMs,potentially accelerating the design and synthesis of high-energy,low-sensitivity 2DEMs. 展开更多
关键词 Two-dimensionalenergeticmaterials Maximum planar separation Hydrogen bond dimension Hydrogen bond donor-acceptor π-πinteraction energy prediction crystal packing modes identification
在线阅读 下载PDF
CDBS:基于CRYSTALS-Dilithium算法的盲签名方案 被引量:2
15
作者 杨亚涛 常鑫 +2 位作者 史浩鹏 王伟 王克 《通信学报》 EI CSCD 北大核心 2024年第7期184-195,共12页
为了应对传统盲签名方案在用户端、签名方和验证者交互过程中无法抵御量子计算攻击的这一难题,以NIST选定的后量子数字签名算法CRYSTALS-Dilithium为基础框架,设计了一种新型抗量子计算攻击的盲签名方案CDBS。整体方案采用Fiat-Shamir... 为了应对传统盲签名方案在用户端、签名方和验证者交互过程中无法抵御量子计算攻击的这一难题,以NIST选定的后量子数字签名算法CRYSTALS-Dilithium为基础框架,设计了一种新型抗量子计算攻击的盲签名方案CDBS。整体方案采用Fiat-Shamir签名结构,包括密钥生成、盲化、签名、去盲和验证5个阶段,方案内部结合拒绝采样技术防止密钥泄露,使用NTT算法优化多项式计算以提高签名和验证效率。分析表明,所提方案安全性依赖于模误差学习(MLWE)问题和小整数解(SIS)问题,同时满足正确性、盲性和不可伪造性。与其他基于格的盲签名方案相比,所提方案具有较高的安全性,且签名生成过程更高效,占用开销更小。在相同样本参数设置下,所提方案整体开销仅为MBS方案的67.1%。经软件测试验证,实现一次完整的盲签名和验证过程平均仅需657.65μs。所提方案为CRYSTALS-Dilithium数字签名算法的拓展应用提供了参考。 展开更多
关键词 盲签名 数字签名 crystalS-Dilithium 后量子密码
在线阅读 下载PDF
Crystal-Kyber算法的FPGA高效并行优化 被引量:2
16
作者 吕顺森 李斌 +2 位作者 翟嘉琪 李松岐 周清雷 《电子学报》 EI CAS CSCD 北大核心 2024年第5期1679-1689,共11页
多项式乘法运算制约着基于格的后量子密码在现实中的应用.为提高后量子密码Crystal_Kyber算法的性能效率,减少运行时间,降低多项式乘法的影响,本文设计了一种新的蝶形运算单元对素模q=3329的Kyber方案进行优化.首先,采用16路并行调度新... 多项式乘法运算制约着基于格的后量子密码在现实中的应用.为提高后量子密码Crystal_Kyber算法的性能效率,减少运行时间,降低多项式乘法的影响,本文设计了一种新的蝶形运算单元对素模q=3329的Kyber方案进行优化.首先,采用16路并行调度新型蝶形运算单元的方式执行算法,缩短了计算周期;其次,使用流水线技术以及改进的K2RED算法,设计实现新型蝶形运算单元,用于降低资源消耗;最后,利用多RAM的方式存储数据,并且多通道优化RAM,允许数据交替存储在RAM中,提高资源复用率.实验结果表明,本文优化后的数论变换(Number Theoretic Transform,NTT)、逆数论变换(Inverse NTT,INTT)、点对位相乘(Point-Wise Multiplication,PWM)的效率达到200 MHz,合并执行Kyber效率达到175 MHz,优于其他方案,具有良好的性能. 展开更多
关键词 后量子密码 crystal-Kyber K2RED 蝶形运算 多项式乘法 硬件效率
在线阅读 下载PDF
Regulating crystal phase of TiO_(2) to enhance catalytic activity of Ni/TiO_(2) for solar-driven dry reforming of methane 被引量:2
17
作者 HE Zhanjun GONG Kun +3 位作者 DAI Yuanyuan NIU Qiang LIN Tiejun ZHONG Liangshu 《燃料化学学报(中英文)》 EI CAS CSCD 北大核心 2024年第9期1203-1213,共11页
Ni/TiO_(2) catalyst is widely employed for photo-driven DRM reaction while the influence of crystal structure of TiO_(2) remains unclear.In this work,the rutile/anatase ratio in supports was successfully controlled by... Ni/TiO_(2) catalyst is widely employed for photo-driven DRM reaction while the influence of crystal structure of TiO_(2) remains unclear.In this work,the rutile/anatase ratio in supports was successfully controlled by varying the calcination temperature of anatase-TiO_(2).Structural characterizations revealed that a distinct TiO_(x) coating on the Ni nanoparticles(NPs)was evident for Ni/TiO_(2)-700 catalyst due to strong metal-support interaction.It is observed that the TiOx overlayer gradually disappeared as the ratio of rutile/anatase increased,thereby enhancing the exposure of Ni active sites.The exposed Ni sites enhanced visible light absorption and boosted the dissociation capability of CH4,which led to the much elevated catalytic activity for Ni/TiO_(2)-950 in which rutile dominated.Therefore,the catalytic activity of solar-driven DRM reaction was significantly influenced by the rutile/anatase ratio.Ni/TiO_(2)-950,characterized by a predominant rutile phase,exhibited the highest DRM reactivity,with remarkable H_(2) and CO production rates reaching as high as 87.4 and 220.2 mmol/(g·h),respectively.These rates were approximately 257 and 130 times higher,respectively,compared to those obtained on Ni/TiO_(2)-700 with anatase.This study suggests that the optimization of crystal structure of TiO_(2) support can effectively enhance the performance of photothermal DRM reaction. 展开更多
关键词 dry reforming of methane photothermal catalysis crystal phase TiO_(2) metal-support interaction
在线阅读 下载PDF
Syntheses,crystal structures,and quantum chemistry calculation of two Ni(Ⅱ)coordination polymers 被引量:2
18
作者 LI Xiumei HUANG Yanju +1 位作者 LIU Bo PAN Yaru 《无机化学学报》 SCIE CAS CSCD 北大核心 2024年第10期2031-2039,共9页
Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmeth... Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmethyl)butane(bib)by a hydrothermal method,respectively.X⁃ray crystallography reveals a 2D network constructed by six⁃coordinated Ni(Ⅱ)centers,bib,and Hpdc2-ligands in complex 1,while a 2D network is built by Ni(Ⅱ)and bib ligands in 2.Furthermore,the quantum⁃chemical calculations have been performed on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method in Gaussian 16 and the VASP program.CCDC:2343794,1;2343798,2. 展开更多
关键词 coordination polymer nickel(Ⅱ)complex crystal structure quantum⁃chemical calculation
在线阅读 下载PDF
Application and optimization design of non-obstructive particle damping-phononic crystal vibration isolator in viaduct structure-borne noise reduction 被引量:1
19
作者 SHI Duo-jia ZHAO Cai-you +3 位作者 ZHANG Xin-hao ZHENG Jun-yuan WEI Na-chao WANG Ping 《Journal of Central South University》 SCIE EI CAS CSCD 2024年第7期2513-2531,共19页
The problems associated with vibrations of viaducts and low-frequency structural noise radiation caused by train excitation continue to increase in importance.A new floating-slab track vibration isolator-non-obstructi... The problems associated with vibrations of viaducts and low-frequency structural noise radiation caused by train excitation continue to increase in importance.A new floating-slab track vibration isolator-non-obstructive particle damping-phononic crystal vibration isolator is proposed herein,which uses the particle damping vibration absorption technology and bandgap vibration control theory.The vibration reduction performance of the NOPD-PCVI was analyzed from the perspective of vibration control.The paper explores the structure-borne noise reduction performance of the NOPD-PCVIs installed on different bridge structures under varying service conditions encountered in practical engineering applications.The load transferred to the bridge is obtained from a coupled train-FST-bridge analytical model considering the different structural parameters of bridges.The vibration responses are obtained using the finite element method,while the structural noise radiation is simulated using the frequency-domain boundary element method.Using the particle swarm optimization algorithm,the parameters of the NOPD-PCVI are optimized so that its frequency bandgap matches the dominant bridge structural noise frequency range.The noise reduction performance of the NOPD-PCVIs is compared to the steel-spring isolation under different service conditions. 展开更多
关键词 non-obstructive particle damping phononic crystal vibration isolator band gap optimization floating-slab track bridge structure-borne noise control particle swarm optimization
在线阅读 下载PDF
Effect of fermented polypeptide of Sacha Inchi(Plukenetia volubilis L.)on the structure of liquid crystal emulsion
20
作者 Xiaochun Liu Tingting Luo +2 位作者 Jie Dai Laicheng Chen Qiuxing He 《日用化学工业(中英文)》 CAS 北大核心 2024年第12期1456-1464,共9页
In order to study the action mechanism of Sacha Inchi polypeptide in liquid crystal emulsion,oil-in-water liquid crystal emulsions with Sacha Inchi fermented polypeptide as the active component were prepared.The micro... In order to study the action mechanism of Sacha Inchi polypeptide in liquid crystal emulsion,oil-in-water liquid crystal emulsions with Sacha Inchi fermented polypeptide as the active component were prepared.The microstructures,particle sizes,stabilities,thermodynamic properties,and rheological properties of liquid crystal emulsions with different concentrations of the fermentation products were observed by Polarizing microscope,Particle size meter,Thermogravimetric differential thermal synchronous measurement system,and Rheometer,respectively.The results showed that the average particle size of fermented peptide liquid crystal emulsion was(25.7±2.8)μm,and the liquid crystal structure was complete and stable.The content of bound water and liquid crystal in the emulsion with 1%Sacha Inchi polypeptide were higher than those in the blank emulsion and the emulsions with 3%and 5%Sacha Inchi polypeptide.Rheological results indicated that the viscosity of liquid crystal emulsion with the change curve of shear rate registered the shear thinning phenomenon,which belongs to non-Newtonian fluid.The hysteresis area,energy storage modulus,and loss modulus of the 1%additive amount of liquid crystal emulsion were larger than those of the blank emulsion and the emulsions with 3%and 5%Sacha Inchi polypeptide,indicating greater thixotropy and stronger shear resistance.The hydrophilic amino acid residues of the peptide in the 1%additive amount of the emulsion were combined with the water phase,while the hydrophobic amino acid residues of the peptide entered the oil phase,which formed a viscoelastic film at the oil-water interface,so that the liquid crystal emulsion had a more stable gel network structure. 展开更多
关键词 Sacha Inchi polypeptide liquid crystal emulsion liquid crystal structure RHEOLOGY
在线阅读 下载PDF
上一页 1 2 250 下一页 到第
使用帮助 返回顶部