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Improving the effects of laser hardening of steels by applying a longitudinally torsional ultrasonic field
摘要： The paper is devoted to the expediency of using ultrasonic treatment in combination with laser hardening for U8, U10, X12M steels and the study of the effect of ultrasonic longitudinal and torsional acoustic vibrations on the intensification of an increase in the concentration of point defects in the crystal structure. The introduction of a longitudinal and torsional ultrasonic field by transforming longitudinal ultrasonic vibrations made it possible to form a highly concentrated effect, which led to an increase in the effects of laser hardening.
关键词： ultrasonic treatment,crystal structure,steels,laser hardening,longitudinal and torsional acoustic vibrations
更新于2025-09-16 10:30:52
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Aspects of the Formation of Tin Oxide under Annealing of Nanopowders Obtained by Pulsed Laser Ablation of Metallic Tin in Aqueous Media
摘要： Nanocolloids, obtained by pulsed laser ablation (Nd:YAG laser, 1064 nm, 7 ns, 150 mJ) of metallic Sn in distilled water and also in solutions of hydrogen peroxide and nitric acid, were dried and subjected to heat treatment at different temperatures up to 800°С. It has been shown that addition of H2O2 or HNO3 has an effect not only on the size characteristics and structure of the initial nanoparticles, but also on the process of formation and the final characteristics of SnO2 under annealing. By the method of powder x-ray diffraction it was established that in the case of pulsed laser ablation in water and in a solution of nitric acid, the initial particles contain the phase SnO, but for annealed sample obtained by ablation in HNO3, an intermediate orthorhombic phase of SnO2 is formed. Additional studies using Raman spectroscopy and thermal analysis made it possible to determine the presence of tin hydroxide in the initial samples and formation of intermediate forms of its oxides, SnOx, upon annealing.
关键词： pulsed laser ablation,nanoparticles,tin oxide,Raman spectra,crystal structure,annealing
更新于2025-09-12 10:27:22
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Structural Origins of Light-Induced Phase Segregation in Organic-Inorganic Halide Perovskite Photovoltaic Materials
摘要： Light-induced phase segregation in mixed-halide perovskite photovoltaic materials results in the formation of low-band-gap regions that limit the voltage of devices. This work explores the dependence of this light instability on crystal structure and maps it across the cubic-tetragonal solvus in the (CsyFA1?y)Pb(BrxI1?x)3 phase diagram.
关键词： organic-inorganic halide perovskite,cubic-tetragonal solvus,photovoltaic materials,light-induced phase segregation,crystal structure
更新于2025-09-12 10:27:22
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Organic-inorganic Hybrid Clusters Assembled from Phosphomolybdate Anions and Thioarylated Tetrathiafulvalenes with Diversiform Electron States and Configurations
摘要： A series of organic–inorganic hybrid clusters comprising thioarylated tetrathiafulvalene derivatives (A-S-TTFs) and Keggin-type polyoxometalates have been prepared via proton-induced intermolecular charge transfer or electrochemical oxidation methods, and their structural features have been intensively studied by X-ray diffraction. The generation of co-crystals occurs due to the flexible structure of the A-S-TTF and its electrostatic interaction with the polyoxometalate anions. The complexes can be divided into three types, i.e., type I, type II, and type III, which have organic/inorganic ratios of 3:1, 2:1, and 1:1, respectively. Multiple intermolecular interactions are observed between the organic and inorganic moieties, which stabilize the structures of the resulting hybrid clusters. In the clusters, Ar-S-TTFs are oxidized into radical cations (except in complex (TTF4)·(PMA) ·(TBA), where TTF4 is presented as a +2 cation). There are two factors affecting the packing styles and compositions of the hybrid clusters: 1) valence state of the Ar-S-TTF and 2) volume of the aryl groups thereon.
关键词： Thioarylated tetrathiafulvalene,Keggin-type polyoxometalate,self-assembly,crystal structure
更新于2025-09-12 10:27:22
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Transmission characteristics of photonic crystal waveguide with array square Al2O3 rods lattice in millimeter wave
摘要： In this work, the transmission characteristics of a millimeter wave photonic crystal waveguide formed by square lattice Al2O3 ceramic rods array are numerically and experimentally investigated. Based on the numerical simulations of photonic crystals, the corresponding experiments are performed, which are consistent with the numerical results. The transmission efficiency of photonic crystal waveguide with three-dimensional model is studied using finite element method. The measured transmission efficiency of the prototype photonic crystal waveguide is better than ?1.5 dB in frequency range 23.6–29.8 GHz. Since the designed photonic crystal waveguide is wide band, low loss and easy integration; it is potential to be applied in millimeter communication systems.
关键词： Defects,Millimeter wave,Photonic crystal structure
更新于2025-09-11 14:15:04
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Building Blocks for High‐Efficiency Organic Photovoltaics: Interplay of Molecular, Crystal, and Electronic Properties in Post‐Fullerene ITIC Ensembles
摘要： Accurate single-crystal X-ray diffraction data offer a unique opportunity to compare and contrast the atomistic details of bulk heterojunction photovoltaic small-molecule acceptor structure and packing, as well as provide an essential starting point for computational electronic structure and charge transport analysis. Herein, we report diffraction-derived crystal structures and computational analyses on the n-type semiconductors which enable some of the highest efficiency organic solar cells produced to date, 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene (ITIC) and seven derivatives (including three new crystal structures: 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-propylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene (ITIC-C3), 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(3-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene (m-ITIC-C6), and 3,9-bis(2-methylene-((3-(1,1-dicyanomethylene)-6,7-difluoro)-indanone))-5,5,11,11-tetrakis(4-butylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene (ITIC-C4-4F). IDTT acceptors typically pack in a face-to-face fashion with π–π distances ranging from 3.28–3.95 ?. Additionally, edge-to-face packing is observed with S?π interactions as short as 3.21–3.24 ?. Moreover, ITIC end group identities and side chain substituents influence the nature and strength of noncovalent interactions (e.g. H-bonding, π–π) and thus correlate with the observed packing motif, electronic structure, and charge transport properties of the crystals. Density functional theory (DFT) calculations reveal relatively large nearest-neighbor intermolecular π-π electronic couplings (5.85–56.8 meV) and correlate the nature of the band structure with the dispersion interactions in the single crystals and core–end group polarization effects. Overall, this combined experimental and theoretical work reveals key insights into crystal engineering strategies for indacenodithienothiophene (IDTT) acceptors, as well as general design rules for high-efficiency post-fullerene small molecule acceptors.
关键词： density functional calculations,crystal structure,non-fullerene,molecular modelling,solar cells
更新于2025-09-11 14:15:04
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The effect of indium doping on photovoltaic properties of chemically synthesized zinc oxide thin-film electrodes
摘要： Photovoltaic (PV) performance of chemically synthesized indium-doped zinc oxide (IZO) nanorod electrodes has been investigated by photocurrent density-voltage (J-V). The indium (In) concentration was varied from 2 to 6 at.% for IZO. The J-V measurements as performed under a dark condition and a simulated white light of 80 mW/cm2 confirmed increase in PV performance with the IZO electrodes, making a peak with the 4 at.% In concentration. The investigated properties of the synthesized In-doped ZnO nanorod electrodes (structural and optical) strongly agreed with the PV results and well support the enhanced PV performance of the IZO electrodes. This clearly indicates that IZO electrodes would be preferred against undoped ones in PV solar cell application.
关键词： IZO electrodes,Photovoltaic performance,In concentration,Wurtzite crystal structure,ZnO nanorods
更新于2025-09-11 14:15:04
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Growth, spectroscopic, diode-pumped mid-infrared laser properties of Er:GSAG crystal
摘要： A great potential mid-infrared laser crystal of heavily Er3+ doped GSAG crystal with high optical quality is successfully grown by Cz method. The crystal quality of Er:GSAG crystal is determined by XRC. The structure parameters of Er:GSAG crystal are obtained by the X-ray Rietveld refinement method (a=b=c=12.3196?). The absorption cross section at 961nm and 967 nm are 0.381 × 10-21 cm2 and 0.414 × 10-21 cm2, respectively. The 962 nm laser diode end-pumped Er:GSAG laser operated at 2828 nm is demonstrated for the first time. The performance of Er:GSAG laser is investigated in great detail. A maximum output power of Er:GSAG laser is 410 mW when pumped by 962 nm LD at 300 Hz and 0.5 ms. Simulating results display the highest temperatures of Er:GSAG laser spot is 345.8 K, indicating a small thermal lensing effect of Er:GSAG crystal. Besides, the laser performance of Er:GSAG crystals which irradiate by different doses of gamma-ray are used to investigated its potential for working in the radiation resistance environment. The results show the relatively minor differences on the Er:GSAG lasers performance, indicating a great potential of Er:GSAG crystal in radiant environment application.
关键词： Er:GSAG,Mid-infrared laser,Radiation resistant,Crystal structure,Absorption spectrum
更新于2025-09-11 14:15:04
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A novel Co(II) based multifunctional metal-organic framework: synthesis, fluorescence sensing and magnetic analysis
摘要： A new coordination Co(II) complex, namely, [Co2(DIPT)4(PClA)2Cl2]·H2O ( NCl-1 ) ( DIPT= 2-(2,4-dichlorophenyl) -1H-imidazo [4,5-f]-[1,10]phenanthroline, HPClA=3-(2-chlorophenyl)acrylie ) has been synthesized under solvothermal conditions and structurally characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction analysis, nitrogen adsorption analysis and powder X-ray diffraction. NCl-1 constructed by six coordinated mode with metal center and connected different ligands and ions, exhibits a three-dimensional structure under interactions of hydrogen bond and π-π stacking interactions. The luminescence explorations demonstrated that NCl-1 exhibits highly selective and sensitive sensing for organic solvents ( MeOH ) and metal ion ( Fe3+ ). Furthermore, magnetic analysis indicated that NCl-1 also own the property of anti ferromagnetic.
关键词： Crystal structure,Magnetic property,Fluorescent sensing,Hydrothermal synthesis
更新于2025-09-11 14:15:04
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Synthesis, Crystal Structure and Luminescene of Zinc(II) Complex with 2,6-Pyridinedicarboxylic Acid Radical and 1,10-Phenanthroline
摘要： A new zinc(II) complex, [Zn(pydc)2]·[Zn(phen)2(H2O)2]·7.5H2O, has been synthesized by the reaction of zinc sulfate, 2,6-pyridinedicarboxylic acid (pydcH2) and 1,10-phenanthroline (phen) and characterized by elemental analysis, IR, UV-visible, TG and X-ray single-crystal diffraction. It crystallizes in triclinic, space group P 1 , with a = 1.0091 (3), b = 1.4799 (4), c = 1.4984 (4) nm, α = 73.783 (4), β = 78.374 (4), γ = 74.886 (4)°, V = 2.0543 (9) nm3, C28H41N6O17.5Zn2, Mr = 992.36, Z = 2, Dc = 1.574 Mg/m3, γ(MoKα) = 0.071073 nm, μ = 1.252 mm-1, F (000) = 984, S = 1.040, the final R = 0.0412 and wR = 0.1335 for 6128 observed reflections (I > 2σ (I)). The structure unit of the complex consists of two zinc ions with different coordination modes. Each 6-coordinated geometry of the Zn atom is a distorted octahedral coordination geometry. The complex shows a strong fluorescence emission at around 367 nm in methanol solution (CCDC: 848466).
关键词： Zinc complex,Luminescent property,Crystal structure
更新于2025-09-11 14:15:04