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Issue Information: Crystal Research and Technology 11'2024 发行信息:晶体研究与技术 11'2024
IF 1.5 4区 材料科学 Q3 Chemistry Pub Date : 2024-11-11 DOI: 10.1002/crat.202470044
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引用次数: 0
Ca(Mo,W)O4 Solid Solutions Formation in CaMoO4-CaWO4 System CaMoO4-CaWO4 体系中 Ca(Mo,W)O4 固溶体的形成
IF 1.5 4区 材料科学 Q3 Chemistry Pub Date : 2024-10-25 DOI: 10.1002/crat.202400127
D.M. Khramtsova, A.B. Kuznetsov, V.D. Grigorieva, A.A. Ryadun, A.E. Musikhin, K.A. Kokh

The formation of solid solutions in the CaMoO4-CaWO4 binary system is investigated by X-ray diffraction, Raman spectroscopy, and scanning electron microscopy methods. The intermixtures of CaMoO4 and CaWO4 components are sintered in 600—1200 °C temperature range (in 100 °C increments). The solidus of the CaMoxW(1-x)O4 system is studied by the differential scanning calorimetry method in the x  =  0.3 … 1.0 range. CaMoO4-CaWO4 phase diagram is constructed up to 1550 °C. The minimal sintering temperature in order to get CaMoxW(1-x)O4 solid solution is shown to be 800 °C. Cathodoluminescence study of CaMoxW(1-x)O4 compounds showed higher intensity of molybdate luminescence type.

通过 X 射线衍射、拉曼光谱和扫描电子显微镜方法研究了 CaMoO4-CaWO4 二元体系中固溶体的形成。CaMoO4 和 CaWO4 成分的混合物在 600-1200 °C 温度范围内烧结(以 100 °C 为增量)。通过差示扫描量热法研究了 CaMoxW(1-x)O4 体系在 x = 0.3 ... 1.0 范围内的固相。绘制了高达 1550 °C 的 CaMoO4-CaWO4 相图。得到 CaMoxW(1-x)O4 固溶体的最低烧结温度为 800 ℃。对 CaMoxW(1-x)O4化合物的阴极荧光研究表明,钼酸盐类发光强度更高。
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引用次数: 0
Research on the Heterogeneous Deformation Behavior of Nickel Base Alloy Based on CPFEM 基于 CPFEM 的镍基合金异质变形行为研究
IF 1.5 4区 材料科学 Q3 Chemistry Pub Date : 2024-10-25 DOI: 10.1002/crat.202400170
Erqiang Liu, Mengchun You, Hongwei Zhao, Jianguo Wu, Xianliang Yang, Gesheng Xiao, Jinbao Lin

In this paper, a crystal plasticity finite element method (CPFEM), considering the grain morphology and orientation, as well as the dislocation density, is used to research the tensile deformation behavior of GH4169 based on Electron Backscatter Diffraction (EBSD). The stress, plastic strain, and dislocation density distributions are obtained for different levels of deformation. Results show that the stress, plastic strain, and dislocation density exhibit obvious heterogeneous plastic deformation, and stress concentration and dislocation pileup mainly occurs near grain boundaries. The initial dislocation density mainly affects the stress–strain curve of the material, and it can obviously effect the yield strength but cannot influence the hardening ability of the material. The total dislocation density increases with plastic strain. However, the texture evolution has no evident change with increasing plastic strain, except for the increase of texture content in Cube (001)[100].

本文采用晶体塑性有限元法(CPFEM),考虑了晶粒形态和取向以及位错密度,基于电子背散射衍射(EBSD)研究了 GH4169 的拉伸变形行为。获得了不同变形水平下的应力、塑性应变和位错密度分布。结果表明,应力、塑性应变和位错密度表现出明显的异质塑性变形,应力集中和位错堆积主要发生在晶界附近。初始位错密度主要影响材料的应力-应变曲线,它能明显影响材料的屈服强度,但不能影响材料的硬化能力。总位错密度随塑性应变而增加。然而,除了立方体(001)[100] 中的纹理含量增加外,纹理演变并没有随着塑性应变的增加而发生明显变化。
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引用次数: 0
Growth of YAG:Nd laser crystals by Horizontal Directional Crystallization in Protective Carbon-Containing Atmosphere 在含碳保护气氛中通过水平定向结晶技术生长 YAG:Nd 激光晶体
IF 1.5 4区 材料科学 Q3 Chemistry Pub Date : 2024-10-17 DOI: 10.1002/crat.202400104
S. Nizhankovskyi, A. Romanenko, O. Serdiuk, E. Vovk, N. Sidelnikova, A. Kozlovskyi, S. Kryvonohov, O. Lukienko, S. Skorik, N. Kovalenko, K. Bryliova, I. Pritula

Laser-quality yttrium-aluminum garnet single crystals doped with neodymium (YAG:Nd) of a concentration up to 1 at. % is grown by the method of horizontal directional crystallization from a molybdenum crucible in the protective reducing atmosphere based on argon, СО, and hydrogen. It is found that the content of carbon impurity in the grown crystals does not exceed 5·10−3 wt %, the content of molybdenum being on the level of 1.5·10−3 wt %. The optical quality of the crystals depends on the composition of the growth atmosphere and annealing. It is shown that, besides the bands of neodymium ion absorption, the crystals are characterized by the intense absorption in the UV edge of the spectrum at 370 nm wavelength, and by the wide absorption band with a maximum at 580 nm caused by formation of F and F+-centers. The absorption at 370 and 580 nm can be eliminated by annealing. The structure perfection of the crystals is characterized by the rocking curve half-width (β) which value varies within the limits of 10–14 arc. sec for (001) plane. Laser testing demonstrates the parameters comparable with those of YAG:Nd crystals grown by the Czochralski method from iridium crucible.

掺杂了钕的激光级钇铝石榴石单晶体(YAG:Nd)浓度高达 1 at.%的激光级掺钕钇铝石榴石单晶,是在氩、СО和氢保护性还原气氛下,通过水平定向结晶法从钼坩埚中生长出来的。研究发现,生长出的晶体中碳杂质含量不超过 5-10-3 重量 %,钼含量为 1.5-10-3 重量 %。晶体的光学质量取决于生长气氛和退火的成分。研究表明,除了钕离子吸收带之外,晶体还具有在波长为 370 纳米的紫外光谱边缘的强烈吸收,以及由 F 和 F+ 中心形成的最大波长为 580 纳米的宽吸收带。退火可消除 370 和 580 纳米波长处的吸收。晶体结构的完美性体现在摇摆曲线的半宽(β)上,对于 (001) 平面,其值在 10-14 弧秒的范围内变化。激光测试表明,其参数与用铱坩埚中的 Czochralski 方法生长的 YAG:Nd 晶体相当。
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引用次数: 0
Preparation and Photophysical Properties of Znq2 Metallic Nanomaterials Znq2 金属纳米材料的制备与光物理性质
IF 1.5 4区 材料科学 Q3 Chemistry Pub Date : 2024-10-15 DOI: 10.1002/crat.202400116
Fulian Li, Yunshuai Long, Xin Huang, Penghui Ma, Guiyi Huang, Yumin Song

Bis(8-hydroxyquinolates) Zinc (Znq2) can be used as a light-emitting layer material in OLED devices to achieve its efficient electroluminescence effect. In this paper, Znq2 powder has been successfully synthesized and modified by the physical vapor deposition (PVD) method. Precursors and nano-materials are characterized by XRD, SEM, PL, and so on. The performance of the modified material has been significantly improved. The emission intensity and absorption intensity in the deposited products increased with the increase in PVD temperature. At 453 K, luminous properties such as luminous intensity reach the optimal value including its fluorescence lifetime. Fluorescence lifetime values vary from 13 to 17 ns with the increase in temperature. The luminescence mechanism is also discussed. The energy gap and absorption spectrum of HOM-LUMO are calculated by the DFT/UB3LYP method. The experimental values agree well with the theoretical values. The nanomaterial crystals modified by PVD technology are more orderly, impurities are reduced, and the luminous stability of the material is improved, which may be one of the reasons for the relatively slow decline in product life. The research combined with theoretical simulation is expected to be helpful to the research and promotion of such materials.

双(8-羟基喹啉酸盐)锌(Znq2)可用作 OLED 器件的发光层材料,以实现其高效的电致发光效果。本文采用物理气相沉积(PVD)方法成功合成并修饰了 Znq2 粉末。通过 XRD、SEM、PL 等对前驱体和纳米材料进行了表征。改性材料的性能得到了显著改善。沉积产物的发射强度和吸收强度随着 PVD 温度的升高而增加。在 453 K 时,发光强度等发光特性达到了最佳值,包括其荧光寿命。随着温度的升高,荧光寿命值从 13 ns 到 17 ns 不等。此外,还讨论了发光机制。利用 DFT/UB3LYP 方法计算了 HOM-LUMO 的能隙和吸收光谱。实验值与理论值吻合良好。通过 PVD 技术修饰的纳米材料晶体更加有序,杂质减少,发光稳定性提高,这可能是产品寿命下降相对较慢的原因之一。该研究结合理论模拟,有望对此类材料的研究和推广有所帮助。
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引用次数: 0
Issue Information: Crystal Research and Technology 10'2024 发行信息:晶体研究与技术 10'2024
IF 1.5 4区 材料科学 Q3 Chemistry Pub Date : 2024-10-09 DOI: 10.1002/crat.202470043
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引用次数: 0
Green Conversion of Epoxides to Cyclic Carbonates by Copper Nanocrystals Fabricated on Jute Tartaric Acid Composite Surface 在黄麻酒石酸复合材料表面制备纳米铜,实现环氧化物到环碳酸盐的绿色转化
IF 1.5 4区 材料科学 Q3 Chemistry Pub Date : 2024-10-08 DOI: 10.1002/crat.202400114
Sankar Barman, Sushobhan Ghosh

The synthesis of copper nanocrystals on tartaric acid jute composite surface is reported. The formation of nanocrystals is detected by FT IR, Powder X-ray diffraction, SEM, and TEM analysis. The average size of the nanocrystals is found to be 500 nm. The reaction of the copper nanocrystals with CO2 resulted in a decrease in the size of the nanoparticles. Cycloaddition reaction of epoxides to cyclic carbonate is efficiently carried out by the copper nanocrystals on tartaric acid jute composite surface (CUNPJT) without using any cocatalyst and solvent. To the best of author's knowledge, this is the first example of copper nanocrystals catalyzing the cycloaddition of CO2 and epoxide.

报告了在酒石酸黄麻复合材料表面合成纳米铜晶体的过程。通过傅立叶变换红外光谱、粉末 X 射线衍射、扫描电镜和 TEM 分析检测了纳米晶体的形成。纳米晶体的平均尺寸为 500 nm。纳米铜晶体与 CO2 反应后,纳米粒子的尺寸减小。酒石酸黄麻复合表面(CUNPJT)上的纳米铜晶体不使用任何助催化剂和溶剂,就能有效地进行环氧化物与环碳酸盐的环加成反应。据作者所知,这是纳米铜晶体催化二氧化碳和环氧化物环化反应的第一个实例。
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引用次数: 0
Correction to First-Principles Calculations to Investigate the Ground State, Mechanical Stability, Electronic Structure, and Optical Properties of Tl2SnX3 (X = S, Se, Te) 修正第一性原理计算以研究 Tl2SnX3(X = S、Se、Te)的基态、机械稳定性、电子结构和光学特性
IF 1.5 4区 材料科学 Q3 Chemistry Pub Date : 2024-09-23 DOI: 10.1002/crat.202470042

[Hanen Alhussain, Hela Ferjani, Youssef Ben Smida; https://doi.org/10.1002/crat.202300340]

[An error in the spelling of an author's name in the article. The name in the published paper is [Hanen] and should be corrected to [Hanan].

We apologize for this error.

[Hanen Alhussain, Hela Ferjani, Youssef Ben Smida; https://doi.org/10.1002/crat.202300340][文章中作者姓名拼写错误。已发表论文中的作者姓名是 [Hanen],应更正为 [Hanan]。我们对此错误深表歉意。
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引用次数: 0
Morphologically and Compositionally Controlled Cs2SbBr6 by Bi and Ag Substitution 通过铋和银取代实现形态和成分可控的 Cs2SbBr6
IF 1.5 4区 材料科学 Q3 Chemistry Pub Date : 2024-09-18 DOI: 10.1002/crat.202400055
Alexander Frebel, Songhak Yoon, Samuel Meles Neguse, Dennis Michael Jöckel, Marc Widenmeyer, Stefan G. Ebbinghaus, Benjamin Balke-Grünewald, Anke Weidenkaff

Morphology-controlled Cs2SbBr6 crystals are synthesized by Bi- and Ag-substitution of the precursor solution. X-ray diffraction (XRD) together with Raman spectroscopy confirms the lattice tilting and symmetry changes with the dominant appearance of higher index facets by Bi substitution. Ag substitution does not induce crystal symmetry changes in the Cs2BBr6 (B = Sb or Bi) phase, but results in highly defective structures hindering the formation of a smooth surface during the crystal growth. Successful substitution of Bi and limited substitution of Ag into Cs2SbBr6 is also confirmed by energy dispersive X-ray spectroscopy (EDX). This research provides design principles and practical examples of how to control the morphology of Cs2SbBr6 crystals with structural defects and multiphase formation.

通过对前驱体溶液进行铋和银替代,合成了形态可控的 Cs2SbBr6 晶体。X 射线衍射(XRD)和拉曼光谱证实了晶格倾斜和对称性的变化,Bi 取代后主要出现了高折射率刻面。银的替代不会引起 Cs2BBr6(B = Sb 或 Bi)相晶体对称性的变化,但会导致高度缺陷结构,阻碍晶体生长过程中光滑表面的形成。能量色散 X 射线光谱(EDX)也证实了 Cs2SbBr6 中 Bi 的成功替代和 Ag 的有限替代。这项研究为如何控制具有结构缺陷和多相形成的 Cs2SbBr6 晶体的形态提供了设计原则和实际范例。
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引用次数: 0
Copper Intercalation Effect on Thermoelectric Performance of Pristine Tin Selenide 铜互钙对原始硒化锡热电性能的影响
IF 1.5 4区 材料科学 Q3 Chemistry Pub Date : 2024-09-18 DOI: 10.1002/crat.202400115
Satendrasinh Bharthaniya, Mahesh Chaudhari, Ajay Agarwal, Kailash Chaudhari, Sunil Chaki

Pristine tin selenide (SnSe) and copper (Cu) doped SnSe single crystals are grown by direct vapour transport technique. The energy dispersive X-ray, X-ray diffraction and Raman spectroscopic analysis of grown crystals show preferred stoichiometry having a single phase othorhombic SnSe. The electrical conductivity of SnSe and Cu doped SnSe are 24.24 and 106.06 S m−1 at 310 K respectively which increase as temperature increases. Carrier concentration of grown single crystals are evaluated by the Hall effect. Lattice thermal conductivity of pristine SnSe is 0.61 W mK−1, that decreased by copper doping to 0.44 W mK−1 at 310 K and for both the crystals it shows decrement as temperature increases to 483 K. Seebeck coefficient of the grown SnSe and Cu doped SnSe are positive and obtained values are 536.44 and 492.90 µV K−1 respectively at 310 K that confirm the p-type semiconducting nature. Power factor, Figure of merit and thermoelectric compatibility factor of grown pristine SnSe is 0.25 × 108 µV mK−2, 0.005 and 0.02 Volt−1 respectively and shows improvement in Cu doped SnSe, i.e., 0.08 × 108 µV mK−2, 0.017 and 0.07 Volt−1 respectively at 310 K. This shows Cu doping in SnSe makes it an effective thermoelectric device contender.

原始硒化锡(SnSe)和掺杂铜(Cu)的硒化锡单晶体是通过直接蒸汽传输技术生长出来的。对生长出的晶体进行的能量色散 X 射线、X 射线衍射和拉曼光谱分析表明,单相掺杂的硒化锡具有优选的化学计量学特性。在 310 K 时,SnSe 和掺铜 SnSe 的电导率分别为 24.24 和 106.06 S m-1,并随着温度的升高而增加。利用霍尔效应评估了生长单晶的载流子浓度。原始 SnSe 的晶格热导率为 0.61 W mK-1,掺铜后在 310 K 时降至 0.44 W mK-1,随着温度升高至 483 K,两种晶体的热导率均有所下降。生长的 SnSe 和掺铜 SnSe 的塞贝克系数均为正值,在 310 K 时的值分别为 536.44 和 492.90 µV K-1,这证实了其 p 型半导体性质。生长的原始 SnSe 的功率因数、优点系数和热电兼容系数分别为 0.25 × 108 µV mK-2、0.005 和 0.02 伏特-1,而掺铜的 SnSe 则有所提高,在 310 K 时分别为 0.08 × 108 µV mK-2、0.017 和 0.07 伏特-1。
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Crystal Research and Technology
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