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The X-ray crystal structures of a series of lithium quinolates – lithium 8-hydroxyquinolinate (Liq), lithium 2-methyl-8-hydroxyquinolinate (MeLiq), and 2-phenyl-8-hydroxquinolinate (PhLiq), are compared. The substitution at the 2-position of the 8-hydroxyquinoline ligand has significant impact on the aggregation of the lithium complex in the crystalline state. Liq and MeLiq molecules crystallize as hexamers, whereas PhLiq crystallizes as a tetramer. The possible influence of crystal-packing forces on the preferred cluster structure was probed using density functional theory calculations on a systematically varied set of Liq, MeLiq, and PhLiq clusters. For Liq and MeLiq, the observed structures match the most stable computed structures. In the PhLiq case, the observed tetrameric structure is computed to be less stable (+1.2 kcal/mol/monomer) than the lowest energy structure, a hexamer. In this case, solid-state effects probably outweigh small differences in cluster stability. 相似文献
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Phenothiazine-based covalent organic frameworks with low exciton binding energies for photocatalysis
Weitao Wang Haotian Wang Xiaohui Tang Jinlei Huo Yan Su Chuangye Lu Yujian Zhang Hong Xu Cheng Gu 《Chemical science》2022,13(29):8679
Designing delocalized excitons with low binding energy (Eb) in organic semiconductors is urgently required for efficient photochemistry because the excitons in most organic materials are localized with a high Eb of >300 meV. In this work, we report the achievement of a low Eb of ∼50 meV by constructing phenothiazine-based covalent organic frameworks (COFs) with inherent crystallinity, porosity, chemical robustness, and feasibility of bandgap engineering. The low Eb facilitates effective exciton dissociation and thus promotes photocatalysis by using these COFs. As a demonstration, we subject these COFs to photocatalytic polymerization to synthesize polymers with remarkably high molecular weight without any requirement of the metal catalyst. Our results can facilitate the rational design of porous materials with low Eb for efficient photocatalysis.We report the construction of phenothiazine-based covalent organic frameworks, which exhibited diverse structures, the feasibility of bandgap engineering, and unprecedented ultralow exciton binding energy of ∼50 meV for photocatalytic polymerization. 相似文献
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Yingzi Peng Dexuan Huo Liang Zheng Zhenghong Qian 《Particle & Particle Systems Characterization》2012,29(1):3-7
ZnO microstructures have been grown from zinc chloride (ZnCl2) and ammonia solution at 100 °C for 1 – 24 hours. X‐ray diffraction, scanning electron microscope and field‐emission scanning microscope were utilized to investigate the structural properties and morphology of the ZnO crystals. Structural investigations show that phase‐pure hexagonal structure ZnO has been successfully synthesized, and the hexagonal structure ZnO can be achieved in solutions with an appropriate range of concentrations. Under our experimental conditions, several different morphologies of ZnO structures were obtained, including flower‐like and bar flower‐like. The relationship between the morphology and experimental conditions are discussed. 相似文献
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Aperiodic molybdenum/silicon (Mo/Si) multilayer designed as a broadband reflective mirror with mean reflectivity of 10% over a wide wavelength range of 12.5-28.5 nm at incidence angle of 5° is developed using a numerical optimized method. The multilayer is prepared using direct current magnetron sputtering technology. The reflectivity is measured using synchrotron radiation. The measured mean reflectivity is 7.0% in the design wavelength range of 12.5-28.5 nm. This multilayer broadband reflective mirror can be used in extreme ultraviolet measurements and will greatly simplify the experimental arrangements. 相似文献
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Recent advances in theoretical models of respiratory mechanics 总被引:1,自引:0,他引:1
As an important branch of biomedical engineering, respiratory mechanics helps to understand the physiology of the respiratory system and provides fundamental data for developing such clinical technologies as ventilators. To solve different clinical problems, researchers have developed numerous models at various scales that describe biological and mechanical properties of the respiratory system. During the past decade, benefiting from the continuous accumulation of clinical data and the dramatic progress of biomedical technologies (e.g. biomedical imaging), the theoretical modeling of respiratory mechanics has made remarkable progress regarding the macroscopic properties of the respiratory process, complexities of the respiratory system, gas exchange within the lungs, and the coupling interaction between lung and heart. The present paper reviews the advances in the above fields and proposes potential future projects. 相似文献
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现代航空武器装备综合化和信息化程度越来越高,飞行试验测试数据的种类增多,测试数据量剧增,飞行试验进入了大数据时代。试飞大数据的来临,对试验数据的获取、记录、传输和处理等传统技术及模式产生了强大的冲击,也提出了严峻的挑战。本文在简要介绍大数据概念及国外研究应用现状的基础上,通过总结分析飞行试验数据的新特征、新需求,提出了“试飞大数据”的概念,得出飞行试验数据是典型大数据的结论;按照试飞测试流程和大数据技术范畴,重点分析了试飞大数据技术中的数据获取、交换、记录、传输、监控、处理、存储等关键技术,最后,对试飞大数据技术的应用前景进行了展望。 相似文献
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Qing Wang Bo Liu Yangyang Xia Yonghui Zheng Ruru Huo Min Zhu Sannian Song Shilong Lv Yan Cheng Zhitang Song Songlin Feng 《固体物理学:研究快报》2015,9(8):470-474
Phase‐change memory (PCM) is regarded as one of the most promising candidates for the next‐generation nonvolatile memory. Its storage medium, phase‐change material, has attracted continuous exploration. Along the traditional GeTe–Sb2Te3 tie line, the binary compound Sb2Te3 is a high‐speed phase‐change material matrix. However, the low crystallization temperature prevents its practical application in PCM. Here, Cr is doped into Sb2Te3, called Cr–Sb2Te3 (CST), to improve the thermal stability. We find that, with increase of the Cr concentration, grains are obviously refined. However, all the CST films exhibit a single hexagonal phase as Sb2Te3 without phase separation. Also, the Cr helps to inhibit oxidation of Sb atoms. For the selected film CST_10.5, the resistance ratio between amorphous and crystalline states is more than two orders of magnitude; the temperature for 10‐year data retention is 120.8 °C, which indicates better thermal stability than GST and pure Sb2Te3. PCM cells based on CST_10.5 present small threshold current/voltage (4 μA/0.67 V). In addition, the cell can be operated by a low SET/RESET voltage pulse (1.1 V/2.4 V) with 50 ns width. Thus, Cr–Sb2Te3 with suitable composition is a promising novel phase‐change material used for PCM with high speed and good thermal stability performances. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim) 相似文献