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251.
Xiande Yang Yongqian Wang Zhengshu Wang Qun Ma Junhan Kong Hanxiang Jia Meihua Yu 《Crystal Research and Technology》2015,50(8):658-667
In this article, flower‐like CdS structures have been prepared by a hydrothermal method with SDBS as surfactant. The influences of different experimental conditions on the morphologies, UV‐Vis and fluorescence properties of CdS have been investigated. The performances of CdS have been analyzed by X‐ray diffraction (XRD), field emission scanning electron microscopy (FESEM), ultraviolet‐visible (UV–Vis) and room‐temperature photoluminescence (PL). The XRD result indicates that the flower‐like CdS structures are of hexagonal phase. The FESEM results indicate that the main role of SDBS is to make the CdS crystals assemble together to form the flower‐like structures. The UV–Vis results show CdS has a strong absorption in the ultraviolet region and visible‐light region. The PL results show CdS has two emission peaks, respectively at 461 nm and 553 nm. The growth mechanism for the formation of flower‐like CdS structures is also described. 相似文献
252.
Meng Li Hong‐Ye Bai Zu‐Lin Da Xu Yan Chao Chen Jin‐Hui Jiang Wei‐Qiang Fan Wei‐Dong Shi 《Crystal Research and Technology》2015,50(3):244-249
CaFe2O4/MgFe2O4 nanowires with heterostructure had been successfully synthesized by electrospinning method. The obtained samples were systematically characterized by scanning electron microscopy (SEM), X‐Ray diffraction (XRD), UV–Vis diffuse reflectance spectra (UV‐Vis DR) and Environment scanning electron microscopy (ESEM). The novel CaFe2O4/MgFe2O4 nanowires exhibit an enhanced photocatalytic activity for degrading of tetracycline (TC) under visible light. Compared with bare CaFe2O4 or MgFe2O4 samples, the prepared CaFe2O4/MgFe2O4 (Ca:Mg:Fe = 3:2:10) composited nanowires show the best photocatalytic performance with a degradation efficiency of 40% after 150 min reaction time. This enhancement is attributed to the heterostructure of CaFe2O4/MgFe2O4 nanowires, which effectively repress the recombination of photo‐generated electrons and holes. Based on heterostructure and energy band positions, the enhancement of mechanism under visible‐light enhances the photocatalytic activity. 相似文献
253.
Tomokazu Kurabayashi Tatsuki Yamaki Norihiko Kamata 《Molecular Crystals and Liquid Crystals》2015,621(1):136-141
In this research, we investigated improved photobleaching characteristics of (1,10-phenanthroline)tris[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]europium(III) by forming nano-particles embedded into a sol-gel derived silica glass film by a conventional sol-gel process. The relative photoluminescence intensities after the UV irradiation for 90 min were 88, 76, and 67% for nano-particles in the sol-gel derived glass film, powders in the sol-gel derived glass film, and raw powders, respectively. This result indicates that the phtobleaching of this Eu-complex can improved by forming nano-partcile structures by a reprecipitation method and embedding in the sol-gel derived silica glass. 相似文献
254.
对紫外荧光硫分析仪用石英燃烧管进行了结构改进,在原结构设计的基础上,增加了裂解氧预热管、挡板和氧气反吹口等。实验表明,相比于原结构设计的石英燃烧管进样量20μL和检出限0.2 mg/L,改进后的燃烧管进样量提高到了100μL,检出限达0.05 mg/L,线性范围为0.1~600 mg/L,相关系数大于0.999。采用改进后的燃烧管测定10.0 mg/L硫含量标准物质,其相对偏差为–1.5%~3.1%,测定结果的相对标准偏差为1.77%(n=10),两者均符合油品硫含量检测要求。改进后的燃烧管可替代市场上的其它国产石英燃烧管,进行油品中硫含量的测定。 相似文献
255.
256.
Denis Mashkovtsev Wataru Mizukami Jacek Korchowiec Anna Stachowicz-Kuśnierz Yuriko Aoki 《Journal of computational chemistry》2020,41(25):2203-2212
The elongation method with intermediate mechanical and electrostatic embedding (ELG-IMEE) is proposed. The electrostatic embedding uses atomic charges generated by a charge sensitivity analysis (CSA) method and parameterized for three different population analyses, namely, the Merz–Singh–Kollman scheme, the charge model 5, and the atomic polar tensor. The obtained CSA models were tested on two model systems. Test calculations show that the electrostatic embedding provides several times of decrease in the difference of energies of testing and reference calculations in comparison with the conventional elongation approach (ELG). The mechanical embedding is implemented in a combination of the conventional elongation method and the ONIOM approach. Moreover, it was demonstrated that the geometry optimization with the ELG-IMEE reduces the errors in the optimized structures by about one order in root-mean-square deviation, when compared to ELG. 相似文献
257.
Hidemasa Azuma Yuzuru Katagiri Shinichi Yamabe 《Journal of polymer science. Part A, Polymer chemistry》1996,34(8):1407-1414
Transition states (TSs) of radical addition homopolymerization reactions of methyl acrylate, methyl methacrylate, dimethyl itaconate, and N-methyl itaconimide were examined with two-unit radical models using MOPAC (PM3 UHF) semiempirical method. Calculated activation energies (Eas) show good correlations with experimental values. Calculated activation entropies (−ΔS‡s) are found to be well proportional to Eas. The entropy terms play an important role as well as Ea in radical additions. Ea depends on the angle (θrs) between reaction points of radical and of monomer at TS. The bond length between reaction points at TS is constant regardless of monomers studied. The geometries and thermodynamical properties calculated here for TS indicate the importance of steric effects caused by substituted group(s) rather than electronic perturbation energies reported previously. © 1996 John Wiley & Sons, Inc. 相似文献
258.
The orientation tensor L is introduced to construct a modified Leslie–Ericksen model for the viscous, incompressible flow of anisotropic suspensions (including electric field effects). This is then utilized to develop a weak variational formulation and finite element scheme for computing the flow and orientation fields. Numerical results are presented for exploratory test problems. 相似文献
259.
A new symmetric formulation of the two-dimensional shallow water equations and a streamline upwind Petrov–Galerkin (SUPG) scheme are developed and tested. The symmetric formulation is constructed by means of a transformation of dependent variables derived from the relation for the total energy of the water column. This symmetric form is well suited to the SUPG approach as seen in analogous treatments of gas dynamics problems based on entropy variables. Particulars related to the construction of the upwind test functions and an appropriate discontinuity-capturing operator are included. A formal extension to the viscous, dissipative problem and a stability analysis are also presented. Numerical results for shallow water flow in a channel with (a) a step transition, (b) a curved wall transition and (c) a straight wall transition are compared with experimental and other computational results from the literature. 相似文献
260.