硅纳米线的制备及其光学性能的研究

通过金属催化化学刻蚀的方法中的两步法制备出了具有阵列结构的硅纳米线,研究了不同刻蚀条件对硅纳米线形貌的影响,分析了形成不同形貌的原因.测定了不同条件下制备的硅纳米线的光吸收性能,总结了影响光吸收性能的因素和原因,根据硅纳米线的光吸收图求出了硅纳米线的禁带宽度,说明了硅纳米线已经具备不同于硅片的性能.     

Critical evaluation of a new method for quantitative determination of minerals in solid samples

The new method for the Chemical Quantitative Mineral Analysis (CQMA) is presented and critically evaluated. The percentages of minerals are calculated of the elemental bulk chemical analysis using identified minerals and their crystallochemical formulas. For this calculation an optimization procedure is used. CQMA enables also the feedback calculation of the bulk chemical analysis from CQMA calculated mineral contents. Subsequent comparison of the feedback calculated bulk chemical analysis and actual bulk chemical analysis of the same sample is used for critical evaluation of the input data. If necessary the input data are completed and/or reanalyzed and used for repeated calculation to achieve better match between the feedback calculated and actual chemical analyses, which consequently leads to more accurate mineral analysis. Moreover the feedback bulk chemical analysis can be also separately calculated from any mineral analyses determined e.g. by XRD, FTIR and/or optical method. Six German rock reference samples representing a very wide range of minerals and chemical composition of materials were selected and their mineral analyses carried out by CQMA and Rietveld X‐ray diffraction methods. The results were compared with reference mineral analyses and critically evaluated.     

近化学计量比铌酸锂晶体组分测定与缺陷观察

采用助熔剂提拉法生长得到近化学计量比LiNbO3晶体.用多种方法测定了晶体组分,结果表明生长得到的晶体中[Li2O]含量为49.80;摩尔分数;对晶体缺陷的研究表明晶体质量有待提高,并分析了晶体中出现包裹物的原因.     

Advances in applications of nanostructured silicon as a new multifunctional material

Abstract

The presented method of surface modification of single-crystal silicon by chemical etching makes it possible to obtain homogeneous nanostructured silicon layers with a thickness from 3 to 60?nm for application in micro- and nano-electronics as new multifunctional material. These results could be applied to the creation of sensitive photodetectors for visible and ultraviolet ranges. The method of scanning tunneling spectroscopy shows, that the changes in the thickness of nanostructured silicon layers affect the type of conductivity, and it opens new prospective for a practical application of nanostructured silicon in nano-electronics. The obtained current-voltage characteristics of nanostructured silicon layers showed different degrees of filling of the valence band, the conduction band and the appearance on the curve of the tunneling conductance of new peaks in the gas environment. The latter gives the possibility to use the method of scanning tunneling spectroscopy for a generation of gas and biosensors. The immune biosensor is proposed in the lab on a chip form based on the nanostructured silicon for the simultaneous analysis of numerous samples. The developed biosensor based on nanostructured silicon is very promising for use in so-called systems of lab-on-chip because it can be used for rapid analysis of various immune responses and is fully compatible with silicon planar technology used in the manufacturing of the semiconductor devices.     

CLBO晶体表面化学腐蚀和开裂机理的研究

硼酸锂铯(CLBO)是一种性能优良的紫外倍频晶体,但在室温大气环境中使用时晶体容易开裂,影响了它的实际应用.本文用水(或/和)甘油作为腐蚀剂,对不同取向的CLBO晶体表面进行了腐蚀,对比了表面的腐蚀图案;通过纯甘油和纯水的腐蚀剂作用对比,并结合CLBO晶体晶胞内原子的排列情况,揭示了CLBO晶体开裂的微观机理:水分子从(100)或者(010)面上的结构通道进入CLBO晶体,与Cs、Li和B原子反应,生成Cs2B10O16·8H2O、α-Li4B2O5和H3BO3,打开了CLBO晶体的键链,从而引起晶体的开裂;最后展示了CLBO晶体由于水的侵蚀而开裂的全过程.     

蛋白土提纯对其理化性能的影响研究

采用焙烧和硫酸浸法对细磨后的蛋白土进行提纯处理,通过SEM、TEM、比表面积及孔径测定仪和红外光谱仪等测试手段对提纯前后的蛋白土进行了表征.结果表明:原蛋白土提纯后可使其SiO2含量由79.42;提到高89.52;,其杂质减少、比表面积及孔体积增大、介孔数量增多和颗粒表面活性增强;通过提纯前后蛋白土对罗丹明B的吸附实验,结果表明蛋白土提纯前后对罗丹明B都有很好的吸附性,提纯蛋白土的吸附能力明显好于原蛋白土.     

First Examples Exhibiting both Double Melting Behavior and Mesomorphism in a Series of Long Chain Substituted Compounds: 1,3-Di(p-n-alkoxyphenyl)propane-1,3-dione

A new series of β-diketones substituted by the same kind of chains, (alkoxy groups) having different lengths (C_nO-Diketone, n = 1-12), has been synthesized. It was found that C_nO-Diketone shows triple melting behavior for n = 1, double melting behavior for n = 2-7, and smectic mesomorphism for n = 8-12. It is the first example exhibiting both double (triple) melting behavior and mesomorphism in a series of long chain substituted compounds, so far as we know. Furthermore, it is noteworthy that the critical change from double melting behavior to mesomorphism occurs between n = 7 and n = 8, which is also the first example in the long chain substituted compounds, so far as we know.     

薄膜结构性能变化中的"温度临界点"

本文先从理论角度说明了薄膜结构性能变化中存在"温度临界点",然后借助于XRD、Raman等测试仪器研究分析了Si薄膜、AZO薄膜在晶化过程、晶粒长大过程以及性能突变中的"温度临界点".结果显示:薄膜结构性能变化中确实存在"温度临界点";在"温度临界点"前后薄膜结构性能的变化规律曲线出现拐点.进而推论:薄膜的结构性能在随温度变化中"温度临界点"可能不止一个.     

多孔硅制备研究进展及其在锂离子电池方面的应用

多孔硅具有比表面积大、发光性能良好等特点,目前对于多孔硅的研究已经涉及到生物与化学传感器、药物递送、光催化、能源等领域。多孔硅中的孔隙可有效缓解硅在锂化时的体积膨胀,缩短锂离子从电解液向硅本体扩散的距离,促进高电流密度下的充放电过程。因此,多孔硅在储能领域得到了广泛研究与发展。但是一些挑战仍然存在,如制备成本、刻蚀机理、多孔结构的调控、多孔硅的电化学性能等还不能满足商业化应用的要求。本文对目前国内外多孔硅制备方法的研究进行了综述,并详细介绍了多孔硅在锂离子电池领域的应用。最后,对多孔硅材料在储能领域的发展进行了展望。     

Synthesis and Physicochemical Properties of Novel Liquid Crystal Compounds with Negative Dielectric Anisotropy with a Tetrahydropyran Ring: Part 2

With the aim of improving the properties of liquid crystal (LC) mixtures for VA-LCD and PSA-LCD, JNC has newly synthesized 2-(4’-ethoxy-2’,3’-difluorobiphenyl-4-yl)-5-alkenyltetrahydro-2H-pyran derivatives with alkenyl substituents as side chains, and then measured various physicochemical properties to compare their properties to LC compounds with alkyl substituents as side chains. We have shown that several LC compounds with side-chain alkenyl substituents lead to the development of a larger negative dielectric anisotropy (Δ?) than for side-chain alkyl substituents. We considered the reason for this using a quantum chemical calculation. As a result, it was found that, compared to alkylated compounds, there exist several LC compounds with side-chain alkenyl substituents, which have a higher existence probability of conformers with a β angle, making expression of a larger |Δ?| possible in an effective manner. It was understood from this study that the physicochemical properties of LC mixtures for VA-LCD and PSA-LCD, which consist of LC compounds as a structural component, newly developed by JNC, show useful properties.     

Crystal Growth and Properties of the Compounds CuGa3Se5 and CuIn3Se5

CuIn₃Se₅ and CuGa₃Se₅ uniform single crystals 12 mm in diameter and 40 mm in length with the chalcopyrite‐related structure were prepared by directed crystallization of the melt. The melting points of these compounds were defined by means of the differential thermal analysis (DTA). The lattice parameters a and c as well as the axial thermal expansion coefficients α_a and α_c were determined as a function of temperature in the range from 90 to 650 K by the X‐ray diffraction method (XRD). It is found that for both the compounds the coefficients of expansion along the a ‐axis are larger than those along the c ‐axis over the entire temperature range studied.     

非线性光学晶体BaAlBO3F2的生长与缺陷研究

采用B2O3-LiF-NaF助熔剂体系、中部籽晶法生长出BaAlBO3F2(BABF)晶体,对该晶体的弱吸收性能进行了表征.利用同步辐射白光X射线形貌术和化学腐蚀法研究了BABF晶体的缺陷,观察到BABF晶体中的主要缺陷是生长条纹和位错,并根据形貌和结构特点对生长条纹产生的原因进行了分析讨论,提出了一些减少缺陷和提高晶体质量的措施和方法.     

TEM,chemical etching and FTIR characterization of ZnTe grown by physical vapor transport

ZnTe ingots were obtained by the physical transport method, using an in‐house designed and built tubular furnace. The growth of ZnTe subsequently to the growth of a seed of this material allowed obtaining an ingot formed by only one large and single crystalline grain. TEM was used for the characterization of the as‐grown ZnTe single crystal ingots and commercial single‐crystalline wafers of the same material but grown by a higher temperature and more expensive technique, the Bridgman method. Both materials show very good crystalline microstructure, although some stacking faults were found in the commercial one. The infrared transmittance spectra of both materials were measured by FTIR and some differences, most likely due to differences in raw materials and growth methods, were found. The effectiveness and convenience of several chemical etchants to obtain the dislocation density and the minimal misorientation between adjacent subgrains in the as‐grown ZnTe wafers were checked. It has been found as the most advantageous the chemical solution that does not produce over‐etching. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Magneto‐transport properties of polycrystalline YBa2(Cu1‐xMx)3O7‐δ (M = B and Mn)

The magnetic and transport properties of polycrystalline YBa₂ (Cu_1‐xM_x)₃ O_7‐δ (M = B and Mn) superconductor was investigated. Samples of YBa₂(Cu_1‐xB_x)₃O_7‐δ doped with several concentrations of boron B(x = 0.05 and 0.1) were investigated using magnetization measurements. A YBa₂(Cu_1‐xMn_x)₃O_7‐δ sample doped with Mn with concentration of x = 0.02 was investigated using current‐voltage (I‐V) measurements. Our results on the YBa₂(Cu_1‐xB_x)₃O_7‐δ samples reveal a considerable increase in the hysterisis width of the magnetization, M versus the applied magnetic field H with increasing boron concentration. The lower critical field was also found to be enhanced by boron doping. The critical current density, J_c was found to be significantly enhanced in the Mn‐doped sample. The enhancement of J_c was found to be more significant at the lower temperatures for all applied magnetic fields used (0 Oe, 300 Oe, and 500 Oe). Thus, chemical doping is suggested to enhance the vortex pinning forces in the YBCO samples. From the resistivity (R‐T) measurements, chemical doping of the samples was found to have no significant effect on the critical temperature, T_c. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Use of isoelectric point and pH to evaluate the synthesis of a nanotubular aluminosilicate

To follow the synthesis of imogolite, transmission electron microscopy is needed. In this paper, the isoelectric point (IEP) and the aging pH are proposed as alternative methods. Two synthetic procedures were used (S-I and S-II), both involving a co-precipitation followed by an aging treatment where the aluminosilicate evolves from proto-imogolite (detected after the co-precipitation step), to imogolite; its formation is reached after 120 h (S-I) or 168 h (S-II) of aging, depending on the co-precipitation method used. In S-I the isoelectric point increases from 7.1 to 10.5, while in S-II it increases from 6.6 to 9.2 during the aging treatment. Additionally, a linear relationship between the IEP and the pH at different aging steps was found. That relationship may be used to follow the process of synthesis by simply measuring the pH, becoming an alternative to more complex methods.     

Synthesis and Thermotropic Properties of Twin Mesogens Containing a Polymethylene Spacer

DSC and microscopic data are presented for a thermotropic twin mesogen series. Deviations from normal trends were observed.     

Rapid synthesis of dendrite‐ and platelet‐like α‐Fe2O3 via a hydrothermal oxidation route

Dendrite and platelet‐like α‐Fe₂O₃ microcrystals were synthesized by the oxidation reaction of K₄Fe(CN)₆and NaClO₃ through a simple hydrothermal method. The structures and morphologies of the as‐prepared samples were characterized in detail by X‐ray diffraction (XRD), transmission electron microscopy (TEM) and scanning electron microscopy (SEM). The experiment results show that NaOH played an important role in controlling the morphology of the final products. The possible mechanism was discussed to elucidate the formation of different morphologies of the α‐Fe₂O₃ microstructures. Besides, the magnetic property of the dendrite α‐Fe₂O₃ microstructure was characterized by a vibrating sample magnetometer (VSM). (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Pharmacologically Relevant Bifunctional Compounds Containing Chloroquinoline and Dihydropyrimidone Moieties: Syntheses and Crystal Structures of a Target Molecule and Selected Intermediates

Abstract  We report the regioselective synthesis and X-ray structure of the pharmacologically relevant 3-[2-(7-chloro-quinolin-4-ylamino)-ethylcarbamoyl]-4-(4-methoxy-phenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester (3) (triclinic, space group , a = 11.1775 (3), b = 13.6470 (4), c = 16.3680 (6) ?, α = 82.645 (1), β = 86.423 (1), γ = 88.415 (2)°, V = 2470.9 (1) ?³, Z = 4). Further support for the regioselectivity is provided by the X-ray structures of two intermediates, namely 4-(4-methoxy-phenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester, 8 (monoclinic, space group P2₁/c, a = 11.7710 (2), b = 5.5290 (1), c = 22.9500 (5) ?, β = 104.342 (1)°, V = 1447.08 (5) ?³, Z = 4), and 4-(4-methoxy-phenyl)-1,3,6-trimethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester, 9 (monoclinic, space group P2₁/c, a = 16.6529 (7), b = 10.9426 (4), c = 8.2819 (3) ?, β = 91.395 (2)°, V = 1508.7 (1) ?³, Z = 4), which are also reported. The three compounds display significant differences in the conformations of their DHPM rings as well as a variety of hydrogen bonding arrangements in their crystals. Graphical Abstract  The synthetic strategy for deriving pharmacologically-relevant bifunctional compounds based on linked dihydropyrimidone and chloroquinoline moieties is reported, together with supporting X-ray structures of two synthetic intermediates and a representative target compound.      

三氯氢硅和氢气系统中多晶硅化学气相沉积的数值模拟

本文建立了三氯氢硅和氢气系统中混合气体动量、热量和质量同时传递,并且耦合气相反应、表面反应的多晶硅气相沉积模型,利用流体力学计算软件(Computational Fluid Mechanics, CFD)Fluent6.2数值分析了气体进口速率、反应压力、表面温度和气体组成对硅化学气相沉积特性的影响,数值结果表明计算结果与相关实验数据吻合较好.分析表明在一定的条件下,硅沉积速率随温度、压力的升高而增加,在氢气浓度较高的情况下,硅沉积速率随氢气浓度增加而线性地降低.