硅晶体表面石墨烯褶皱形貌的分子动力学模拟研究

本文利用分子动力学的方法和模拟退火技术从原子尺度分析研究了Si (100), Si (111)和Si (211)表面单原子层石墨烯的褶皱形貌及其演化特点. 研究表明, 分别置于Si晶体的三种不同原子表面的石墨烯都展现出原子尺度的褶皱形貌. 石墨烯与Si晶体表面原子的晶格失配是引起石墨烯褶皱的主要原因. 研究发现, Si晶体表面石墨烯的褶皱形貌强烈的依赖于退火温度. 石墨烯的褶皱形貌还将直接影响其在Si晶体表面的吸附稳定性. 这些研究结果有助于人们认识基于Si晶体衬底的石墨烯的结构形貌及其稳定性, 为石墨烯的进一步应用提供理论参考.     

网络状表面结构纳米氧化锌的发光特性

为研究表面形貌对微纳结构氧化锌晶体光学特性的影响,利用气相传输法制备了一种具有特殊表面结构的纳米氧化锌颗粒状样品.应用X射线衍射谱、电子能量散射谱和扫描电镜等对样品结构和形貌进行了分析,结果表明样品具有三种层次结构组成的网络状表面形貌|室温下以波长355 nm激光激发样品,观察到紫外峰明显被抑制的发光谱.基于样品表面周期性微结构,用时域有限差分法和严格耦合波分析法对样品发光谱特性及成因进行仿真研究.结果表明,发光谱中紫外峰的被削弱与材料能级结构无关,其形成机理缘于样品表面类蝴蝶翅膀表面微结构,类似于光子晶体表面结构颜色.     

网络状表面结构纳米氧化锌的发光特性

为研究表面形貌对微纳结构氧化锌晶体光学特性的影响,利用气相传输法制备了一种具有特殊表面结构的纳米氧化锌颗粒状样品.应用X射线衍射谱、电子能量散射谱和扫描电镜等对样品结构和形貌进行了分析,结果表明样品具有三种层次结构组成的网络状表面形貌；室温下以波长355 nm激光激发样品,观察到紫外峰明显被抑制的发光谱.基于样品表面周...     

圆柱基底上胶体晶体的制备及光学特性表征

在圆柱基底的曲面上利用垂直沉积法将胶体小球自组装生长为胶体晶体.观察了晶体形貌,搭建了光学测试系统,并对其光学特性进行了表征.讨论了不同实验参数对曲面上胶体晶体生长过程及质量的影响.实验结果表明,在合适的温度和浓度下,在毛细管曲面上制备了高质量的胶体晶体.     

一元溶剂体系HNBP结晶形貌的理论研究

本文计算了苯、甲苯、氯苯、苯甲醚4种溶剂作用下HNBP的晶面层与溶剂层的相互作用能,并对附着能进行了修正,预测了不同溶剂作用下HNBP的晶体形貌.结果表明加入不同的溶剂后,HNBP晶体的重要晶面与溶剂都呈吸引作用.苯溶剂使晶体形貌呈长形柱体状,纵横比为8.54;甲苯溶剂使晶体形貌呈片状,纵横比为7.38;氯苯溶剂使晶体形貌呈现出长方体状,纵横比为4.53;苯甲醚溶剂使晶体形貌呈菱柱状,纵横比为4.15.     

衍射增强成像方法中两种晶体排列方式的对比研究

北京同步辐射装置(BSRF)4W1A光束线形貌学实验站近两年开展了两块晶体的衍射增强成像实验研究，在实验中，晶体转轴垂直于同步辐射偏振面时的图像质量好于晶体转轴平行于同步辐射偏振面时获取的图像.本文从X光强度分布、单色器晶体的热膨胀、空间分辨率、角分辨率等方面系统地对两种晶体几何排列方式进行了比较研究.实验和理论分析的结果表明，晶体转轴垂直于同步辐射偏振面时单色器晶体上的热膨胀对成像的影响较小，因而获得了更好的成像质量. 关键词： 同步辐射 衍射增强成像 晶体衍射     

场致发射中金刚石与金属的热粘接技术研究

以分析市场对显示器件的需求为基础,为了寻找适合场致发射的最佳材料,对金刚石粉的晶体结构、颗粒形貌和尺寸进行了分析,得知其微观形貌正好满足场致发射的理论要求.由于制备大面积纳米晶体金刚石薄膜材料的周期很长,且晶体金刚石的电阻率很大并很难掺入杂质,我们选用金刚石纳米粉和能够适合大面积、大批量生产的热粘工艺,从实验上研究并确定了金刚石与金属热粘工艺的可行性,为场致发射器件的研制提供了可靠的实验依据.     

一元溶剂体系β-HMX球形化结晶形貌的分子动力学模拟

奥克托金(β-HMX)晶体形貌在很大程度上影响其安定性能、流散性和能量输出,其中溶剂对晶习的影响起着很关键的作用,因此研究溶剂对β-HMX结晶形貌影响的微观机理具有很重要的意义.运用分子动力学方法计算了五种溶剂作用下β-HMX五个重要的晶面层与溶剂层的相互作用能,对附着能进行了修正,预测了不同溶剂作用下β-HMX的晶体形貌.结果表明,β-HMX重要晶面与五种溶剂都呈吸引作用,五种溶剂都会对晶面的附着能产生很大影响,抑制晶面的生长速率,除N-甲基吡咯烷酮(NMP)外,其余四种溶剂作用下(020)面的相对生长速率都是最快的,在晶体的最终形貌中消失.二甲基亚砜(DMSO)溶剂作用下的晶体形貌相对比较好, N,N-二甲基甲酰胺(DMF)、环己酮(CH)和NMP溶剂作用下的晶体形貌次之,γ-丁内酯(GBL)溶剂作用下的晶体形貌球形度最差.     

硅单晶中片状沉淀物X射线形貌研究

本文利用X射线截面形貌术、限区形貌术、回摆形貌术以及扫描电子显微镜等方法研究了硅单晶中一个片状沉淀物,确定其组态及在晶体内的位置,并对其形成作了简略的分析。 关键词：     

掺钴氧化锌稀磁半导体的SEM及X射线能谱微分析研究

采用水热法,以CoCl₂·6H₂O为前驱物,KOH作为矿化剂合成了掺钴氧化锌稀磁半导体晶体。利用扫描电子显微镜(SEM)及X射线能谱仪(XREDS)对合成晶体的微观形貌、表面及内部掺杂元素Co的相对含量和分布的均匀性进行了研究。研究结果表明：水热法合成的掺Co氧化锌晶体具有多种微观形貌,较大的晶体具有极性生长特性。随晶体形貌不同,显露面也发生了相应改变。不同微观形貌的晶体其Co含量有所差异,较大的晶体掺杂Co元素相对含量大于较小的晶体,+c(1011)显露面Co元素的含量比+c(1010)面高,锥柱状晶体其区别尤为明显。大的晶体内部存在着少量的氧化钴团簇,晶体表面与晶体内部Co元素分布相对均匀。由于Co2+具有磁性,因此,氧化钴团簇的存在将对氧化锌稀磁半导体晶体的磁性产生一定的影响。     

Ultraviolet-assisted synthesis of hourglass-like ZnO microstructure through an ultrasonic and microwave combined technology

Well-defined hexagonal hourglass-like ZnO microstructures have been synthesized by using simultaneous ultrasound and microwave irradiation methods with the assistance of ultraviolet as well as double sonication (at 25 and 40 kHz). The structure and morphology of as-prepared samples were characterized by X-ray diffraction, scanning electron microscopy and photoluminescence spectrum. The results show the synergistic effect of ultrasound and microwave on the formation of ZnO microstructures. Meanwhile, the possible growth mechanism was proposed to elucidate the formation of hexagonal hourglass-like ZnO microstructures.     

FeMn粉末触媒对合成金刚石的影响

 利用FeMn粉末触媒在国产六面顶压机上进行了合成金刚石单晶的实验,研究了高温高压条件下（5.7 GPa、1 550 ℃）,石墨-FeMn粉末触媒体系中金刚石单晶的生长特性。通过光学成像显微镜观测表明：合成出的金刚石单晶呈浅黄色,晶形完整,且都是八面体,晶体里含有白色物质,粒度集中在0.3~0.5 mm;通过扫描电镜观测了晶体的表面形貌,表面有熔坑;通过穆斯堡尔谱,发现粉末触媒里主要是FeMn合金和独立状态的Fe,金刚石内部主要是Fe和Fe₃C;利用X射线荧光光谱,检测出样品里有Fe和Mn元素。     

Synthesis and optical properties of CuS nanoplate-based architectures by a solvothermal method

The controlled synthesis of copper sulfide (CuS) nanoplate-based architectures in different solvents has been realized at low cost by simply reaction of Cu(NO₃)₂·3H₂O and S under solvothermal conditions without the use of any template. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), UV-vis spectrometer and fluorescence measurement were used to characterize the products. The products were all in hexagonal phase with high crystallinity and the morphology was significantly influenced by the solvents. The CuS products synthesized in dimethylformamide (DMF) were nanoplates and the samples prepared in ethanol were flower-like morphology composed of large numbers of nanoplates, but those synthesized in ethylene glycol (EG) were CuS architectures with high symmetry made up of several nanoplates arranged in a certain mode. The optical properties were investigated and the growth mechanisms of these CuS crystals were also proposed.     

Rapid growth of magnetite nanoplates by ultrasonic irradiation at low temperature

Two-dimensional plate-like Fe(3)O(4) nanocrystals were synthesized by a facile method using ultrasonic irradiation in aqueous solution at low temperature without protection from oxygen. The crystals were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and Fourier Transform infrared spectroscopy. The products subjected to ultrasound showed a two-dimensional morphology. The results obtained indicate that the morphologies of the magnetite crystals depend more on the ultrasonic irradiation than on the growth temperature. The thickness and width of the crystals increased with increasing temperature of the reaction medium. In addition, the magnetic hysteresis loop of the magnetite nanoplates was obtained at room temperature.     

六角锥状ZnO纳米结构的生长机理、结构及光学性能(英文)

利用醋酸锌[Zn(CH3COO)2·2H2O]和六次甲基四胺(C6H12N4)以一定比例配置成反应溶液,通过水热合成法制备了六角锥状ZnO纳米结构。同时,使用了扫描电子显微镜(SEM)、X射线衍射和选区电子衍射(SAED),对样品的形貌与结构进行了分析。结果表明,样品形貌成六角锥状结构,并且在[002]方向择优生长。通过对样品的光学性能测试,由PL光谱分析可知,样品在379nm处有一个较强的紫外发光峰,并且在可见光区域产生了一些较弱的可见光发射峰,表明制备的六角锥状ZnO纳米结构的晶体质量不是很好。除此之外,对六角锥状ZnO的生长机理也进行了讨论。     

Structural, spectral and mechanical studies of bimetallic crystal: cadmium manganese thiocyanate single crystals

A nonlinear optical bimetallic thiocyanate complex crystal, cadmium manganese thiocyanate (CMTC) has been successfully synthesized. The growth of single crystals of cadmium manganese thiocyanate has been accomplished from aqueous solution using slow evaporation method. The presence of manganese and cadmium in the synthesized material was confirmed through energy dispersive spectrum (EDS) analysis. Structural analysis was carried out using powder X-ray diffractometer (PXRD) and crystalline perfection of the grown crystals was ascertained by high-resolution X-ray diffraction (HRXRD) analysis. Fourier transform infrared (FTIR) spectrum was taken to confirm the functional groups. The transmittance spectrum of the crystal in the UV–visible region has been recorded and the cutoff wavelength has been determined. The dielectric measurements for the crystals were performed for various frequencies and temperatures. The mechanical properties were evaluated by Vickers microhardness testing, which reveals hardness and stiffness constant of the crystals.     

纯六方相氮化铝泡沫材料的合成

在15 mL的不锈钢反应釜中,利用无水三氯化铝与叠氮化钠在无溶剂的条件下直接反应,合成出了六方结构氮化铝泡沫材料,反应温度650 ℃,反应时间3 h.扫描电子显微镜测试结果显示,该试样呈现泡沫状外貌特征.X射线衍射结果表明该试样为六方结构.不同温度条件下的吸收谱表明在202 nm附近存在尖锐的吸收峰.红外吸收谱中存在1381 cm^-1和730 cm^-1两个吸收峰.同时,提出了六方结构氮化铝泡沫材料的合成机理. 关键词： 六方氮化铝泡沫材料 合成机理 X射线衍射     

Chondroitin sulfate template-mediated biomimetic synthesis of nano-flake hydroxyapatite

By Ca(NO₃)₂·4H₂O and (NH₄)₃PO₄·3H₂O as reagents and chondroitin sulfate (ChS) as a template, nano-flake hydroxyapatite (HA) is synthesized using a biomimetic method according to the biomineralization theory. HA crystals obtained are characterized in crystalline phase, microstructure, chemical composition and morphology by X-ray diffraction (XRD), Fourier transform infrared spectroscope (FTIR), transmission electron microscopy (TEM) and elemental analysis respectively. UV-vis spectrum is adopted to investigate interactions between functional groups ChS and HA. The results show that HA crystal nucleation and growth take place in chemical interactions between HA crystals and ChS as a template. And elemental analysis indicates that obtained HA contains a small amount of ChS. Furthermore, ChS concentration significantly affects the morphology of HA crystals. Staple-fiber-like HA crystals can be obtained at a low concentration in ChS, and flake-like HA crystals synthesized at a high concentration (≥0.5 wt.%) of ChS as a template.     

Microwave-assisted synthesis of flower-like and leaf-like CuO nanostructures via room-temperature ionic liquids

Flower-like and leaf-like cupric oxide (CuO) single-crystal nanostructures have been successfully synthesized using ionic liquid 1-octyl-3-methylimidazolium trifluoroacetate ([Omim]TA) under the microwave-assisted approach. By controlling the concentration of [Omim]TA and reaction temperature, shape transformation of CuO nanostructures could be achieved in a short period of time. The results indicate that ionic liquid [Omim]TA plays an important role in the formation of different morphologies of CuO crystals. The crystal structure and morphology of products were characterized by X-ray powder diffraction (XRD), infrared spectrum (IR), scanning electron microscope (SEM), transmission electron microscopy (TEM), and selected-area electron diffraction (SAED). A possible mechanism for CuO nanostructure was proposed. In addition, UV-vis spectroscopy was employed to estimate the band gap energies of CuO crystals.     

Fabrication, morphology, and photoluminescence properties of GaN nanowires and nanorods by ammoniating Ga2O3/V films on Si(1 1 1)

GaN nanowires and nanorods have been successfully synthesized on Si(1 1 1) substrates by magnetron sputtering through ammoniating Ga₂O₃/V films at 900 °C in a quartz tube. X-ray diffraction (XRD), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), and photoluminescence (PL) spectrum were carried out to characterize the structure, morphology, and photoluminescence properties of GaN sample. The results show that the GaN nanowires and nanorods with pure hexagonal wurtzite structure have good emission properties. The growth direction of nanostructures is perpendicular to the fringes of (1 0 1) plane. The growth mechanism is also briefly discussed.