氧离子导体β-La2Mo2O9结构性质的第一性原理研究

采用第一性原理方法研究了β-La_2Mo_2O_9结构性质.研究发现结构中Mo和周围的O形成MoO_4或MoO_5两种形式的多面体,La则形成LaO_8和LaO_7多面体.O(1)、O(2)、O(3)三种氧位置的占有率分别为100%、91.7%和25%,与实验相符.对Mo-O(1)键长分析表明,在MoO_4和MoO_5两种多面体中Mo-O(1)键长劈裂成两种键长形式.所有结构组态可通过P2_13空间群的相应操作而互相转换,显示结构具有P2_13空间群的对称性.模拟结果可能是β-La_2Mo_2O_9结构在空间的局域或者本征极小结构.     

Al_2O_3微米树的制备及其发光性能研究

以草酸为电解液,采用两次阳极氧化的方法,制备了Al2O3微米树.用X射线衍射仪(XRD)、扫描电子显微镜(SEM)及荧光分光光度计对所制备的Al2O3微米树进行了分析.结果表明,在一定的实验条件下,可以得到形状类似于树状的-αAl2O3,其树干尺寸为600~800 nm,并且由-αAl2O3的颗粒均匀堆积而成.其荧光发射峰在304 nm,与氧空位有关,属于F+型(1B→1A)电子跃迁,并对其发光机制进行了讨论.     

Built-in electric field influence on impurity-free vacancy disordering of InGaAs/InP quantum well structure

Built-in electric field may enhance or retard the impurity-free vacancy disordering (IFVD) during rapid thermal annealing (RTP) by imposing a drift on charged point defects. Built-in electric field is at the interface between dielectric layer and top layer of the structure. Subsequent rapid thermal annealing leads to different intermixing results due to different field directions on InP cap layers in different doping types. Experimental results also show different influences of the built-in field on the two...     

空位晶体相场模型模拟二维晶体相形貌图

[目的]揭示空位晶体相场模型(VPFC)中二维周期性晶体相空位缺陷结构形貌。[方法]对标准晶体相场模型的自由能函数进行修正得到空位晶体相场模型,再利用空位晶体相场方程,研究二维相图中不同相晶体结构形貌图,以及晶体结构中出现空位的条件。[结果]当平均原子密度数值位于不同晶体相时,呈现出不同的二维周期性晶体结构形貌图。[结论]将晶体结构形貌图与其原子密度曲线对照,可见该模型中晶体相结构主要有六角"凸起"相、条状相和六角"凹坑"相。当平均原子密度数值位于相图中局部粒子相和六角"凸起"相之间时,二维周期性晶体结构中将出现空位,并且晶粒内部空位随机分布,空位数目与原子密度值有关。     

Biotemplated fabrication of hierarchical mesoporous CeO2 derived from diatom and its application for catalytic oxidation of CO

Hierarchically hollow nanostructures have been the focus of numerous studies due to their prominent physicochemical properties that differ significantly from bulk materials and their potential for extensive applications. We present a novel diatom-based scaffold for the synthesis of hierarchically biomorphic CeO2 with special porous structure via incorporating Ce ions into the frustule. Scanning electron microscopy, transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and nitrogen adsorption-desorption measure- ments were adopted to characterize the products. Owing to its unique hierarchical structure and periodic meso-macro scale features, the obtained CeO2 exhibits high catalytic activity in CO oxidation. This facile strategy may design a new way towards replicating desired biological structures for metal oxide catalyst in other potential applications.     

文化意象空缺与翻译中格式塔意象再造

许多文化意象只有本国或本族人才能理解,这是文化的异性使然。翻译这样的文化意象时常会面临文化意象空缺的问题,而格式塔意象再造正是翻译中文化意象传递中的一个重要手段。通过格式塔意象再造能更好地传达原文的整体含义,使异域读者一看便能心领神悟。     

Photoluminescence Properties and Photoactivities of N-doped TiO_2 Nano-powders with Oxygen Vacancies

In order to study the effect mechanism of N-doping on the visible-light photoactivity of TiO2,N-doped and un-doped TiO2 nano-powders were prepared by an acid-catalyzed sol-gel method and characterized by X-ray diffraction(XRD),X-ray photoelectron spectroscopy(XPS),electron spin resonance(ESR),UV-Vis diffuse reflection spectra(DRS),and photoluminescence spectra(PL)techniques.Their photoactivities are evaluated by the photocatalytic degradation of methylene blue(MB)in aqueous solution under UV light and visib...     

OⅡ空位对PbTiO3晶体影响的第一性原理研究

在广义梯度近似(GGA)下,利用超软赝势(USP)对理想PbTiO3晶体(以下简称理想晶体)和OⅡ空位PbTiO3晶体(以下简称OⅡ晶体)的电子云重叠布局数、态密度和能带分布等进行自洽计算.结果显示:OⅡ晶体与理想晶体相比能带向低能方向移动,而且在费米面附近O原子的2p轨道和Ti原子的3d轨道存在明显杂化,这种杂化是PbTiO3晶体保持铁电性的主要原因.氧空位使OⅠ空位PbTiO3晶体(以下简称OⅠ晶体)的氧八面体发生畸变[1],但并没有改变OⅡ晶体的结构,说明OⅡ晶体结构更加稳定.     

网架节点球数控加工夹紧信息的识别与提取

针对空间网架螺栓节点球在特定的分度夹紧装置上进行自动编程数控加工的过程 ,讨论了加工过程中夹紧信息的识别与提取 ,并以数学语言加以描述 ,有利于用计算机语言编程 ,实现螺栓节点球数控加工过程中夹紧状态判别的自动化     

C/Cr掺杂氧化钛粉体的制备与氧空位调控

采用球磨法合成碳、铬掺杂的氧化钛材料,碳、铬掺杂用于调节材料的氧空位缺陷度.应用X射线衍射仪、紫外—可见分光光度计、荧光分光光度计等表征手段测试了样品的结构和光学性能.结果表明:碳、铬掺杂使材料的氧空位缺陷发生不同程度的改变.此外,对碳、铬掺杂的氧化钛的可见光吸收增强的来源作了相应解释.