硅基钠米材料发光特性的研究进展

近年，硅基低维材料物理与工艺的研究预示，硅基光电子学将是今后半导体光电子学的一个主要发展方向，而硅基低维发光材料又将成为半导体光电子集成技术的主要基础材料。随着硅基超晶格、量子阱和多孔硅研究的不断深化以及纳米科学技术的日益发展，硅基发光材料正向纳米方向开拓。本文将主要介绍硅基纳米材料，如采用各种成膜技术在不同衬底表面上制备的高质量纳米硅（ｎｃ－Ｓｉ：Ｈ）膜，镶嵌在各种介质，如　－Ｓｉ：Ｈ、ＳｉＯ２或ＳｉＮｘ中的纳米晶硅，以及利用自组织生长的Ｇｅ、Ｓｉ以及ＧｅＳｉ纳米量子点的光致发光特性及其最近研究进展。     

Effect of Fe metal on the growth of silicon oxide nanowires

Silicon oxide (SiO_x) nanowires are generally grown on Si substrate under the catalysis of Au in N₂ atmosphere at elevated temperatures. Because the price of Au metal is quite high, Fe metal is then used to replace a part of Au for catalyzing the growth of SiO_x nanowires. The results show that the Fe film can be used as the diffusion barrier of Au. SiO_x nanowires are grown on Au/Fe/Si substrate at 1030℃. Under the catalysis of Fe/Au, the efficiency for the growth of SiO_x nanowires is promoted.     

硅基半导体光电子材料的第一性原理设计

具有特定功能的半导体材料的计算设计，是计算材料科学的一个重要研究领域．由于半导体的诸多性质取决于价带顶和导带底的电子态及其中的载流子分布，因此带隙的大小和能带极值的对称性便成为半导体材料设计最受关注的问题．为了进一步解决硅基光电子集成（OEIC）技术发展的瓶颈．设计具有直接带隙特性的硅基新材料并使其成为有效的光发射体，是一项富有挑战性的工作．本文在分析大量半导体能带结构的基础上，给出类sp系列半导体由间接带隙过渡到直接带隙的主要物理机制，并以对称性概念、芯态效应和电负性差效应为基础，提出一种新的直接带隙半导体材料设计方案．根据这个方案所表达的设计思想，我们对当前十分受关注的硅基光发射材料进行了计算设计．结果发现，用VI族元素在硅生长时进行周期性插层的、具有正交和四角点群对称性的人工微结构材料VIA／Sim／VIB／Sim／VIA具有直接带隙特性．其中当m=5或奇数时，材料有四角结构对称性，而m=6或偶数时是正交结构对称性．VI“。。是在〈001〉生长方向生长的单层VI族元素．这类材料的优点在于可自然地与硅实现晶格匹配，与微电子技术相兼容，并可较容易的用现行的MBE、MOCVD或UHV-CVD生长方法实现．预期这类新材料及其相应器件的研制开发．将大大开拓全硅OEIC和硅光子集成（PIC）技术的进一步发展．     

Silicon-based nanomaterials for lithium-ion batteries

Silicon-based nanomaterials have been of scientific and commercial interest in lithium-ion batteries due to the low cost,low toxicity,and high specific capacity with an order of magnitude beyond that of conventional graphite.The poor capacity retention,caused by pulverization of Si during cycling,triggers researchers and engineers to explore better battery materials.This review summarizes recent work in improving Si-based anode materials via different approaches from diverse Si nanostructures,Si/metal nanocomposites,to Si/C nanocomposites,and also offers perspectives of the Si-based anode materials.     

Surface chemical structure of titania-silica nanocomposite powder

Titania-silica （TS） nanocomposite powder with three different composite structures, containing 10-30 mol% SiO2 in each structure, have been prepared by sol-gel processes. The surface characteristics of these titania-silica samples have been investigated by X-ray photo-emission spectroscopy （XPS） and high resolution transmission electron microscopy （HRTEM）. The study for all TS oxides annealed at 773 and 1173 K showed： an abnormal surface enrichment in Si increased with increasing annealing temperature; the Ti^3＋, Ti^2＋, Si^3＋ and Si^2＋ oxides coexisted with Ti^4＋ and Si^4＋ oxides, and the contents of these Ti/Si suboxides increased with increasing SiO2 content and annealing temperature; there was a layer rich in O on the topmost surface and the excess O could be attributed to the chem-adsorption of H2O; different composite structures could lead to different contents of Ti/Si suboxides. These results indicated that the surface of TS oxide powder derived by sol-gel process was a double layer with enriched O first and then SiOx/TiOy（x, y〈2）. Ti/Si suboxides could result from the thermal diffusion of Ti^4＋ and Si^4＋, which might be induced by the strong interaction between Ti^4＋ and Si^4＋.     

White organic light-emitting devices using Zn（BTZ）2 doped with Rubrene as emitting layer

Zn(BTZ)2 was synthesized from the complex reaction between zinc acetate dihydrate and 2-(2-hydroxyphenyl) benzothiazolate. Then Zn(BTZ)2 was used as main light-emitting material doped with different amounts of fluorescent dye Rubrene and fabricated a series of white organic light emitting devices. The configurations were as follows: ITO/PVK:TPD/Zn(BTZ)2:Rubrene/Al. The doping concentration of Rubrene in Zn(BTZ)2 was 1.2%, 0.12%, 0.08% and 0.05%, respectively. According to the EL spectra and CIE coordinates of the above devices, the optimum doping concentration (0.05%, weight percent) had been determined. The steady and bright white light emitting of the device with 0.05% doping concentration had been obtained, and the white emission covered a wide range of driving voltage (10--22.5 V). The CIE coordinates were (x=0.341, y=0.334) at the driving voltage of 20 V, which was very close to the equi-energy point (x=0.333, y=0.333), and the corresponding luminance and external quantum efficiency were 4048 Cd/m^2 and 0.63% (4.05 Cd/A), respectively. Lastly, we also discussed the emitting mechanisms of the material and the devices.     

Performance improvement of hybrid polymer membranes for wastewater treatment by introduction of micro reaction locations

This article reviews the progresses on polymer membranes embedded with novel inorganic nanomaterials to provide micro reaction locations (MRLs) in the polymer matrices for wastewater treatment. Ultrafiltration (UF) membranes, especially polyvinylidene fluoride (PVDF) and polysulfone (PSF) membranes, are broadly applied in wastewater treatment. The strategy of embedding functional nanomaterials into the polymer matrices has been extensively investigated to enhance the integrated properties of polymer membrane. Nevertheless, the performance enhancement just comes from physical interactions between nanomaterials and wastes, while the chemical interactions are not involved, thus limiting further improvements. In order to further enhance the integrated properties of polymer membranes, functional inorganic nanomaterials that can chemically react with the wastes are proposed and embedded into the polymer membranes to form many MRLs. In this paper, the strategies for embedding functional nanomaterials such as sulfated TiO₂ deposited SiO₂ nanotubes, solid superacid porous ZrO₂ shell/void/TiO₂ core particles and porous Y_xFe_yZr_1-x-yO₂ coated TiO₂ solid superacid nanoparticles in polymer membranes were presented and the enhancement effect of MRLs on their integrated properties for wastewater treatments was discussed. Therefore, polymer membranes embedded with functional inorganic nanomaterials with MRLs are potentially applied in various wastewater treatments.     

Nb5N6 thin film on silicon and silicon oxide: A good material for terahertz detection

Voltage responsivity of bolometer will benefit from high temperature coefficient of resistance （TCR） of the material. The Nb5N6 thin solid films we proposed in this paper have high TCR, compared with the commonly-used materials such as Nb and Bi. The films were sputtered on Si（100）, SiO2/Si（100）, SiO2 substrates by using radio frequency （rt） magnetron sputtering. The deposition conditions have been optimized to get high TCR. The highest TCR is over 0.91% K^-1 at 300 K and up to 4.5% K^-1 -7% K^-1 at 78 K, which is good enough to be used in terahertz detection and thermometer fabrication in the range from 78 K to 300 K.     

Preparation and thermal stability of Pd<Subscript>40.5</Subscript>Ni<Subscript>40.5</Subscript>Si<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>P<Subscript>19−<Emphasis Type="Italic">x</Emphasis></Subscript> bulk metallic glasses

With the addition of Si to replace some P, Pd_40.5Ni_40.5Si _x P_19−x (x=0, 2.5, 5, 9.5, 14, and 19 in atomic number fraction) bulk glassy samples with the diameter of about 5 mm were successfully prepared by use of flux treatment and water quenching technology. With the increase of Si content, the glass forming ability of Pd_40.5Ni_40.5Si _x P_19−x increases first for low Si content and then decreases for high Si content (Si≥9.5at%). The Pd_40.5Ni_40.5Si ₅ P₁₄ glassy alloy possesses the largest supercooled liquid region ΔT of 119 K, the largest reduced glass transition temperature of 0.621, and the largest γ parameter of 0.460, indicating that this glassy alloy possesses very large glass forming ability and very high thermal stability.     

Supermolecular layered double hydroxides

Research progresses in the layered double hydroxides [M _(1-x ^)/2+ M _x ³⁺ (OH)₂] ^x+ A _x ^n/n− ·mH₂O intercalated with metal coordinate ions or oxometalates in the last ten years are reviewed. These layered double hydroxides are mainly intercalated with polyoxometalate (POM) ions, a LiAl-LDH photochemical assembly containing TiO₂ and CH₃(CH₂)₁₂COO⁻ anions, together with Zn(TPPC) (porphyrin derivate) and macrocyclic ligand-containing porphyrin derivate anions. Emphasis is put on the synthesis methods for intercalation of the anions into the interlayer regions, the characterization techniques and structures for the layered compounds and the newest research progress in the fields such as catalysis. The review also forecasts the prospects of the field.     

The preparation and characterization of amorphous SiCN thin films

Radio Frequency plasma enhanced Chemical Vapor Deposition (RF CVD) using N₂, SiH₄ and C₂H₄ as the reaction sources was used to prepare amorphous ternary Si _x C _y N _z thin films. The chemical states of the C, Si and N atoms in the films were characterized by X-ray photoelectron spectroscopy (XPS) and Fourier Transform Infrared Spectroscopy (FTIR). The refractive indexn, extinction coefficientk and optical band gapE _opt of the thin films were investigated by UV-visible spectrophotometer and spectroscopic ellipsometer. The results show that a complex chemical bonding network rather than a simple mixture of Si₃N₄, SiC, CN _x and a-C etc., may exist in the ternary thin films. Then's of the films are within the range of 1. 90–2. 45, andE _opt's of all samples are within the range of 2. 71–2. 86 eV. Foundation item: Supported by the National Natural Science Foundation of China (19975035) Biography: Li Jin-chai (1946-), male, Professor, research direction: novel functional materials films & ion beam modification of materials.     

Phase modification and dielectric properties of a cullet-paper ash-kaolin clay-based ceramic

Novel ceramics from waste material made of (x) paper ash-(80-x) cullet-20 kaolin clay (10wt% ≤ x ≤ 30wt%) were successfully synthesized using a conventional solid-state reaction technique. Energy-dispersive X-ray analysis confirmed the presence of Si, Ca, Al, and Fe in the waste material for preparing these ceramics. The influence of the cullet content on the phase structures and the dielectric properties of these ceramics were systematically investigated. The impedance spectra were verified in the range from 1 Hz to 10 MHz at room temperature. The phase of the ceramics was found to primarily consist of wollastonite (CaSiO₃), along with minor phases of γ-dicalcium silicate (Ca₂SiO₄) and quartz (SiO₂). The sample with a cullet content of 55wt% possessed the optimum wollastonite structure and exhibited good dielectric properties. An increase of the cullet content beyond 55wt% resulted in a structural change from wollastonite to dicalcium silicate, a decrease in dielectric constant, and an increase in dielectric loss. All experimental results suggested that these novel ceramics from waste are applicable for electronic devices.>     

硅基介孔材料的合成及表征

本文重点介绍了硅基介孔材料的特性、合成机理、表征方法、改性和应用。通过分析表明,硅基介孔材料是一种新的具有巨大潜在应用前景材料。并指明了硅基介孔材料的发展方向。     

利用硅模板制备硅基纳米体系的研究进展

硅基纳米体系的研究是在充分利用硅材料所拥有的传统技术优势的基础上,将纳米材料所具备的新特性结合起来,设计出高度集成的硅基纳米器件.为实现这个目标,合适的硅基模板是至关重要因素.近年来多孔硅一直被视为一种很好的制备硅基纳米体系的衬底和自组装模板.在综述多孔硅做模板制备硅基纳米体系和我们最新研究进展的基础上,就其所面临的问题、可能的解决方案和未来的发展趋势做出了分析.     

Detecting MoS2 and MoSe2 with optical contrast simulation

Optical imaging is a promising method to identify and locate 2D materials efficiently and non-invasively. By putting a 2D material on a substrate, the nanolayer will add to an optical path and create a contrast to the case when the nanolayer is absent. This optical contrast imaging can be used to identify the 2D material and its number of layers. To make the optical imaging process in the laboratories an effective tool, Fresnel Law as a model was used to simulate the optical imaging results of 2D materials(graphene, Mo S2 and MoSe_2) on top of different thickness of SiO_2 and Si wafer in the present investigation. The results provide the details of the optimal conditions(optimal light wavelength and optimal SiO_2 thickness) to identify and locate single to few 2D nanolayers, which can be used directly in laboratories. The optical contrasts of 1–5 layers of molybdenum disulfide(MoS_2) and molybdenum diselenide(MoSe_2) were simulated. To the best of our knowledge, it is the first time that the optical contrast results of MoSe_2 have been reported. In particular, this work highlights the sensitivity of the model on the accuracy of the refractive indices used. It is demonstrated that through computational modeling that optical contrast can allow effective determination of number of layers in few layer 2D materials.     

Silicon field emission arrays coated with CN<Subscript>x</Subscript> thin films

Arrays of silicon micro-tips were made by etching the p-type (1 0 0) silicon wafers which had SiO₂ masks with alkaline solution. The density of the micro-tips is 2×10⁴ cm⁻². The Scanning Electron Microscope (SEM) photos showed that the tips in these arrays are uniform and orderly. The CN_x thin film, with the thickness of 1.27 μm was deposited on the silicon micro-tip arrays by using the middle frequency magnetron sputtering technology. The SEM photos showed that the films on the tips are smoothly without particles. Keeping the sharpness of the tips will benefit the properties of field emission. The X-ray photoelectron spectrum (XPS) showed that carbon, nitrogen and oxygen are the three major elements in the surfaces of the films. The percents of them are C: 69.5%, N: 12.6% and O: 17.9%. The silicon arrays coated with CN_x thin films had shown a good field emission characterization. The emission current intensity reached 3.2 mA/cm² at 32.8 V/μm, so it can be put into use. The result showed that the silicon arrays coated with CN_x thin films are likely to be good field emission cathode. The preparation and the characterization of the samples were discussed in detail. Foundation item: Supported by the National Natural Science Foundation of China (19975035) Biography: Chen Ming an (1978-), male, Ph. D candidate, research direction: novel functional materials film and ion beam modification of materials.     

Morphological evolution and kinetic enhancement of Li2FexMn1-xSiO4/C cathodes for Li-ion battery

Li_2MnSiO_4-based cathode materials possess reasonable work potentials and high theoretical capacities,while the practical energy/power densities are constrained by their inferior kinetics of Li~+ diffusion.In this work,the Pmn2_1-structure Li_2Fe_xMn_(1-x)SiO_4/C materials were synthesized via a solvothermal method and evaluated as Liion cathode materials,with notable morphological evolutions and tunable crystallographic habits observed after solvothermal process.The Li_2Fe_(0.33)Mn_(0.67)SiO_4/C material delivers an initial reversible capacity of 250.2mAh g~(-1)at 0.1 C(～1.51 Li~+insertion/extraction,1 C=166 mA g~(-1)),excellent high-rate capability(52.2 mAh g~(-1)at 5 C),and good long-term cyclability(64.6%after 196 cycles at 2 C).The enhanced electrochemical properties are attributed to the boosted ion/electron transports induced by preferred morphological and structural characteristics of Li_2Fe_(0.33)Mn_(0.67)SiO_4/C.     

Preparation and luminescence characteristics of Sr3SiO5：Eu^2＋ phosphor for white LED

The Sr3SiO5：Eu^2＋ phosphor was synthesized by high temperature solid-state reaction. The emission spectrum of Sr3SiO5：Eu^2＋ shows two bands centered at 487 and 575 nm, which well agree with the theoretic values of emission spectrum. The excitation spectrum for 575 nm emission center has several excitation bands at 365, 418, 458 and 473 nm. And the results show that the emission spectrum of Sr3SiO5：Eu^2＋ is influenced by the Eu^2＋ concentration. The relative emission spectra of the white-emitting InGaN-based YAG：Ce^3＋ LED and Sr3SiO5：Eu^2＋ LED were investigated. The results show that the color development of InGaN-based Sr3SiO5：Eu^2＋ is better than that of InGaN-based YAG：Ce^3＋, and the CIE chromaticity of InGaN-based Sr3SiO5：Eu^2＋ is （x=0.348, y=0.326）.     

二维Ti3C2Tx MXene材料的制备与工艺优化

二维（2D）过渡金属碳/氮化物（MXene）材料是当前最受关注的二维材料之一,其中二维碳化钛（Ti₃C₂T_x MXene）材料的研究最为广泛。该材料目前主要通过刻蚀三元碳化物或氮化物（MAX相）后进一步插层得到,因此MAX相材料的纯度和制备工艺条件直接决定了Ti₃C₂T_x MXene材料的物化性质。主要完成了不同Ti₃AlC₂ MAX相材料的筛选,选择氢氟酸（HF）刻蚀,并优化了不同的插层方法,制备了一系列Ti₃C₂T_x MXene材料。通过X射线衍射（XRD）、场发射扫描电镜（FESEM）、透射电子显微镜（TEM）、原子力显微镜（AFM）和X射线光电子能谱（XPS）等表征,确定使用原位锂离子（Li⁺）插层法可有效获得单层Ti₃C₂T_x MXene材料。制备的单层Ti₃C₂T_x MXene材料的表面平整,片径约为150 nm,厚度约为2 nm。同时,创新性地采用涡旋震荡辅助材料分层,极大地缩短了超声时间,提高了单层Ti₃C₂T_x MXene材料的产率（可达70%）,并且可以避免材料氧化,为Ti₃C₂T_x MXene材料未来应用提供了新方法。     

Oxidation and interdiffusion behavior of a germanium-modified silicide coating on an Nb-Si-based alloy

To investigate the interdiffusion behavior of Ge-modified silicide coatings on an Nb-Si-based alloy substrate, the coating was oxidized at 1250℃ for 5, 10, 20, 50, or 100 h. The interfacial diffusion between the (Nb,X)(Si,Ge)₂ (X=Ti, Cr, Hf) coating and the Nb-Si based alloy was also examined. The transitional layer is composed of (Ti,Nb)₅(Si,Ge)₄ and a small amount of (Nb,X)₅(Si,Ge)₃. With increasing oxidation time, the thickness of the transitional layer increases because of the diffusion of Si from the outer layer to the substrate, which obeys a parabolic rate law. The parabolic growth rate constant of the transitional layer under oxidation conditions is 2.018 μm·h-1/2. Moreover, the interdiffusion coefficients of Si in the transitional layer were determined from the interdiffusion fluxes calculated directly from experimental concentration profiles.