钴掺杂对氧化物燃料电池电解质Ce_(0.8)Y_(0.2)O_(1.9)性能的影响(英文)

采用共沉淀法制备了细的Ce0.8Y0.2O1.9(YDC)粉末,并将其应用于钴掺杂的YDC电解质材料。研究了钴元素对材料烧结性能和电性能的影响。结果表明,钴元素显著增加了材料的密度(烧结温度在1000℃时,其密度超过理论密度的98%)和电导率(750℃时0.99S/m),同时还发现小于1μm尺寸的晶粒具有高的电导率。

基于气动悬浮的高温氧化物熔体热物性测量

堆芯熔融物的热物性是研究反应堆严重事故进程及堆内堆外现象机理的重要基础参数。当堆芯熔化时,堆内温度达3000 K,形成U-Zr-O-Fe多元混合物,而气动悬浮技术是优选的高温下测量堆芯熔融物基础热物性的技术。本文描述了一套基于气动悬浮和激光加热技术的密度、表面张力和黏度的测量装置,目前已实现高温氧化物密度的实验测量。装置采用收缩-扩张型锥形喷嘴悬浮球状样品,采用CO_(2)连续激光器加热并熔化样品,采用双色红外测温仪监测样品的温度并进行激光器功率反馈控制;采用高速相机记录样品轮廓的变化,并结合图像分析法计算样品的体积,最后得到被测材料在高温下的密度。实验测量得到2750~3200 K范围内氧化锆熔体的密度,其在熔点(2988 K)处的密度为4.717 g/cm^(3),温度系数为-7.202×10^(-4)g/(cm^(3)·K)。

The application of metal-organic frameworks and their derivatives for lithium-ion capacitors

There is an urgent need for lithium-ion capacitors(LICs)that have both high energy and high power densities to meet the continuously growing energy storage demands.LICs effectively balance the high energy density of traditional rechargeable batteries with the superior power density and long life of supercapacitors(SCs).Nevertheless,the development of LICs is still hampered by limited kinetic processes and capacity mismatch between the cathode and anode.Metal-organic frameworks(MOFs)and their derivatives have received significant attention because of their extensive specific surface area,different pore structures and topologies,and customizable functional sites,making them compelling candidate materials for achieving high-performance LICs.MOF-derived carbons,known for their exceptional electronic conductivity and large surface area,provide improved charge storage and rapid ion transport.MOF-derived transition metal oxides contribute to high specific capacities and improved electrochemical stability.Additionally,MOF-derived metal compounds/carbons provide combined effects that increase both the capacitive and Faradaic reactions,leading to a superior overall performance.The review begins with an overview of the fundamental principles of LICs,followed by an exploration of synthesis strategies and ligand selection for MOF-based composite materials.It then analyzes the advantages of original MOFs and their derived materials,such as carbon materials and metal compounds,in enhancing LIC performance.Finally,the review discusses the major challenges faced by MOFs and their derivatives in LIC applications and offers future research directions and recommendations.

胶料中的高密度金属氧化物填料

本发明涉及胶料中高密度金属氧化物的应用。从使用未处理的天然橡胶到大量使用复杂的聚合物体系(即用合成橡胶配合)，轮胎、减振器和其它产品等特殊用途用胶料已取得了长足的进步。

Density Function Theory Study on Effects of Different Energetic Substituent Groups and Bridge Groups on Performance of Carbon-Linked Ditetrazole 2N-Oxides

Based on the parent tetrazole 2N-oxide, six series of novel carbon-linked ditetrazole 2N- oxides with different energetic substituent groups （-NH2, -Na, -NO2, NF2, -NHNO2） and energetic bridge groups （-CH2-, -CH2-CH2-, -NH-, -N=N-, -NH-NH-） were designed. The overall performance and the effects of different energetic substituent groups and energetic bridge groups on the performance were investigated by density functional theory and electrostatic potential methods. The results showed that most of designed compounds have oxygen balance around zero, high heats of formation, high density, high energy, and acceptable sensitivity, indicating that tetrazole N-oxide is a useful parent energetic compound employed for obtaining high energy compounds, even only combined with some very common energetic substituent groups and bridge groups. Comprehensively considering the effects on energy and sensitivity, the -NO2, -NF2, -NH- and-NH-NH- are appropriate substituent groups for combining tetrozale N-oxide to design new energetic compounds, while -NH2, -Na, -CH2-CH2-, and -N=N- are inappropriate.

Classification of VxOy^q Clusters by △=2y＋q-5x

Vanadium oxide clusters VxOy^q（x≤8, q=0, ±1） are classified according to the oxidation index （△=2y＋q-5x） of each cluster. Density functional calculations indicate that clusters with the same oxidation index tend to have similar bonding characters, electronic structures, and reactivities. This general rule leads to the findings of new possible ground state struc- tures for V206 and V3O6＋ clusters. This successful application of the classification method on vanadium oxide clusters proves that this method is very effective in studying the bonding properties of early transition metal oxide clusters.

Engineering Ru(IV)charge density in Ru@RuO2 core-shell electrocatalyst via tensile strain for efficient oxygen evolution in acidic media

The design of efficient Ru-based electrocatalysts with high intrinsic activities for acidic water oxidation is highly desirable and challenging for water splitting in proton exchange membrane electrolyzers.Here,for the first time,we engineer the charge density of Ru(IV)by creating tensile strains in the RuO2 shell of Ru@RuO2 core-shell nanoparticles,viz.Ru@RuO2-L.High-resolution spectroscopic characterizations confirm the presence of av.6%tensile strain in Ru-O bonds,which results in an effective reduction of the Ru(IV)charge density.The resultant Ru^X+(4<X<5)active sites greatly accelerate the oxygen evolution reaction(OER)in an acidic electrolyte,leading to a remarkably low overpotential of 191 mV at 10 mA cm^-2.These values are lower than those for the benchmark RuO2 catalyst and are also among the lowest for efficient Ru-based electrocatalysts reported thus far.The specific activity and mass activity are also greatly enhanced 4.2-fold and 17.7-fold compared to those of RuO2,respectively.The acidic OER activity improvement is ascribed to the lowered adsorption energy of*OOH,owing to the reduced charge density of Ru(IV),and the rapid charge transport owing to the Ru core.Ru@RuO2-L also demonstrates high feasibility as the anode catalyst for the overall water splitting in acidic media.

Theoretical Investigations on Graphite Oxide Immersed in Water or Methanol

Different structures of graphite oxide （GO） with and without water are optimized by density functional theory. Without H20 in interlayer space, the optimized interlayer distances are about 6A, smaller than the experimental values of 6.5-7A. On the other hand, the interlayer distances of hydrated graphite oxide structures are in good agreement with experimental observations. Based on the optimized GO structures, we then simulate the immersion of GO in water or methanol by molecular dynamics. For the dry GO, water and methanol molecules do not enter the nanopore. While for the hydrated GO, the liquid molecules enter the interlayer space and enlarge the interlayer distance, semi-quantitatively reproducing the experimental phenomena.

Expression of endothelial nitric oxide synthase and vascular endothelial growth factor in association with neovascularization in human primary astrocytoma

Objective: To investigate the relationship between the expression of endothelial nitric oxide synthase (eNOS), vascular endothelial growth factor (VEGF) and angiogenesis in primary astrocytoma. Methods: Thirty-seven primary astrocytomas and 4 astrocytic hyperplasia samples were collected and divided into three groups according to histological grade. The expression of eNOS, VEGF and factorⅧ related antigen (FⅧRAg) were assayed by immunohistochemistry. Microvascular density was assessed by FⅧRAg immunoreactivity. The intensity of immunoreactivity was graded according to the percentage of positive tumor cells. Results: No eNOS and VEGF were expressed in the astrocytes and vascular endothelium in astrocytic hyperplasia. The expression of eNOS or VEGF was light in low-grade astrocytoma and strong in glioblastoma. eNOS expression in astrocytoma was very positively correlated with VEGF. eNOS and VEGF expression in anaplastic astrocytoma was median in contrast to the low grade astrocytoma and glioblastoma. Lower microvascular density was found in low grade astrocytoma than that in higher grade malignant ones. The expressions of eNOS and VEGF were correlated with microvascular density and tumor malignancy. Conclusion: This finding suggests that eNOS and VEGF may have cooperative effect in tumor angiogenesis and play an important role in the pathogenesis of primary astrocytoma.

Physical Properties of Ⅲ-Antiminodes—a First Principles Study

A comprehensive first principles study of III-Antimonide binary compounds is hardly found in literature. We report a broad study of structural and electronic properties of boron antimonide （BSb）, aluminium antimonide （AlSb）, gallium antimonide （GaSb） and indium antimonide （InSb） in zineblende phase based on density functional theory （DFT）. Our calculations are based on Full-PotentiM Lineaxized Augmented Plane wave plus local orbitals （FP- L（APWq-lo）） method. Different forms of exchange-correlation energy functional and corresponding potential are employed for structural and electronic properties. Our computed results for lattice parameters, bulk moduli, their pressure derivatives, and cohesive energy are consistent with the available experimental data. Boron antimonide is found to be the hardest compound of this group. For band structure calculations, in addition to LDA and GGA, we used GGA-EV, an approximation employed by Engel and Vosko. The band gap results with GGA-EV are of significant improvement over the earlier work.

Commercial indium-tin oxide glass:A catalyst electrode for efficient N_(2)reduction at ambient conditions

The typical Haber technical process for industrial NH_(3)production involves plenty of energy-consumption and large quantities of greenhouse gas emission.In contrast,electrochemical N_(2)reduction proffers environment-friendly and energy-efficient avenues to synthesize NH_(3)at mild conditions but demands efficient electrocatalysts for the N_(2)reduction reaction(NRR).Herein we report for the first time that commercial indium-tin oxide glass(ITO/G)can be used as a catalyst electrode toward artificial N_(2)fixation,as it demonstrates excellent selectivity at mild conditions.Such ITO/G delivers excellent NRR performance with a NH_(3)yield of 1.06×10^(-10) mol s^(-1) cm^(-2) and a faradaic efficiency of 6.17%at-0.40 V versus the reversible hydrogen electrode(RHE)in 0.5 M LiClO4.Furthermore,the ITO/G also possesses good electrochemical stability and durability.Finally,the possible reaction mechanism for the NRR on the ITO catalysts was explored using first-principles calculations.

Recent advances in pseudocapacitor electrode materials: Transition metal oxides and nitrides

Faraday pseudocapacitors take both advantages of secondary battery with high energy density and supercapacitors with high power density,and electrode material is the key to determine the performance of Faraday pseudocapacitors.Transition metal oxides and nitrides,as the two main kinds of pseudocapacitor electrode materials,can enhance energy density while maintaining high power capability.Recent advances in designing nanostructured architectures and preparing composites with high specific surface areas based on transition metal oxides and nitrides,including ruthenium oxides,nickel oxides,manganese oxides,vanadium oxides,cobalt oxides,iridium oxides,titanium nitrides,vanadium nitrides,molybdenum nitrides and niobium nitrides,are addressed,which would provide important significances for deep researches on pseudocapacitor electrode materials.

First principles study on electronic structure and optical properties of quaternary arsenide oxides YZnAsO and LaZnAsO

The electronic structure and optical properties of the tetragonal phase quaternary arsenide oxides YZnAsO and LaZnAsO were studied using density-functional theory(DFT) within generalized gradient approximation(GGA).The band structure along the higher symmetry axes in the Brillouin zone,the density of states(DOS) and the partial density of states(PDOS) were presented.The calculated energy band structures show that both YZnAsO and LaZnAsO are indirect gap semiconductors with band gap of 1.173 1 eV and 1.166 5 eV,respectively.The DOS and PDOS show the hybridization of Y-O/La-O atom orbits and Zn-As atom orbits.The dielectric function,reflectivity,absorption coefficient,refractive index,electron energy-loss function and optical conductivity were presented in an energy range from 0 to 25 eV for discussing the optical properties of YZnAsO and LaZnAsO.

Effect of Nb on plasticity and oxidation behavior of TiAlNb intermetallic compound by density functional theory

Based on the pseudo potential plane-wave method of density functional theory （DFT）, Ti1-xNbxAk （x=0, 0.062 5, 0.083 3, 0.125, 0.250） crystals＇ geometry structure, elastic constants, electronic structure and Mulliken populations were calculated, and the effects of doping on the geometric structure, electronic structure and bond strength were systematically analyzed. The results show that the influence of Nb on the geometric structure is little in terms of the plasticity, and with the increase of Nb content, the covalent bond strength remarkably reduces, and Ti-Al, Nb-M （M=Ti, Al） and other hybrid bonds enhance; meanwhile, the peak district increases and the pseudo-energy gap first decreases and then increases, the overall band structure narrows, the covalent bond and direction of bonds reduce. The population analysis also shows that the results are consistent with the electronic structure analysis. The density of states of TiAINb shows that Nb doping can enhance the activity of Al and benefit the form of Al2O3 film. All the calculations reveal that the room temperature plasticity and the antioxidation properties of the compounds can be improved with the Nb content of 8.33%-12.5% （mole fraction）.

长寿命MOS C-V分析方法——用于MOS电路参数失效分析

为了能及时地直接分析 PCM(Process Control Monitor)参数异常及电路失效原因,我们在 PCM 参数测试系统(如 HP4062,Ag 4070系列)上开发了 MOS C-V 测试分析功能。鉴于目前 MOS 工艺水平不断提高,最终产品片上硅表面空间电荷区少子产生寿命在数100μS以上,传统 C-V 分析技术不再适用,因此不能对参数失效电路进行有效分析。为此我们又在 PCM 参数测试系统上开发了一个新的 C-V 分析模式:建立 Ziegler 分析功能,以获得 MOS 晶体管沟道区掺杂剖面 N(w);利用 C/C_(ox)=0.7时的电压值计算一个等效电荷数密度 Q_(eq)/q;在 N(w)的基础上再计算其他电容参数(N,CFB,VFB,Q_(ox)/q 和 V_T 等),用以对 MOS 晶体管参数异常进行有效分析。本文给出了用此分析模式编程对 CMOS 产品电容的 C-V 测试分析结果。并简要说明如何利用 C-V 技术分析 PCM 参数异常及电路失效原因。

Advancement in Materials for Supercapacitors

As future improvement to the energy density and power density of supercapacitors relies on the availability of new materials, worldwide research has been undertaken to address this need. The recent advancement in new materials used for fabricating supercapacitors is reviewed in this paper. Among the newly emerged materials covered in this review are the activated graphene, conductive polymers, CNT （carbon nantotubes）, AC （activated carbons）, carbon additives and metal oxides for EDLC （electric double layer capacitors） and pseudocapacitors applications.

The Effects of Cells Density Arrangement in Chlorella vulgaris Culture to C02 Fixation and Essential Substances Production

Global warming that triggered the climate change is largely due to increased CO2 concentrations. Utilization of Chlorella sp. to reduce CO2 gas is a promising potential. Chlorella can efficiently reduce CO2 and easily be adapted into the photobioreactor system engineering. In this research, the type of microalgae which is used is Chlorella vulgaris in Benneck medium. The system of used reactor is mid-scale bubble column photobioreactor flowed by air which contains 5% CO2. Chlorella vulgaris biomass production will be increased by adjusting the cell density in the photobioreactor. These arrangements will be implemented through a continuous treatment of cell entrapment. The arrangement of cell density in continuous reactor has been proven to increase production of Chlorella vulgaris biomass about 1.25 times more than cultivation without arrangement of cell density by using the same number of inoculums. The results also have shown that the average rate of CO2 fixation and Carbon Transfer Rate （CTR） are obtained at cell entrapment condition about 17 times larger. Continuous cellular entrapment method is very potential to be developed as a method for the production of biomass. Lipids and carotene that have been produced from Ch. vulgaris respectively are 18.24% and 9.42 ppm.

HIGH EMISSION PERFORMANCE IMPREGNATED DISPENSER CATHODE

In order to obtain higher emission performance than that of a traditional M-type cathode, we have developed a new type impregnated dispenser cathode. The new cathode is impregnated with a new active substance with molar ratio of 26BaO·29SrO·8Sc2O3 ·7CaO·Al2O3 . This paper introduces the emission performance, surface active material, and work function of the new cathode. At 1100℃B , the DC current density and pulse current density are 30.6±1.0 A/cm2 and 171.6±2.8 A/cm2 , respectively, 2.1 and 5.4 times of that of an M-type cathode. The work function of the new cathode is 1.668± 0.002 eV. High concentration O-Al-Sc-Sr-Ba and O-Al-Sc-Ba are found in the pores and at pore edges, respectively. By comparing the emission performances and surface characteristics of as-polished and as-cleaned cathodes, it is proposed that, the emission around pore ends forms the major part of the total emission for the new cathodes.

Stable Ultrahigh Specific Capacitance of NiO Nanorod Arrays

Previously reported examples of electrochemical pseudocapacitors based on cheap metal oxides have suffered from the need to compromise between specific capacitance, rate capacitance, and reversibility. Here we show that NiO nanorod arrays on Ni foam have a combination of ultrahigh specific capacitance （2018 F/g at 2.27 A/g）, high power density （1536 F/g at 22.7 A/g）, and good cycling stability （only 8% of capacitance was lost in the first 100 cycles with no further change in the subsequent 400 cycles）. This resulted in an improvement in the reversible capacitance record for NiO by 50% or more, reaching 80% of the theoretical value, and demonstrated that a three-dimensional regular porous array structure can afford all of these virtues in a supercapacitor. The excellent performance can be attributed to the slim （〈 20 nm） rod morphology, high crystallinity, regularly aligned array structure and strong bonding of the nanorods to the metallic Ni substrate, as revealed by scanning electron microscopy （SEM）, transmission electron microscopy （TEM） and X-ray diffraction （XRD）.

High efficiency organic light-emitting diodes using CuO_x/Cu dual buffer layers

An organic light-emitting diode （OLED） device with high efficiency and brightness is fabricated by inserting CuOJCu dual inorganic buffer layers between indium-tin-oxide （ITO） and hole-transport layer （HTL）. The CuOx/Cu buffer layer limits the operating current density obviously, while the brightness and efficiency are both enhanced greatly. The highest brightness of the optimized device is achieved to be 14 000 cd/m2 at current efficiency of 3 cd/A and bias voltage of 15 V, which is about 50% higher than that of the compared device without CuOJCu buffer layer. The highest efficiency is achieved to be 5.9 cd/A at 11.6 V with 3 400 cd/m^2, which is almost twice as high as that of the compared device.