A new direct band gap silicon allotropeο-Si32

Silicon is a preferred material in solar cells,and most of silicon allotropes have an indirect band gap.Therefore,it is important to find new direct band gap silicon.In the present work,a new direct band gap silicon allotrope of o-Si32 is discovered.The elastic constants,elastic anisotropy,phonon spectra,and electronic structure of o-Si32 are obtained using first-principles calculations.The results show that o-Si32 is mechanically and dynamically stable and is a direct semiconductor material with a band gap of 1.261 e V.     

以1，4-二硝基苯甲酸及邻菲啰啉为配位的镧系金属配位聚合物的合成、结构及性质研究

以1,4-二硝基苯甲酸（HL）和1,10-邻菲罗啉（phen）为配体,通过水热法与镧系金属盐合成了7个一维链状配位聚合物,其分子式为[Ce₂L₆（phen）₂]_n（1）和[LnL₃phen]_n（Ln=Sm,2;Eu,3;Gd,4;Tb,5;Dy,6;Er,7）。由X-射线单晶衍射测定了化合物晶体结构,通过磁性以及荧光测试表征了部分化合物的磁性和荧光性质。     

2,2'-联吡啶-3,3',6,6'-四羧酸过渡金属配合物的合成、结构及性质

以2,2'-联吡啶-3,3',6,6'-四羧酸(H₄bptc)为配体,通过水热合成的方法与过渡金属盐合成了3个配合物,其分子式分别为[Co₂(H₂bptc)₂(H₂O)₄]·bpe·9H₂O(1),[Ni₂(H₂bptc)₂(H₂O)₄]·bpe·9H₂O(2),[Ni₂(H₂bptc)₂(H₂O)₄]·0.5bpp·7H₂O(3)(bpe=1,2-二(4-吡啶基)乙烯,bpp=1,2-二(4-吡啶基)乙烷)。用红外光谱,X-射线单晶衍射对化合物的晶体结构进行了表征,并对这3个配合物的热稳定性进行了测试。化合物1~3为单核结构的配合物,它们均通过分子间氢键形成三维超分子结构。     

基于微拉曼光谱技术的氧化介孔硅热导率研究

利用基于有效介质理论的介孔硅传热机理，提出一个用于分析氧化介孔硅热导率的理论模型，对影响氧化介孔硅有效热导率的因素进行了理论分析，得出用于计算氧化介孔硅有效热导率的计算公式. 采用双槽电化学腐蚀法制备介孔硅，利用微拉曼光谱技术研究了氧化介孔硅热导率随所制备介孔硅孔隙率的变化规律，比较了经不同温度处理的氧化介孔硅的导热性能差异. 孔隙率为60%，73.4%和78.8%的所制备介孔硅经300℃氧化处理后，其热导率值为8.625W/(m·K)，3.846W/(m·K)和1.817W/(m·K)；孔隙率为73.4 关键词： 理论模型 氧化介孔硅 微拉曼光谱 有效热导率     

向量优化问题有效解的稳定性

运用标量化的方法,通过锥正定真有效解的上半连续性讨论了无限维赋范空间中锥有效解的部分上半连续性,证明了锥有效解的通有稳定性.在此基础上,进一步证明,在Baire纲的意义下,绝大多数的向量优化问题至少存在一个锥正定真有效解是本质的有效解,换句话说,绝大多数的向量优化问题锥有效解是几乎下半连续的.     

制备工艺对多孔阳极氧化铝特性的影响

通过对草酸溶液中制备的多孔阳极氧化铝(PAA)的形貌、晶态结构和光致发光(PL)特性的表征和机理分析,研究了草酸电解液浓度、阳极氧化电压和退火等丁艺对PAA的形成及特性的影响.PAA的孔径在50～120 nm之间,且随着阳极氧化电压的升高而增大,而受电解液浓度的影响较小.X射线衍射结果表明:PAA为非晶态结构,退火之后结晶,并有多相共存.PL测试表明PAA在375～500 nm之间有一较宽的蓝色发光带,发光峰在425 nm左右,是由氧空位引起的,且其峰强可通过改变阳极氧化电压和草酸浓度等参数来调制.     

Sensing Characteristics of Shear-Mode A1N Solidly Mounted Resonators with a Silicone Microfluidic System in Viscous Media

A1N solidly mounted resonators with silicone microfiuidic systems vibrating in shear mode are fabricated and characterized. The fabrication process is compatible with integrated circuits and the c-axis tilted A1N films are deposited, which allow in-liquid operation through excitation of the shear mode. The silicone microfluidic system is mounted on top of the sensor chip to transport the analyses and confine the flow to the active area. The properties of sensor operation in air, deionized water, ethanol, isopropanol, 80% glycol aqueous solution, glycol, and olive oil are characterized. The effects of different viscosities on the resonance frequency shift and Q-factor of the sensor have been discussed. The sensitivity and Q value in glycol of the sensor are 1.52 MHz cm2/μg and around 60, respectively. The results indicate the potential of a highly sensitive microfiuidic sensor system for the applications in viscous media.     

A study of transition from n-to p-type based on hexagonal WO3 nanorods sensor

Hexagonal WO3 nanorods are fabricated by a facile hydrothermal process at 180 ℃ using sodium tungstate and sodium chloride as starting materials. The morphology, structure, and composition of the prepared nanorods are studied by scanning electron microscopy, X-ray diffraction spectroscopy, and energy dispersive spectroscopy. It is found that the agglomeration of the nanorods is strongly dependent on the PH value of the reaction solution. Uniform and isolated WO3 nanorods with diameters ranging from 100 nm-150 nm and lengths up to several micrometers are obtained at PH = 2.5 and the nanorods are identified as being hexagonal in phase structure. The sensing characteristics of the WO3 nanorod sensor are obtained by measuring the dynamic response to NO2 with concentrations in the range 0.5 ppm-5 ppm and at working temperatures in the range 25 ℃-250 ℃. The obtained WO3 nanorods sensors are found to exhibit opposite sensing behaviors, depending on the working temperature. When being exposed to oxidizing NO2 gas, the WO3 nanorod sensor behaves as an n-type semiconductor as expected when the working temperature is higher than 50 ℃, whereas, it behaves as a p-type semiconductor below 50 ℃. The origin of the n- to p-type transition is correlated with the formation of an inversion layer at the surface of the WO3 nanorod at room temperature. This finding is useful for making new room temperature NO2 sensors based on hexagonal WO3 nanorods.     

Preparation and modification of VO_2 thin film on R-sapphire substrate by rapid thermal process

The VO2 thin film with high performance of metal-insulator transition （MIT） is prepared on R-sapphire substrate for the first time by magnetron sputtering with rapid thermal process （RTP）. The electrical characteristic and THz transmittance of MIT in VO2 film are studied by four-point probe method and THz time domain spectrum （THz-TDS）. X-ray diffraction （XRD）, X-ray photoelectron spectroscopy （XPS）, atomic force microscopy （AFM）, and search engine marketing （SEM） are employed to analyze the crystalline structure, valence state, surface morphology of the film. Results indicate that the properties of VO2 film which is oxidized from the metal vanadium film in oxygen atmosphere are improved with a follow- up RTP modification in nitrogen atmosphere. The crystallization and components of VO2 film are improved and the film becomes compact and uniform. A better phase transition performance is shown that the resistance changes nearly 3 orders of magnitude with a 2-~C hysteresis width and the THz transmittances are reduced by 64% and 60% in thermal and optical excitation respectively.     

Fabrication of VO_2 thin film by rapid thermal annealing in oxygen atmosphere and its metal–insulator phase transition properties

Vanadium dioxide thin films have been fabricated through sputtering vanadium thin films and rapid thermal annealing in oxygen. The microstructure and the metal–insulator transition properties of the vanadium dioxide thin films were investigated by X-ray diffraction, X-ray photoelectron spectroscopy, and a spectrometer. It is found that the preferred orientation of the vanadium dioxide changes from(1ˉ11) to(011) with increasing thickness of the vanadium thin film after rapid thermal annealing. The vanadium dioxide thin films exhibit an obvious metal–insulator transition with increasing temperature, and the phase transition temperature decreases as the film thickness increases. The transition shows hysteretic behaviors, and the hysteresis width decreases as the film thickness increases due to the higher concentration carriers resulted from the uncompleted lattice. The fabrication of vanadium dioxide thin films with higher concentration carriers will facilitate the nature study of the metal–insulator transition.