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991.
Near-infrared (NIR) persistent luminescent β-Ga2O3:Cr3+ nanowire assemblies were synthesized by a hydrothermal process followed by calcination. The phosphor exhibits more than 4 h afterglow in the wavelength range of 650-850 nm after ceasing the ultraviolet light (280-360 nm) irradiation. The trap structure and persistent luminescence mechanism were revealed by thermoluminescence measurement. The β-Ga2O3:Cr3+ nanowire assemblies may find applications as identification taggants in security and optical probes in bio-imaging. 相似文献
992.
Rui Zheng 《Journal of Molecular Spectroscopy》2011,265(2):102-105
The rovibrational spectrum of the N2-N2O van der Waals complex has been recorded in the N2O ν1 region (∼1285 cm−1) using a tunable diode laser spectrometer to probe a pulsed supersonic slit jet. The observed transitions together with the data observed previously in the N2O ν3 region are analyzed using a Watson S-reduced asymmetric rotor Hamiltonian. The rotational and centrifugal distortion constants for the ground and excited vibrational states are accurately determined. The band-origin of the spectrum is determined to be 1285.73964(14) cm−1. A restricted two-dimensional intermolecular potential energy surface for a planar structure of N2-N2O has been calculated at the CCSD(T) level of theory with the aug-cc-pVDZ basis sets and a set of mid-bond functions. With the intermolecular distance fixed at the ground state value R = 3.6926 Å, the potential has a global minimum with a well depth of 326.64 cm−1 at θN2 = 11.0° and θN2O = 84.3° and has a saddle point with a barrier height of 204.61 cm−1 at θN2 = 97.4° and θN2O = 92.2°, where θN2(θN2O) is the enclosed angle between the N-N axis (N-N-O axis) and the intermolecular axis. 相似文献
993.
The Fourier transform infrared (FTIR) absorption spectrum of the ν12 fundamental band of ethylene-d4 (C2D4) was recorded in the 1017-1137 cm−1 region with an unapodized resolution of 0.0063 cm−1. Upper state (v12 = 1) rovibrational constants consisting of three rotational and five quartic constants were improved by assigning and fitting 2103 infrared transitions using Watson’s A-reduced Hamiltonian in the Ir representation. The band centre of the A-type ν12 band is found to be 1076.98480 ± 0.00002 cm−1. The present analysis covering a wider wavenumber range and higher J and Kc values yielded upper state constants including the band centre which are more accurate than previously reported. The rms deviation of the upper state fit is 0.00045 cm−1. Improved ground state rovibrational constants were also determined from the fit of 1247 ground state combination differences (GSCD) from the presently-assigned infrared transitions of the ν12 band of C2D4. The rms deviation of the GSCD fit is 0.00049 cm−1. In the rovibrational analysis, local frequency perturbations were not detected even at high J and Ka values. The calculated inertial defect Δ12 is 0.32551 ± 0.00001 μÅ2. The line intensities of the individual transitions in the ν12 band were measured and the band strength of 39.8 ± 2.0 cm−2 atm−1 was derived for the ν12 band of C2D4. 相似文献
994.
在近红外光谱定量分析中,样品化学值测定的准确度是运用数学模型进行定量分析精确度的理论极限。但能够准确获取化学值的样品数量比较少,许多模型在建模时只考虑这部分样品数据,而不考虑大量的无化学值的样品数据。针对该问题,本文在LS-SVR的基础上,提出了可以同时利用有化学值(标签)和无化学值样品数据的半监督LS-SVR(S2LS-SVR)模型。类似于LS-SVR,该模型也只需求解一个线性方程组。最后,以烤烟样品数据集为实验材料,建立了四种样品成分(总糖、还原糖、总氮和烟碱)的定量分析模型。四种样品成分的预测值与实际值的平均误差分别为6.62%,7.56%,6.11%和8.20%,相关系数分别为0.974 1,0.973 3,0.923 0和0.948 6。经分析比较发现S2LS-SVR模型优于PLS和LS-SVR,从而验证了S2LS-SVR模型的可行性和有效性。 相似文献
995.
各种环境毒物危害着人类的生产生活,二噁英更是严重危害人类的健康.C12H4Cl4O2(2,3,7,8-tetrachlorodibenzo-p-dioxin,TCDD)是二噁英中毒性最强的化合物,也是目前已知毒性最强的污染物.为研究TCDD外场效应,采用密度泛函理论方法优化了不同静电场0–0.025 a.u.(0–1.2856×1010 V/m)作用下TCDD分子的基态几何结构,得到了分子总能量;在此基础上,采用含时密度泛函理论方法对TCDD分子的紫外-可见(UV-Vis)吸收光谱在不同外电场下的变化进行了研究.结果表明:分子几何构型与电场大小呈现强烈的依赖关系,分子总能量随着外电场的增强而减小;伴随着外电场的增强,分子激发态的摩尔吸收系数逐渐减小,UV-Vis吸收峰显著红移. 相似文献
996.
利用有机相法合成Nd3+掺杂CdSe纳米晶(CdSe∶Nd),通过X射线粉末衍射(XRD)、透射电镜(TEM)、紫外吸收光光谱及荧光光谱表征,证明Nd3+已经成功掺入到CdSe的晶格中。与纯CdSe纳米晶相比,CdSe∶Nd纳米晶的结构仍为立方晶型,且形貌近似球形,均匀分散,粒径约为2~4 nm。紫外吸收峰和荧光发射峰都发生红移,而且掺杂后的CdSe∶Nd纳米晶量子产率也提高,这可能是由于掺杂Nd3+引入了新的杂质能级,带隙减小。为了实现CdSe∶Nd纳米晶的可加工性和功能性,通过微乳法合成SiO2壳包覆的CdSe∶Nd纳米球(CdSe∶Nd@SiO2纳米球),CdSe∶Nd@SiO2纳米球呈均匀球形,直径约为100~115 nm,并且包壳后的CdSe∶Nd@SiO2纳米球发射峰(581 nm)与CdSe∶Nd纳米晶(598 nm)相比,发光强度提高且发射峰蓝移,蓝移约为17 nm,可能是因为SiO2壳可以减少纳米晶表面的非辐射跃迁以及改善表面缺陷导致的。 相似文献
997.
根据2007年4月南黄海区块(SYS)表层海水中二氧化碳分压(pCO2)的连续走航数据,结合水温(T)、盐度(S)、叶绿素 (Chla)以及pH的同步观测资料,对该海域pCO2分布特征及其主要影响因素进行了初步探讨。分析结果表明:春季南黄海pCO2的范围在365.2~734.9 μatm之间,平均值为548.0 μatm;最高值出现在121.5°E,33.4°N海域,最低值出现在123°E,32.3°N海域。受海水中物理、化学和生物因素的综合影响,pCO2的分布存在较大的不均匀性,总体上表现为西部高于东部,中间高于南北两边;在苏北浅滩和鲁南海区,pCO2与水温的变化呈正相关关系,与盐度的大小呈明显的负相关关系,而在长江入海口变化趋势则相反;此外,在整个调查海区pCO2与叶绿素、pH基本上呈负相关关系。研究将两台检测器串联进行互校,同时利用二氧化碳标准气体对其中一台仪器进行全程校准,可连续不间断观测海水和大气中的pCO2。该方法操作简单,获得的数据准确可靠,可为节能减排能力建设提供技术支持。 相似文献
998.
Thin solid polymer electrolytes based on polyethylene oxide (PEO) and silver triflate (AgCF3SO3) dispersed with various concentrations of aluminum oxide (Al2O3) nanoparticles have been prepared by solution casting technique. These thin polymer films are found to have thickness of
the order of 30 to 100 μm. The X-ray diffraction (XRD) patterns have indicated the amorphous nature of the polymer electrolyte.
The differential scanning calorimeter (DSC) traces showed slight change in the glass transition temperature (T
g) whereas the degree of crystallization (X
c) decreases markedly due to the addition of alumina nanoparticles. Fourier transform infrared (FTIR) spectral analysis of
all these samples has revealed the presence of absorption bands around 1,000 cm−1; thus indicating the complexation of silver ions with oxygen in PEO. Employing the Wagner’s polarization technique as the
standard method, the total ionic transference number for the complexed polymer electrolyte was found to be approximately unity
thereby revealing that the significant contribution to electrical conduction was due to ions only.
Paper presented at the Third International Conference on Ionic Devices (ICID 2006), Chennai, Tamilnadu, India, December 7–9,
2006 相似文献
999.
M. Ludwig P. Abell 《The European Physical Journal B - Condensed Matter and Complex Systems》2007,58(1):97-105
Social networks in communities, markets, and societies self-organise through the interactions of many individuals. In this
paper we use a well-known
mechanism of social interactions — the balance of sentiment in triadic
relations — to describe the development of social networks. Our model
contrasts with many existing network models, in that people not only
establish but also break up relations whilst the network evolves. The
procedure generates several interesting network features such as a variety
of degree distributions and degree correlations. The resulting network
converges under certain conditions to a steady critical state where temporal
disruptions in triangles follow a power-law distribution. 相似文献
1000.
N. Sankara Subramanian R. Vivek Sabaapathy P. Vickraman G. Vimal Kumar R. Sriram B. Santhi 《Ionics》2007,13(5):323-328
P-type porous silicon (PS) structure has been prepared by anodic electrochemical etching process under optimized conditions.
Photoluminescence studies of the PS structure show emission at longer wavelengths (red) for the excitation at 365 nm. Scanning
electron microscope investigations of the PS surface confirm the formation of uniform porous structure, and the pore diameter
have been estimated as 25 μm. Pd:SnO2/PS/p-Si heterojunction with top gold ohmic contact developed by conventional methods has been used as the sensor device.
Sensing properties of the device towards liquefied petroleum gas (LPG) and NO2 gas have been investigated in an indigenously developed sensor test rig. The response and recovery characteristics of the
sensor device at different operating temperatures show short response time for LPG. From the studies, maximum sensitivity
and optimum operating temperature of the device towards LPG and NO2 gas sensing has been estimated as 69% at 180 °C and 52% at 220 °C, respectively. The developed sensor device shows a short
response time of 25 and 57 s for sensing LPG and NO2 gases, respectively.
Paper presented at the Third International Conference on Ionic Devices (ICID 2006), Chennai, Tamilnadu, India, Dec. 7–9, 2006. 相似文献