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991.
The equilibrium structures and the electronic, spectroscopic and thermodynamic properties of small Pun (n=2-5) molecules are systematically investigated using the methods of general gradient approximation (GGA) of density functional theory (DFT). The results show that the bond length of the lowest-energy structure of Pu2 is 2.578 AA. The ground state structure of Pu3 is a triangle with D3h symmetry, whereas for Pu4, the ground state structure is a square (D4h) and the spin polarization of 16 for molecule Pu5 with square geometry (D4h) is the most stable structure. For the ground state structures, the vibrational spectra as well as thermodynamic parameters are worked out. In addition, the values for the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) along with the energy gap of all the Pu2-5 structures are presented. The relevant structural and chemical stabilities are predicted. 相似文献
992.
Wide spectral white light emitting diodes have been designed and grown on a sapphire substrate by using a metal-organic chemical vapor deposition system. Three quantum wells with blue-light-emitting, green-light-emitting and red-light-emitting structures were grown according to the design. The surface morphology of the film was observed by using atomic force microscopy. The films were characterized by their photoluminescence measurements. X-ray diffraction θ/2θ scan spectroscopy was carried out on the multi-quantum wells. The secondary fringes of the symmetric ω/2θ X-ray diffraction scan peaks indicate that the thicknesses and the alloy compositions of the individual quantum wells are repeatable throughout the active region. The room temperature photoluminescence spectra of the structures indicate that the white light emission of the multi-quantum wells is obtained. The light spectrum covers 400-700 nm, which is almost the whole visible light spectrum. 相似文献
993.
994.
The effects of sapphire nitridation on GaN growth by metalorganic chemical vapour deposition
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In situ optical reflectivity measurements are employed to monitor the GaN epilayer growth process above a low-temperature GaN buffer layer on a c-plane sapphire substrate by metalorganic chemical vapour deposition. It is found that the lateral growth of the GaN islands and their coalescence are promoted in the initial growth stage if optimized nitridation time and temperature are selected when the substrate is pre-exposed to ammonia. As confirmed by atomic force microscopy observations, the quality of the GaN epilayers is closely dependent on the surface morphology of the nitridated buffer layer, especially grain size and nucleation density. 相似文献
995.
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采用二维轴对称双温度化学非平衡(2T-NCE)模型,模拟了带有水冷约束管的大气压直流电弧氩等离子体发生器.得出了不同工作参数下等离子体中电子温度、重粒子温度的变化关系,表明直流电弧等离子体有很强的非平衡特性,且变化规律十分明显. 相似文献
996.
利用能量色散X射线荧光光谱法(energy disperse X-ray fluorescence,EDXRF)对浙江嵊州小黄山与河南舞阳贾湖两处新石器时代前期遗址出土陶器的主量元素化学组成进行了分析测定.结果显示,这两处遗址出土陶器的化学组成地域特征明显,与贾湖遗址相比,小黄山遗址陶器具有我国南方陶瓷器普遍存在的“高... 相似文献
997.
对丙烷/空气在内径2 mm的圆管内的预混燃烧进行了实验研究,借助于高速数码摄像机发现了分裂火焰现象,其中一个为向上游传播的较亮的常规火焰,另一个为向下游传播的较暗的微弱火焰。这些火焰先后熄灭,经过一段时间后又重复发生自着火、分裂、反向传播、灭火过程。这种现象在富燃、化学恰当比以及贫燃火焰中都有存在。一维非稳态计算表明化... 相似文献
998.
A method of clarifying bioaerosol particles is proposed based on T-matrix. Size and shape characterizations are simultaneously acquired for individual bioaerosol particles by analyzing the spatial distribution of scattered light. The particle size can be determined according to the scattering intensity,while shape information can be obtained through asymmetry factor(AF) . The azimuthal distribution of the scattered light for spherical particles is symmetrical,whereas it is asymmetrical for non-spherical ones,and the asymmetry becomes intense with increasing asphericity. The calculated results denote that the 5 –10 scattering angle is an effective range to classify the bioaerosol particles that we are concerned of. The method is very useful in real-time environmental monitoring of particle sizes and shapes. 相似文献
999.
1000.
本文研究了班主任工作效果的评估标准及马尔可夫链评估法,并通过实例分析指出了该方法的理论依据及其特点。 相似文献