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1.
H2+He流体混合物在高温高压下由于氢的离解化学反应形成由H2,H,He三种粒子构成的混合体系,此时粒子间的相互作用较为复杂,离解能也会由于粒子间的这种复杂相互作用而降低.本文利用自洽流体变分理论来研究部分离解区H2+He流体混合物的高温高压物态方程,模型考虑了各种粒子间的相互作用及由温致和压致效应引起的离解能降低的自洽变分修正,并通过自洽流体变分过程对非理想的离解平衡方程求解得到粒子数密度分布,进而对自由能求导获得体系的热力学状态参量.计算结果与已有的冲击波实验数据、蒙特卡罗模拟及其他理论计算进行了比较. 相似文献
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SiGe quantum dots (QDs) grown by ultra-high vacuum chemical vapor deposition using H2 and He carrier gases are investigated and compared. SiGe QDs using He carrier gas have smaller dot size with a better uniformity in terms of dot height and dot base as compared to the H2 carrier gas. There is a higher Ge composition and less compressive strain in the SiGe QDs grown in He than in H2 as measured by Raman spectroscopy. The Ge content is higher for He growth than H2 growth due to hydrogen induced Si segregation and the lower interdiffusivity caused by the more strain relaxation in the He-grown SiGe dots. The photoluminescence also confirms more compressive strain for H2 growth than He growth. Hydrogen passivation and Ge-H cluster formation play an important role in the QDs growth. 相似文献
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Hitoshi Ohta Susumu Okubo Shojiro Kimura Tsuyoshi Tanaka Hikomitsu Kikuchi Hiroshi Nagasawa 《International Journal of Infrared and Millimeter Waves》2001,22(3):387-391
Developments of the high field ESR system in Kobe University is presented. Using Gunn oscillators and backward traveling oscillators (BWO), we can cover the frequency region from 30 to 1183.6 GHz with the use of InSb detector. Pulsed magnetic field up to 30 T is available and we are now trying to extend the field up to 40 T. Temperature range is from 1.8 to 300 K. Using this system, we studied S=1/2 ladder like system Cu2(C5H12N2)2Cl4, and found a new magnetic transition at 10.1 T at 1.8 K. The temperature dependence of ESR in Cu2(C5H12N2)2CI4 shows g-shift below 8 K which corresponds to the maximum of the magnetic susceptibility. The g-shift below 8 K suggests the increase of the quantum fluctuation in the system, and the role of the quantum fluctuation in Cu2(C5H12N2)2CI4 is discussed. 相似文献
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A new Penning-electron-Penning-ion coincidence method is described. It is applied to the study of the thermal reaction of He(23S) with H2. The main results reported are separate electron energy spectra that are coincident with the three different ions formed: HeH2+, HeH+ and H2+. Based on these results it is shown that the Penning reaction of the He(23S)/H 2 system proceeds in two well-separated steps: (i) ionization at distances R (HeH2) ? 6a0 in which H2+ (v) is formed in different vibrational states; and (ii) reactive collision of H2+ (v) with He. For the second step the variation of the branching ratios with vibrational quantum numbers v = 0 to v = 10 is derived, and it is shown that these branching ratios may be regarded as relative vibrational-energy-dependent cross-sections for the collision of H2+ (v) with He at an average relative kinetic energy of ~20 meV. 相似文献
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利用熔融KOH和Co3O4在较低温度(480℃)下反应制备出K0.36CoO2,然后用高锰酸钾溶液和饱和的过硫酸钾溶液进行氧化处理.氧化的同时伴随有水分子嵌入.K0.36CoO2用高锰酸钾和过硫酸钾溶液处理后分别得到K0.12CoO2·0.8H2O和K0.16CoO2·0.6H2O.这两种化合物都属于六角晶系,表现出金属行为,脱水后主相变为正交结构并且呈现出半导体特性.K0.16CoO2·0.6H2O在56K附近可能存在自旋玻璃转变行为或其他涨落.随着钾含量的减少和水含量的增多,样品的自旋玻璃行为受到抑制或发生磁性相分离.样品K0.12CoO2·0.8H2O在零场冷却和有场冷却曲线上的分叉现象基本上消失.还讨论了产生KxCoO2与NaxCoO2体系结构和物性差别的原因.
关键词:
xCoO2')" href="#">KxCoO2
晶体结构
自旋玻璃态
磁性 相似文献
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W.F. Wang 《Journal of Quantitative Spectroscopy & Radiative Transfer》2003,76(1):23-30
First-order quantum corrections were introduced into the computation of the second-virial coefficients of H2 and D2. The quantum effects, for the studied two light molecules, are considerable even at the room temperature and become prominent at low temperatures. Atomic potentials, incorporating the quadrupole interactions, were employed in the calculations. Optimum atomic-potential parameters εH, σH, εD and σD were obtained from the nonlinear least-squares fit of the experimental second-virial coefficients. The fitted virial coefficients cover the temperature ranges of 173-423 and 153- for H2 and D2, respectively. 相似文献
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Nonlinear optical properties of Fe2O3 nanoparticles were investigated by the signal-beam Z-scan technique with Ar+ and Ne–He lasers. The largest reported effective nonlinear coefficient, n2=−8.07×10−7 cm2/W, was obtained. It is demonstrated that the nonlinear optical response originals from quantum confinement effect. 相似文献
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The electronic structure and energy of La2Ni10H12 and La2Ni10H11He (He is at tetrahedral, octahedral or twelve-face polyhedral interstitials) double cells have been calculated using the
density functional theory. Their equilibrium structure, energy bands, electronic density of states (DOS) and X-ray diffraction
are presented and discussed. The results indicate the helium-3 produced due to the decay of tritium is most possibly sited
at twelve-face polyhedral and octahedral interstices and changes the thermodynamic properties of LaNi5 tritide system. The changes due to aging such as the reduction in the isotherm plateau pressure, increase of the isotherm
plateau slope, and appearance of deeply trapped hydrogen are caused not only by the lattice expansion, but also by modification
of the electronic structure due to the presence of He. 相似文献
11.
Luciano A. Leal Wiliam F. da Cunha Luiz F. Roncaratti Geraldo M. e Silva 《Molecular physics》2016,114(3-4):440-445
ABSTRACTBased on ab initio calculations, our research group has built an analytical ground-state potential energy surface (PES) for hydrogen peroxide– noble gas (Ng) interactions, such as H2O2–He, H2O2–Ne, H2O2–Ar, H2O2–Kr, and H2O2–Xe complexes. From this PES, it was verified that the Ng presence does not affect the equilibrium values of the H2O2 dihedral angles. This happens because the H2O2 intramolecular barriers have much higher energies than the atom–bond interaction within these complexes. From this point of view, it is indeed reasonable to consider the H2O2 system as a rigid rotor, frozen at its equilibrium configuration. We present in this work the torsional motion for the H2O2 isolated system, the vibration–rotation energy levels and spectroscopic constants for hydrogen peroxide–noble gas by using the aforementioned PES. The predicted H2O2 torsional motions are in good agreement with both theoretical and experimental results available in the literature. Regarding H2O2–Ng ro-vibrational energies and spectroscopic constants, it is the first time that these calculations are presented in the literature. The current theoretical predictions are expected to be useful in the future experimental investigations. 相似文献
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The electronic structure and energy of La2Ni10H12 and La2Ni10H11He (He is at tetrahedral, octahedral or twelve-face polyhedral interstitials) double cells have been calculated using the
density functional theory. Their equilibrium structure, energy bands, electronic density of states (DOS) and X-ray diffraction
are presented and discussed. The results indicate the helium-3 produced due to the decay of tritium is most possibly sited
at twelve-face polyhedral and octahedral interstices and changes the thermodynamic properties of LaNi5 tritide system. The changes due to aging such as the reduction in the isotherm plateau pressure, increase of the isotherm
plateau slope, and appearance of deeply trapped hydrogen are caused not only by the lattice expansion, but also by modification
of the electronic structure due to the presence of He. 相似文献
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采用螺旋波等离子体化学气相沉积技术以N2/SiH4/H2为反应气体制备了镶嵌有纳米非晶硅颗粒的氢化氮化硅薄膜,通过改变N2流量实现了薄膜从红到蓝绿的可调谐光致发光.傅里叶红外透射和紫外-可见光吸收特性分析表明,所生长薄膜具有较高的氢含量,N2流量增加使氢的键合结构发生变化,非晶硅颗粒尺寸减小,所对应的薄膜的光学带隙逐渐增加和微观结构有序度减小.可调光致发光(PL)主要来源于纳米硅颗粒的量子限制效应发光,随N2流量增加,PL的谱线展宽并逐渐增强.
关键词:
傅里叶红外透射谱
光吸收谱
纳米硅粒子镶嵌薄膜
光致发光 相似文献
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A time-dependent quantum mechanical method has been described to calculate the state-to-state inelastic scattering probabilities for three-dimensional atom—diatom inelastic scattering at the zero total angular momentum. The method utilizes the potentially optimized discrete variable representation (DVR) technique for operating a diatomic Hamiltonian on the wave function and avoids the necessity of repeating many Fourier transformations for this operation. The method has been applied to the He + H2(v,j)→ He + H2(v′,j′) inelastic scattering problem. 相似文献
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微生物电解池(MECs)是一种以微生物为电解制氢电池的阴极或阳极催化剂,将有机物间接转化为氢气的新型高效节能制氢技术. 此类可再生制氢技术的开发,仍面临如何提高制氢速率、降低能耗以及成本等方面的挑战. 本综述着重介绍MECs制氢的最新研究进展,首先扼要介绍了MECs技术制氢的工作原理和反应机理,总结并讨论了近几年电极材料、以及用于制氢的代表性电催化剂的研究进展,并且总结了不同有机物基底对MECs制氢性能的影响,最后提出了MECs制氢技术研究面临的几个关键挑战,展望提高MECs制氢性能的潜在方法. 相似文献
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研究了Er0.1Gd0.9VO4晶体材料的红外量子剪裁现象, 发现了较为有趣的基质敏化的红外量子剪裁现象. 即对于1537.5 nm的4I13/2→4I15/2红外荧光的激发谱存在一个宽而强的337.0 nm波长的激发谱峰,仔细分析可以认定337.0 nm的激发峰对应着基质GdVO4材料的吸收. 同时,发光谱的测量显示337.0 nm光激发Er0.1Gd0.9VO4材料的基质吸收带时导致的1537.5 nm4I13/2→4I15/2红外荧光的积分强度比其他所有荧光的积分强度的总和大了接近10倍, 它的红外量子剪裁效率仅次于最强的2H11/2能级受激的红外量子剪裁效率且比其他能级都强.
关键词:
红外的量子剪裁
太阳能电池
0.1Gd0.9VO4晶体材料')" href="#">Er0.1Gd0.9VO4晶体材料 相似文献