Synthesis,Crystal Structure,Luminescence, and Thermophysical Properties of TbGaGe2O7

Physics of the Solid State - Germanate TbGaGe2O7 has been obtained from the initial Tb2O3, Ga2O3, and GeO2 oxides by the solid-phase synthesis. The germanate structure has been established by X-ray...     

在硅酸盐矿物,玻璃和熔体中Si和Al的配位与局部结构：K—边 …

本文采用步辐射的ＳｉＫ－边Ｘ－射线吸收近边结构（ＸＡＮＥＳ）谱研究了Ｓｉ在ＳｉＯ２－Ｐ２Ｏ５和Ｎａ２Ｏ－ＳｉＯ２－Ｐ２Ｏ５的低压磷硅酸盐玻璃中结构与配位,以及Ｓｉ的配位几何随玻璃中Ｐ２Ｏ５含量而变化：同步辐射的Ａｌ Ｋ－边ＸＡＮＥＳ谱研究了Ａｌ在铝硅酸盐成分为ＮａＡｌＳｉ２Ｏ６－ＮａＡｌＳｉ３Ｏ８的玻璃和熔体中的配位和局部结构,并提供了直接的实验证据该成分的玻璃体系中由于压力的变化所诱导Ａｌ配位的     

用相图原理研究玻璃结构和性质(Ⅲ) 核磁共振谱研究钠硼钒、钾硼磷、钾硼铝和钠硼镁玻璃结构

本文运用相图模型方法,通过电子计算机计算了Na_2O-B_2O_3-V_2O_5,K_2O-B_2O_3-P_2O_5,K_2O-B_2O_3-Al_2O_3和Na_2O-B_2O_3-MgO三元系统玻璃的NMR数据,比较了实验值和计算得出的硼四配位分数(N4),得到了满意的结果。     

H_2O/C复合微粒子群的光学截面及红外发射率光谱的计算

本文利用 A.L.Aden和 M.Kerker微粒子 Mie散射理论 ,计算了 H2 O/C复合微粒子群的光学截面 ,对混合后的 H2 O/C粒子群的发射率光谱进行了计算     

Calculation and Comparison of Electronic,Vibrational, Polarization,and Magnetic Properties of Double Perovskites CaMnTi 2 O 6 and CaFeTi 2 O 6

Vibrational, polarization, magnetic, and electronic properties of double perovskites CaMnTi2O6 and CaFeTi2O6 with a rare type of “column” ordering of divalent metal cations have been calculated based on the density functional theory. Analysis of the crystal lattice dynamics for paraelectric phase P42/nmc of both compounds has revealed that ferroelectric instability exists only in CaMnTi2O6. It is found that the structure distortion of the paraphrase of CaMnTi2O6 in the eigenvector of the unstable polar mode leads to a structure with the P42/nmc space group. The calculated spontaneous polarization for the ferroelectric phase of CaMnTi2O6 is Ps = 25 μC/cm2. The spin-polarization calculations have shown that the ground state is ferromagnetic in the CaFeTi2O6 crystal and antiferromagnetic in the CaMnTi2O6 crystal. The exchange interaction constants have been calculated using the Heisenberg model and the mean field approximation; the phase transition temperature for each compound has been estimated.     

Structure and Thermodynamic Properties of the SmGaGe2O7 Oxide

Physics of the Solid State - The SmGaGe2O7 oxide material has been obtained from initial Sm2O3, Ga2O3, and GeO2 oxides by solid-phase synthesis with annealing in air in the temperature range of...     

Heat Capacity and Thermodynamic Functions of GdGaTi2O7 in the Temperature Range of 320–1000 K

Physics of the Solid State - Titanate GdGaTi2O7 has been obtained from the initial oxides Gd2O3, Ga2O3, and TiO2 by the solid-state synthesis via annealing in air at temperatures of 1273 and 1573...     

Structure-dependent activities of Cu2O cubes in thermal decomposition of ammonium perchlorate

Catalytic activity of three kinds of Cu₂O cubes with different structures for thermal decomposition of ammonium perchlorate (AP) has been investigated in this paper. Cu₂O crystals in the form of cubic aggregate, mono-dispersed cube and {100} planes etched cube have been synthesized through a microwave-assisted solvothermal method by adjusting the composition of solvent. The decomposition of AP in the presence or absence of Cu₂O cubes has been investigated non-isothermally through thermogravimetry and differential scanning calorimetry (DSC). The data obtained from DSC have been applied for the calculation and comparison of the kinetic parameters of AP decomposition process through a model-free approach. The obtained kinetic parameters have been used to predict the reaction rate and progress of AP with Cu₂O cubes under isothermal conditions or at temperature mode corresponding to real climate changes.     

Structural and Magnetic Properties of the Al2O3/Ge-p/Al2O3/Co System

Technical Physics - The Al2O3/Ge-p/Al2O3/Co system with an Al2O3 buffer layer deposited by ion-plasma sputtering has been experimentally investigated. The dependences of the magnetic properties of...     

InvFevLiNbO_3晶体的全息存储性能研究

在 Ｌｉ Ｎｂ Ｏ３ 中掺进 Ｉｎ２ Ｏ３ 和 Ｆｅ２ Ｏ３ 用恰克拉斯基（ Ｃｚｏｃｈｒａｌｓｋｉ）法生长 Ｉｎｖ Ｆｅｖ Ｌｉ Ｎｂ Ｏ３ 晶体。测试表明， Ｉｎｖ Ｆｅｖ Ｌｉ Ｎｂ Ｏ３ 晶体抗光致散射能力高， 响应速度快， 存储保存时间长。研究了 Ｉｎｖ Ｆｅｖ Ｌｉ Ｎｂ Ｏ３ 晶体全息存储性能的机理， 测得的衍射效率最大值为 ７３％ 。     

Fluid simulation of inductively coupled Ar/O_2 plasmas:Comparisons with experiment

In this work, a two-dimensional fluid model has been employed to study the characteristics of Ar/O2 radio frequency(RF) inductively coupled plasma discharges. The emphasis of this work has been put on the influence of the external parameters(i.e., the RF power, the pressure, and the Ar/O2 gas ratio) on the plasma properties. The numerical results show that the RF power has a significant influence on the amplitude of the plasma density rather than on the spatial distribution.However, the pressure and the Ar/O2 gas ratio affect not only the amplitude of the plasma density, but also the spatial uniformity. Finally, the comparison between the simulation results and the experimental data has been made at different gas pressures and oxygen contents, and a good agreement has been achieved.     

利用原位红外光谱研究若干过渡金属氧化物-丙酸体系，Fe2Cr（μ3-O）（μ-O2CC2H5）6（H2O）3Cl*xH2O及Cr3（μ3-O）（μ-O2CC2H5）6（H2O）3NO3*xH2O的反应行为

利用原位红外光谱法研究标题化合作在N2 中的反应行为。发现它们在不同温度下能使丙酸分别转化为乙醛和戊酮。金属氧化物对丙酸的戊酮化反应活性顺序是 :Fe3O4 >MnO2 >Cr2 O3>Co2 O3>Ni2 O3,这顺序与下列簇合物对该反应的活性顺序类似 :[Fe2 MnOPH]>[Fe3OPH]>[Fe2 CrOPH]>[Fe2 CoOPH]>[Fe2 NiOPH]>[Cr3OPH][OPH =(μ3 O) (μ O2 CC2 H5) 6(H2 O) 3]。对于戊酮化反应 ,过渡金属氧化物的反应温度明显高于相应的 [Fe2 MOPH]的反应温度 ,这旁证了 [Fe2 MOPH]的活性组分不是其金属氧化物。还讨论了Fe3O4 ,Fe2 O3 对丙酸分别转化为乙醛和戊酮反应活性的明显差异。     

Synthesis and spectroscopic studies of iron (III) complex with a quinolone family member (pipemidic acid)

The interaction of iron (III) with pipemidic acid, Hpipem, afforded the complex [Fe (pipem) (HO)₂ (H₂O)]₂. The new complex has been characterised by elemental analyses, infra-red, EPR and XPS spectroscopies. The monoanion, pipem, exhibits O, O ligation through the carbonyl and carboxylato oxygen atoms. Six coordinate dimer distorted octahedral configuration has been proposed for [Fe (pipem) (HO)₂ (H₂O)]₂.     

Synthesis of a new potassium titanate,KTiO2(OH) by hydrothermal oxidation of Ti

Abstract

A new titanium hydroxide KTi₂O(OH) has been synthesized by hydrothermal oxidation of titanium powder in concentrated potassium hydroxide solution. A formation diagram of products synthesized in Ti-KOH-H₂O system at the region of KOH concentration from 0 to 90mol.kg-^?1-H₂O and the temperature from 150 to 350°C has been also constructed.     

Uncovering the complex behavior of hydrogen in Cu2O

The behavior of hydrogen in p-type Cu(2)O has been reported to be quite unusual. Muon experiments have been unable to ascertain the preferential hydrogen site within the Cu(2)O lattice, and indicate that hydrogen causes an electrically active level near the middle of the band gap, whose nature, whether accepting or donating, is not known. In this Letter, we use screened hybrid-density-functional theory to study the nature of hydrogen in Cu(2)O, and identify for the first time the "quasiatomic" site adopted by hydrogen in Cu(2)O. We show that hydrogen will always act as a hole killer in p-type Cu(2)O, and is one likely cause of the low performance of Cu(2)O solar cell devices.     

水和重水的拉曼光谱研究

本文对水和重水进行了近红外ＦＴ－Ｒａｍａｎ光谱测试。探讨了随着激发功率的增加，水和重水内部分子结构变化的规律，并运用去卷积技术对所得到的光谱进行了分峰处理，看出水分子的氢键有断裂趋势，并给出了一些定性解释，为今后进一步开展水溶液体系的近红外ＦＴ－Ｒａｍａｎ光谱的研究工作打下了一定基础。     

Off-resonance binomial preparatory pulse technique for high sensitivity MRI of H2O17

H2O17 is a freely diffusible tracer and naturally occurring isotope of O16 detectable by MRI and has been shown to be useful for assessing cerebral perfusion in animal studies using direct and indirect MR detection techniques. However, earlier MR techniques are either not sensitive to changes in small concentrations of tissue H2O17 or are not practical for use on clinical scanners. In this work, a novel method for detecting H2O17 with high sensitivity has been proposed that uses a short, intense, binomial preparatory spin lock pulse with resonance offsets for high sensitive rapid, multislice imaging of tissue H2O17. Two sets of phantom experiments were performed on the 1.5 T and repeated on 3.0 T to assess the feasibility of the proposed technique. The phantom was constructed using ovalbumin and doped with 0.4 atom% and 1.0 atom% H2O17. After obtaining initial parameters, the proposed technique was validated in an anesthetized primate model that was injected with 1.8 cc of 40 atom% H2O17. Phantom experiments showed that the proposed technique was able to detect H2O17 with relatively high sensitivity and high B1 amplitude (and small offsets) preparatory pulses produced similar results as low B1 amplitude (and larger offsets). Primate brain study showed a 42.97% difference in mean signal intensity between pre- and post-H2O17 injection. The proposed technique was successfully implemented on a clinical scanner and was able to detect H2O17 with relatively high sensitivity. Primate study has shown that such a technique can be successfully used for human imaging applications to investigate and assess cerebral perfusion.     

General model for water monomer adsorption on close-packed transition and noble metal surfaces

Ab initio density functional theory has been used to investigate the adsorption of H2O on several close-packed transition and noble metal surfaces. A remarkably common binding mechanism has been identified. On every surface H2O binds preferentially at an atop adsorption site with the molecular dipole plane nearly parallel to the surface. This binding mode favors interaction of the H2O 1b(1) delocalized molecular orbital with surface wave functions.     

HRTEM and EELS study of Y2O3/MgO thin films

Y2O3 thin films deposited on (001)-MgO substrate have been investigated by high-resolution transmission electron microscopy (HRTEM) and electron energy loss spectroscopy. Digital processing of the HRTEM images reveals the presence of grains with a crystallographic structure different from that of the rest of the film (Ia3). The spectrum imaging technique has been applied in vicinity of the Y2O3/MgO interface to get a better knowledge of the phases nucleated on the substrate surface. Fine structures of the O K-edge have been studied in detail; actually two kinds of spectra have been detected in the yttrium oxide thin film. These spectra have been compared to self-consistent full multiple scattering calculations (SC-FMS). One family of spectra has then been associated to the well-known Ia3 structure. The other family of spectra has been compared to calculations performed for the other known structures (such as hexagonal or monoclinic) of Y2O3 with a little success. We have finally compared these spectra to calculations performed with a particular atomic arrangement (octahedral) of Y and O atoms, which leads to a good match between experimental and calculated spectra. Our results emphasize the benefit of coupling several techniques such as HRTEM, EELS and SC-FMS for the determination of structures at the nanometric scale.     

Site occupancy and magnetic properties of pyrochlore-structured AgOs(2)O(6)

AgOs(2)O(6) prepared from ion-exchanged superconducting β-pyrochlore KOs(2)O(6) has been shown to be non-superconducting. Synchrotron x-ray structure refinement suggests that AgOs(2)O(6) has the Ag ion mostly occupying the low-symmetry 32e site in the [Formula: see text] space group of proper occupancy, which is different from the original major occupancy at the high-symmetry 8b site for KOs(2)O(6), and similar to non-superconducting Na(1.4)Os(2)O(6)?H(2)O. Magnetic susceptibility measurements found no magnetic ordering down to ～1.7?K. The trace amount of isolated spins suggests that the Ag could be neutral and lead to a pure Os(6+) valence state of zero spin in the newly prepared AgOs(2)O(6).