Bond characteristics,vibrational spectrum and optimized microwave dielectric properties of chemically substituted NdNbO4

Coordination chemistry, bond state and vibrational spectrum of co-substituted microwave dielectric NdNb_1-x(Zr_0.5W_0.5)_xO₄ ceramics (x = 0.01∼0.05) were investigated. Raman spectra and XRD refinement showed a solid solution was formed. The compressed and elongated chemical bonds are responsible for the variations of crystal parameters and cell volume. Calculated chemical bond parameters indicated bond covalency, lattice energy and Nb-site bond energy act on the fluctuations of the permittivity, quality factor and temperature coefficient, respectively. Meanwhile, the infrared vibrational spectrum is fitted to quantify the contributions of observed IR mode to the intrinsic loss. Compact ceramic possesses excellent properties: ε_r ∼ 19.2, Q × f ∼ 55282 GHz and τ_f ∼ -11.36 ppm/°C with x = 0.04, at 1250°C.     

聚硅烷的电子特性及非线性光学材料

综述了聚硅烷的电子结构、光吸收特性。重点介绍了聚硅烷在非线性光学材料中的研究与应用。     

AOTF红外光谱测量系统及其设计分析

介绍了一种以声光可调谐滤光器(AOTF)为色散元件的新型红外光谱测量系统。系统采用计算机控制下的直接数字频率合成(DDS)技术，实现电调谐波长扫描。采用双光束相关检测技术，改善了系统的信噪比。文中对红外光谱测量系统的有关设计问题进行了论述。     

古陶片年龄与烧结温度测定中的计算机模拟

介绍用已知年龄和烧结温度的古陶片穆斯堡尔超精细参数与年龄和烧结温度的实验关系曲线作基础，应用计算机模拟程序，自动求出未知陶片的年龄和最高烧结温度的方法。     

Cif2000平台下的核磁共振测井解谱方法研究

介绍了在Cif2000多井解释平台下的核磁共振解谱方法与编程实现。解谱采用加入平滑因子后在特征矩阵的奇异值分解中截去小的非零奇异值的方法，可以在低信噪比时得到稳定的弛豫谱，在油田实际应用中证明了该方法的有效性。根据该方法在Cif2000平台上编制了完整的解谱处理程序，可以直接用于油田的生产实际。     

Synthesis, Characterization, and Formation Process of Na-X Zeolite from Coal Fly Ash

Using the SiO₂ and Al₂O₃ components of the amorphous phase in coal fly ash (Fa), Fa was converted to Na-X zeolites in NaOH-NaAlO₂ solutions by stirring at 35°C for 72 hr and then aging at 85°C for a given period. The molar ratio SiO₂/Al₂O₃ of the starting materials was controlled from 2.0 to 13.2. The resulting materials were characterized by various means. Increasing the SiO₂/Al₂O₃ ratio of the starting material increased the degree of crystallinity of faujasite, exhibiting a maximum at SiO₂/Al₂O₃ = 8.0. The faujasite formed was identified as Na-X zeolite with Si/Al = 1.20. The amorphous phase in Fa was dissolved during the stirring to form a precursor of zeolite, such as amorphous aluminosilicate. The Na-X zeolite was formed by aging for 24 hr, and the degree of crystallinity of this material was increased with the increasing aging period. The cation exchange capacity and specific surface area were increased with the increasing degree of crystallinity of the Na-X zeolites.     

Comparison of activities in selective catalytic reduction of NOx by C3H8 over Co/MFI, Fe/MFI, and H/MFI zeolite catalysts

The Co/MFI(SiO₂/Al₂O₃ = 30) were prepared by a precipitation method with NaOCl in alkali solutions exhibited high activities to N₂ at 250 °C for the selective catalytic reduction (SCR) of NO_x. These catalysts showed two UV–vis bands at 700 and 400 nm, indicating the presence of octahedral Co(III) as well as tetrahedral Co(II). The high SCR activity over such Co(III, II)/MFI(30) seems to come from Co(III)---O moieties. The Co(II)MFI(30) catalysts prepared from Co(II)Cl₂ exhibited low SCR activities due to the presence of tetrahedral Co(II) ions in MFI. Less CO formation occurred over Co/MFI catalysts. The Fe/MFI(30) catalyst exhibited high activity due to the presence of some Fe---O species in MFI but more amount of CO were produced during SCR. H/MFI(30) catalyst exhibited a good SCR activity. However, more amount of carbonaceous deposits were produced on it. The correlation between acid concentration and SCR activity was discussed over H/MFIs.     

Synthesis and characterisation of carboxylic acid and diphenylphosphine derivatives in the 1,3-diyne series: Spectral properties of polydiacetylene carboxylates

Symmetrically substituted 1,3-diynes containing hydroxyalkyl ( 1a-d ), bromoalkyl ( 1e-h ) (diphenylphosphinyl) ( 1i-k ) and carboxyalkyl ( 2a-d ) substituents have been prepared and characterised; the phosphine derivative ( 1k ) has been converted with alkyl iodides ( RI ; R = Me, Et) into bis(phosphonium) salts ( 1l and m ). During preparation of the diynedioic acid. ( 2a ), the non-centrosymmetrical diyne, HO₂CCH₂C?C—C?C(CH₂)₂OH ( 3 ), was also isolated. ⁶⁰Co γ-Irradiation of diacetylene monomers ( 2a – d ) and 10,12-tricosadiyn-1-oic acid gave the corresponding polydiacetylene derivatives ( 4a – d and 5 ), respectively. Rubidium salts of ( 4c ) and ( 4d ), a barium salt of ( 4c ), and a potassium salt of ( 5 ) were prepared and isolated; soluble potassium salts of the carboxylic acid polymers ( 4 ) were generated in aqueous solution. The effects of changes in pH on the UV/visible absorption spectra of aqueous solutions of selected carboxylic acid polydiacetylenes have been recorded, and are discussed.     

Mössbauer spectroscopic studies of Fe-substituted YIG

Compositional dependence of hyperfine parameters, determined through Mössbauer spectral analysis has been studied for Y_3−xFe_5+xO₁₂ (x = 0.0, 0.1, 0.3 and 0.5) garnet system at 300 K. The Mössbauer spectra have been fitted with three sextets in the ferrimagnetic state corresponding to Fe³⁺ ions at tetrahedral (d), octahedral (a) and dodecahedral (c) sites of the crystal structure. It is observed that isormershift, quadrupole shift and hyperfine field of d-site show no significant variation with Fe³⁺ concentration. The change in hyperfine fields of a- and c-sites with composition (x) has been explained on the basis of strength of exchange integrals, change in isomershift can be understood due to s-electron charge distribution and asymmetric displacement of oxygen ions surrounding the a- and c-sites seems to be responsible for observable quadrupole shift. The magneton number values obtained from magnetization and Mossbauer data are in agreement to those calculated using Neel's three sublattice model of ferrimagnetism.     

Extracting Electron Densities in N-Type GaAs From Raman Spectra: Theory

In this paper, we present the theory for calculating Raman line shapes as functions of the Fermi energy and finite temperatures in zinc blende, n-type GaAs for donor densities between 10¹⁶ cm⁻³ and 10¹⁹ cm⁻³. Compared to other theories, this theory is unique in two respects: 1) the many-body effects are treated self-consistently and 2) the theory is valid at room temperature for arbitrary values of the ratio R = (Q²/α), where Q is the magnitude of the normalized wave vector and α is the normalized frequency used in the Raman measurements. These calculations solve the charge neutrality equation self-consistently for a two-band model of GaAs at 300 K that includes the effects of high carrier concentrations and dopant densities on the perturbed densities of states used to calculate the Fermi energy as a function of temperature. The results are then applied to obtain the carrier concentrations from Fermi energies in the context of line shapes in Raman spectra due to the coupling between longitudinal optical phonons and plasmons. Raman measurements have been proposed as a non-destructive method for wafer acceptance tests of carrier density in semiconductor epilayers. The interpretation of Raman spectra to determine the majority electron density in n-type semiconductors requires an interdisciplinary effort involving experiments, theory, and computer-based simulations and visualizations of the theoretical calculations.