Study on the photocatalytic activity of K2La2Ti3O10 doped with zinc(Zn)

The layered perovskite type oxides, K₂La₂Ti₃O₁₀ and zinc(Zn)-doped K₂La₂Ti₃O₁₀ were prepared by sol-gel method and were characterized by power X-ray diffraction, UV-vis diffuse reflectance and X-ray photoelectron spectroscopy. The photocatalytic activity for water splitting of the catalyst powders was investigated with I⁻ as electron donor under ultraviolet and visible light irradiation respectively. The electronic structure of the powders has been analyzed by the first principles calculation, which reveals the photo responses in the visible region and the improvement of the photocatalytic activity of K₂La₂Ti₃O₁₀. Conclusions were made that zinc(Zn)-doped K₂La₂Ti₃O₁₀ exhibited higher reactivity for hydrogen production. When I⁻ was used as electron donor, the optimum doping concentration of zinc(Zn) was found to be 0.015:1 (n_Zn:n_Ti). The average hydrogen production rates were 126.6 μmol/(gcat h) under ultraviolet irradiation and 55.5 μmol/(gcat h) under visible light irradiation which were raised by 131% and 251% compared with undoped K₂La₂Ti₃O₁₀ photocatalyst, respectively.     

Magnetic and magneto-transport properties of double perovskite Ba2−xSrxFeMoO6 system

The structural magnetic and magneto-transport properties of double perovskite system Ba_2−xSr_xFeMoO₆ (0?x?1.0) prepared in bulk polycrystalline form are reported in this paper. X-ray diffraction analysis showed that samples are single phase and the lattice constants decreases with increase in the Sr content. The degree of Fe-Mo ordering has been found decreasing in the series with an increase in the Sr content. Parent compound Ba₂FeMoO₆ exhibits saturation magnetic moment value of 3.54 μ_B/f.u. at 85 K in a magnetic field of 6000 Oe. Temperature dependence of resistivity shows metallic behavior for all the samples. The magneto-resistance (MR) of the compound with x=0.4 is higher than that of the other samples. At room temperature this system shows a saturation magnetization value of 1.73 μ_B/f.u. and MR value of 7.08% (1 T). The observed variations in the structural and magnetic properties are attributed to the change of chemical pressure due to the substitution of Sr in place of Ba. The effect of antisite disorder (ASD) defects on magneto-transport properties is studied in more detail.     

Reproducibility of myelin water fraction analysis: a comparison of region of interest and voxel-based analysis methods

This study compared region of interest (ROI) and voxel-based analysis (VBA) methods to determine the optimal method of myelin water fraction (MWF) analysis. Twenty healthy controls were scanned twice using a multi-echo T₂ relaxation sequence and ROIs were drawn in white and grey matter. MWF was defined as the fractional signal from 15 to 40 ms in the T₂ distribution. For ROI analysis, the mean intensity of voxels within an ROI was fit using non-negative least squares. For VBA, MWF was obtained for each voxel and the mean and median values within an ROI were calculated. There was a slightly higher correlation between Scan 1 and 2 for the VBA method (R²=0.98) relative to the ROI method (R²=0.95), and the VBA mean square difference between scans was 300% lower, indicating VBA was the most consistent between scans. For the VBA method, mean MWF was found to be more reproducible than median MWF. As the VBA method is more reproducible and gives more options for visualization and analysis of MWF, it is recommended over the ROI method of MWF analysis.     

Luminescence of heavily Ce-doped alkaline-earth fluorides

The spectral and kinetic parameters of M_1−xCe_xF_2+x (x=0.35, M=Ca, Sr, Ba) crystals luminescence have been studied. These characteristics are compared to the luminescence of solution base hosts: MF₂:Ce and CeF₃. The emission bands of heavily Ce-doped alkali earth fluorides are closed to the spectrum of perturbed Ce-center in CeF₃ at T=9 K. Luminescence of M_0.65Ce_0.35F_2.35 crystals reveals the efficient excitation in the UV and VUV ranges. The main feature of the emission and excitation spectra of Ce³⁺ luminescence is the displacement to the low-energy range according to the bandgap decrease in the Ca-, Sr- and Ba-based fluorides, respectively. Small Stokes shift leads to the reabsorption and light yield decrease. Luminescence peculiarities of M_1−xCe_xF_2+x solid solution and the role of Ce-enriched inclusions are discussed.     

The Initial Reactions of H3PO4 and NaH2PO4Supported on Silica: A Joint Experimental and Theoretical Study

利用XRD、TG、DRIFTS、31P MAS NMR和密度泛函理论研究了浸渍法制备的硅胶负载型磷酸和磷酸二氢钠催化剂,阐明了催化剂制备过程中生成的初始缩合产物和其反应机理. 光谱试验结果显示,在二氧化硅负载的磷酸上,除了聚磷酸外,还有硅磷酸盐的存在;在二氧化硅负载的磷酸二氢钠上,仅发现聚磷酸钠存在. 密度泛函模拟结果也证明,磷酸与二氧化硅表面硅羟基之间的反应在缩合反应的初始阶段比其自身的二聚反应更为有利. 但是在硅胶负载的磷酸二氢钠上,磷酸二氢钠的二聚和三聚是缩合反应初始阶段的主要反应.     

C2H2 Overtones Near 12300 cm-1 Revisited with a Very Sensitive Cavity Ring-down Spectrometer

利用单模连续的钛宝石激光器, 构建了一台光腔衰荡光谱仪, 其可探测的最小吸收可达1.8×10^-10/cm. 该光谱仪被用来记录C₂H₂分子在12240～12350 cm^-1的泛频光谱. 与在同一波段测量的已报到的CRDS和激光腔内吸收光谱仪结果比较,本测量同时具有更好的灵敏度和精度. 由此,获得了乙炔分子在12290.12、12311.82和12350.61 cm^-1附近高泛频谱带更准确的振转参数     

SIM(2)-invariant modifications of electrodynamic theory

In the Cohen–Glashow Very Special Relativity we exhibit possible modifications to the Maxwell theory and to the quantum electrodynamics Lagrangian in some generality, and discuss characteristic features depending on the modifications. Modified gauge transformations in SIM(2)-invariant theories are introduced and the related gauge fields, with two polarization states, can have nonzero mass. Also considered are SIM(2)-covariant modifications to the Proca-type field equations for a massive spin-1 particle.     

Efficient Integrated Graphene Photonics in the Visible and Near‐IR

Graphene photonics has emerged as a promising platform for providing desirable optical functionality. However, graphene's monolayer‐scale thickness fundamentally restricts the available light matter interaction, posing a critical design challenge for integrated devices, particularly in wavelength regimes where graphene plasmonics is untenable. While several plasmonic designs have been proposed to enhance graphene light interaction in these regimes, they suffer from substantial insertion loss due to metal absorption. Here we report a non‐resonant metamaterial‐based waveguide platform to overcome the design bottleneck associated with graphene device. Such metamaterial structure enables low insertion loss even though metal is being utilized. By examining waveguide dispersion characteristics via closed‐form analysis, it is demonstrated that the metamaterial approach can provide optimized optical field that overlaps with the graphene monolayer. This enables graphene‐based integrated components with superior optical performance. Specifically, the metamaterial‐assisted graphene modulator can provide 5‐fold improvement in extinction ratio compared to Si nanowire, while reducing insertion loss by one order magnitude compared to plasmonic structures. Such a waveguide configuration thus allows one to maximize the optical potential that graphene holds in the telecom and visible regimes.     

Mn-N共掺杂TiO_2电子结构和光学性质的第一性原理计算

本文采用第一性原理研究了Mn、N掺杂TiO_2和Mn-N共掺杂TiO_2的能带结构、态密度和Mn-N共掺TiO_2对体系介电函数与吸收谱的影响.研究结果表明,Mn掺杂TiO_2的能带结构的禁带内出现的杂质能级是由Mn的3d轨道贡献;N掺杂TiO_2在费米能级处的杂质能级则由O 2p,Ti 3d和N 2p轨道杂化形成;Mn-N共掺的TiO_2能带在费米能级处的杂质能级则由O 2p,Ti和Mn的3d以及N 2p轨道杂化形成;对于介电函数,在低能区间(2.5 e V),理想TiO_2无介电峰,Mn-N共掺体系则出现了两个介电峰,原因在于Mn 3d态和N 2p态使介电峰值向低能区移动;同时,与理想TiO_2的吸收谱相比,最大的变化是在可见光区出现了一个吸收峰,且在可见光区的响应的范围变宽.     

Ca(BH4)2络合物电子结构及热力学稳定性的第一性原理研究

利用第一性原理研究了低温及高温相Ca(BH4)2络合物的电子结构、晶格振动及其反应焓。计算结果表明：低温及高温相Ca(BH4)2中Ca+2与[BH4]－以离子键形式相结合,[BH4]－离子中B原子和H原子以共价键形式相结合,对该共价键有贡献的主要是B原子的2p轨道电子,H原子的1s轨道电子。Ca(BH4)2可能的反应路径为：Ca(BH4)2→2CaH2+CaB6+10H2,该反应在300K下反应焓为43.22 kJ/mol H2。拉伸B—H键所对应的声子频率较高,其值为2360～2500cm-1,这可能是导致B—H键断裂释放氢气需要较高温度的主要原因之一。