h-BN型超晶格等离子体光子晶体能带特性研究

六方氮化硼(h-BN)晶格结构是一种类六方对称复式超晶格结构。具有h-BN晶格构型的光子晶体以其宽光子带隙特点受到国内外学者的广泛关注。本文利用不同尺度低压气体放电管与Al₂O₃介质棒周期性排列，构建了新型h-BN型超晶格等离子体光子晶体，实现其空间结构和等离子体参数的动态调控。利用微波透射谱对比研究了h-BN型超晶格与简单三角晶格等离子体光子晶体禁带位置、宽度和数目。分析了放电电流、介质棒阵列数对不同频段光子带隙的影响，以及电磁波入射角度对电磁传输特性的影响。结果表明：等离子体的引入不仅能够形成新的光子带隙，而且可以选择性地使部分禁带位置发生移动；相对于简单三角晶格，h-BN型超晶格等离子体光子晶体呈现出更多光子带隙；Al₂O₃介质棒阵列数对等离子体光子晶体禁带位置、宽度和数目均具有重要影响。电磁波入射角度变化越大，电磁传输特性差别越显著，透射谱相关性越差。本文所设计的新型h-BN型超晶格等离子体光子晶体为制作可调谐光子晶体提供了新的思路，在微波和太赫兹波控制领域具有潜在应用价值。     

Color centers in irradiated MgF2

Abstract

Color centers in rutile-structured MgF₂ single crystals irradiated at 20K/360K by reactor neutrons are investigated spectroscopically at LNT. Four different types of the F-F vacancy bond in MgF₂ are possibly identified to the observed absorption bands as due to the F₂ centers; instead of previous assignments, the 300nm band to the F₂(D_2h), the 325nm band to the F₂(C₁), the 355nm band to the F₂(C_2v), and the 400nm band to the F₂(C_2h) centers.     

Photosensitivity,substituent and solvent-induced shifts in UV-visible absorption bands of naphthyl-ester liquid crystals: a comparative theoretical approach

The substituent- and solvent-induced shifts in UV-visible absorption bands of naphthyl-ester nematic liquid crystals, viz., 4-octylphenyl-6-octyloxy-2-naphthoate (NAPHE1) and 6-octyloxy-2-naphthylyl-4-octyloxybenzoate (NAPHE2), have been investigated using the DFT, CNDO/S and INDO/S methods. A correlation has been made between molecular charge distribution and phase stability based on Mulliken, Loewdin, AM1, PM3, MNDO, CNDO/S and INDO/S methods. The observed π→π* and n→π* electronic transitions have been reported. The substituent- and solvent-induced shifts in absorption bands, transition energies and energy gaps have been discussed. The photosensitivity of the molecules has been analysed based on these shifts. It has been observed that the substituent has a dominant role on both absorption maxima and energy band gap, whereas the solvent has a dominant role only on absorption maxima, and no effect has been observed on the energy gap. These shifts may provide beneficial consequences in determining the end use of compounds.     

管道超结构轴向带隙特性分析及实验研究

本文提出一种新型管道超结构元胞构型，其轴向振动带隙包括局域共振型和布拉格(Bragg)散射型两种带隙，该结构在2 500 Hz内共有两阶带隙，且第二阶带隙频率范围较宽。分别应用传递矩阵法和有限元法计算了该结构的能带结构分布及有限周期结构传输特性；搭建了包含4个元胞的管道超结构实验平台进行振动测试，并与计算结果进行对比验证；最后讨论了不同参数对其带隙分布的影响规律。结果表明，所研究管道超结构在2 500 Hz内共有两阶带隙，第一阶带隙主要为局域共振型带隙，凸台和振子的几何尺寸对其影响较大，元胞尺寸对其影响较小。第二阶带隙主要为布拉格散射型带隙，带隙宽度可达923 Hz,该带隙分布随元胞长度、凸台长度和振子厚度改变而改变。合理设计结构各部分几何尺寸，可满足工程中特定频段抑振的需求。     

Some exact solutions of generalized Zakharov system

In this paper, we seek exact solutions of generalized Zakharov system. We use extended trial equation method to obtain exact solutions of this system. Consequently, we obtain some exact solutions including soliton solutions, rational, Jacobi elliptic and hyperbolic function solutions of this system by using extended trial equation method.     

Novel titanate nanotubes-cyanocobalamin materials: Synthesis and enhanced photocatalytic properties for pollutants removal

New hybrid nanomaterials, with improved photocatalytic performance in pollutants removal, were obtained through the modification of titanate nanotubes (TNT) with a cobalt porphyrin, the cyanocobalamin, also knowing as vitamin B12 (B12). The nanocrystalline TNT were produced by hydrothermal treatment and after treated with cobalamin to produce B12-TNT materials. The characterization of the new hybrid material was performed by XRD, FTIR, TEM-EDS, DRS, XPS and ICP. The results show that the immobilization of the cobalt containing specie is dependent on the point of zero charge of the TNT and no modifications on the structure and morphology were observed. No significant changes in the optical band gap were observed after B12 incorporation, but an increasing in the visible light absorption, which arises from charge transfer and d–d transitions of the cobalt, was visualized. The samples photocatalytic performance was studied for the hydroxyl radical production and the highest catalytic ability was achieved by the B12-HTNT sample. The catalytic ability of these new hybrid nanomaterials for two model pollutants photodegradation, phenol and rhodamine B (RhB) was investigated. For both pollutants, the best results were achieved using B12-HTNT with a removal of 94% of a 10 ppm RhB and 87% of a 20 ppm phenol solution in 90 min of irradiation (150 mL, 0.2 g catalyst/L).     

Assessing the Calibration of High-Dimensional Ensemble Forecasts Using Rank Histograms

Any decision-making process that relies on a probabilistic forecast of future events necessarily requires a calibrated forecast. This article proposes new methods for empirically assessing forecast calibration in a multivariate setting where the probabilistic forecast is given by an ensemble of equally probable forecast scenarios. Multivariate properties are mapped to a single dimension through a prerank function and the calibration is subsequently assessed visually through a histogram of the ranks of the observation’s preranks. Average ranking assigns a prerank based on the average univariate rank while band depth ranking employs the concept of functional band depth where the centrality of the observation within the forecast ensemble is assessed. Several simulation examples and a case study of temperature forecast trajectories at Berlin Tegel Airport in Germany demonstrate that both multivariate ranking methods can successfully detect various sources of miscalibration and scale efficiently to high-dimensional settings. Supplemental material in form of computer code is available online.     

Carbon dioxide adsorption studies on delafossite CuFeO2 hydrothermally synthesized

Delafossite CuFeO₂ oxide was synthesized by a hydrothermal technique using Cu₂O and FeOOH as precursors with the addition of fused NaOH as mineralizer. The amount of rhombohedral and hexagonal delafossite phase formed depends on the synthesis time lapses between 2 and 5 days and on the NaOH concentration. The compounds obtained were analyzed with Raman Spectroscopy, X-Ray Diffraction (XRD), X-Ray Photoelectron Spectroscopy (XPS), Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS) in order to obtain their morphological and structural properties. Optical behavior was studied by UV–vis Spectroscopy and gas adsorption measured with a Quartz-Crystal Microbalance (QCM). Our results show that this type of hydrothermal synthesis is capable of recreating the delafossite-type structure of copper-iron oxide and produces a high yield of material with the right stoichiometry. The highest uptake of carbon dioxide is observed on the sample with the highest ratio between rhombohedral and hexagonal delafossite phase.     

Influence of Cu2+ dopant in optical property of CdTe quantum dots and photoelectrochemical performance of CdTe:Cu2+/TiO2 nanotube arrays

A novel one-step synthesis process was used to prepare CdTe:Cu²⁺/TiO₂ nanotube arrays (TNTAs). X-ray powder diffraction and high-resolution transmission electron microscopy analyses confirmed that the obtained CdTe:Cu²⁺ quantum dots (QDs) possess cubic structures, which are approximately spherical, and a small particle size (2.95 nm). The photoluminescent and UV–visible absorption spectra of CdTe:Cu²⁺ QDs also display an obvious redshift, which was attributed to the replacement of Cd²⁺ with Cu²⁺. Compared with that of the TNTAs and CdTe/TNTAs, the photoelectric conversion efficiency of CdTe:5% Cu²⁺/TNTAs increased by 785.7% and 103.3%, respectively. The incident photo-to-current conversion efficiency of CdTe:5% Cu²⁺/TNTAs was 50.6%, which indicated the potential use of QDs in photochemical solar cells.