单层MXene纳米片Ti2N电磁特性的过渡金属(Sc、V、Zr)掺杂效应

二维材料MXene纳米片由于具有较大的比表面积和较高的电子迁移率而受到广泛的关注。本文采用基于密度泛函理论的第一性原理计算,对单层MXene纳米片Ti₂N电磁特性的过渡金属(Sc、V、Zr)掺杂效应进行了系统研究。结果表明,所有过渡金属掺杂体系结合能均为负值,结构均稳定;其中Ti₂N-Sc体系的形成能为-2.242 eV,结构更易形成,且保持稳定;掺杂后Ti₂N-Sc、Ti₂N-Zr体系磁矩增大;此外,Ti₂N-Sc体系中保留了较高的自旋极化率,达到84.9%,可预测该体系在自旋电子学中具有潜在的应用价值。     

水热法制备二氧化锡/钨酸铋复合光催化材料及其催化活性研究

本文用水热法制备了正交晶系的纳米球状结构的二氧化锡和正交晶系的由片状聚集成球状结构的钨酸铋,并且对二者进行了复合,制备出了二氧化锡/钨酸铋复合光催化材料。采用X射线衍射(XRD)、扫描电子显微镜(SEM)、比表面积测试仪(BET)、紫外可见分光光度计等技术对复合样品的结构、形貌、比表面积、孔容孔径和光学性质进行了表征。用碘钨灯模拟太阳光,分别以二氧化锡、钨酸铋和二氧化锡/钨酸铋复合材料为催化剂降解罗丹明B(RhB),研究所制备的二氧化锡/钨酸铋复合材料的光催化活性。光催化90 min时二氧化锡、钨酸铋和二氧化锡/钨酸铋对罗丹明B的降解率分别是9%、22%和30%。实验结果表明,在可见光下,二氧化锡/钨酸铋复合材料的光催化活性要高于单一的二氧化锡和钨酸铋。     

Oscillation and non‐oscillation results for solutions of perturbed half‐linear equations

The purpose of this paper is to describe the oscillatory properties of second‐order Euler‐type half‐linear differential equations with perturbations in both terms. All but one perturbations in each term are considered to be given by finite sums of periodic continuous functions, while coefficients in the last perturbations are considered to be general continuous functions. Since the periodic behavior of the coefficients enables us to solve the oscillation and non‐oscillation of the considered equations, including the so‐called critical case, we determine the oscillatory properties of the equations with the last general perturbations. As the main result, we prove that the studied equations are conditionally oscillatory in the considered very general setting. The novelty of our results is illustrated by many examples, and we give concrete new corollaries as well. Note that the obtained results are new even in the case of linear equations.     

Rate and Computational Studies for Pd-NHC-Catalyzed Amination with Primary Alkylamines and Secondary Anilines: Rationalizing Selectivity for Monoarylation versus Diarylation with NHC Ligands

The relative rates of arylation of primary alkylamines with different Pd-NHC catalysts have been measured, as have the relative rates of arylation of the secondary aniline product in an attempt to understand the key ligand design features necessary to have high selectivity for the monoarylated amine product. As the substituents on the N-aryl ring of the NHC increase in size, selectivity for monoarylation increases and this is further enhanced by chlorinating the back of the NHC ring. Computations have been performed on the catalytic cycle of this transformation in order to understand the selectivity obtained with the different catalysts.     

Quantitative estimations of bivariate summation‐integral–type operators

In this paper, we study the approximation properties of bivariate summation‐integral–type operators with two parameters . The present work deals within the polynomial weight space. The rate of convergence is obtained while the function belonging to the set of all continuous and bounded function defined on ([0],∞)(×[0],∞) and function belonging to the polynomial weight space with two parameters, also convergence properties, are studied. To know the asymptotic behavior of the proposed bivariate operators, we prove the Voronovskaya type theorem and show the graphical representation for the convergence of the bivariate operators, which is illustrated by graphics using Mathematica. Also with the help of Mathematica, we discuss the comparison by means of the convergence of the proposed bivariate summation‐integral–type operators and Szász‐Mirakjan‐Kantorovich operators for function of two variables with two parameters to the function. In the same direction, we compute the absolute numerical error for the bivariate operators by using Mathematica and is illustrated by tables and also the comparison takes place of the proposed bivariate operators with the bivariate Szász‐Mirakjan operators in the sense of absolute error, which is represented by table. At last, we study the simultaneous approximation for the first‐order partial derivative of the function.     

Novel low-dielectric constant and soluble polyimides from diamines containing fluorene and pyridine unit

Polyimides (PI's) with low-dielectric constant and excellent organic solubility have broad application prospects in the electronic field. Herein, this study designed a series of novel, low dielectric, organic soluble PI films by creatively introducing fluorene and pyridine ring into diamine monomers. Because of the noncoplanar structure of fluorenyl and the polarization of pyridine ring, PI films achieved a low-dielectric constant (2.22–3.09 at 10 MHz) and excellent organic solubility. Even in some organic solvents with low-boiling points, these PI films still exhibited outstanding solubility. In addition, all the films possessed high-tensile strength (≈120 MPa) and excellent optical transparency (>70%, 450 nm). It was worth noting that the glass transition temperature of films was all above 280°C and 5% weight loss temperature (T_5%) was at 486–553°C. In general, the novel high-performance low-dielectric PI films are expected to be used in the field of microelectronics.     

Rate sensitivity and deformation mechanism of semi-crystalline polymers during instrumented indentation

Instrumented indentation tests using both constant loading rate (CLR) and continuous stiffness measurement (CSM) operation modes were performed to investigate the deformation mechanism and their sensitivity to the deformation rate in semi-crystalline polymers through the quantitative analysis of load-depth loading and unloading curves. The strain rate was constant during the CSM tests, while the strain rate decreased with the increasing of loading time in CLR tests. The mechanical response mechanism of the semi-crystalline polymers to these tests was very complicated because of the combined effects of strain-hardening in the crystal phase and strain-softening in the amorphous phase. Results show that the loading index m reflects the strain-hardening or strain-softening response during indentation. When m > 2, the mechanical response was due to the strain-hardening, and when m < 2, the response was due to strain-softening. A method based on the measured contact hardness was proposed to obtain the unloading stiffness, and the other mechanical parameters could then be determined according to the unloading stiffness.     

等离子体电极普克尔盒研究进展

等离子体电极普克尔盒(PEPC)用作多程放大控制、自激振荡抑制以及反激光隔离,是大型高功率固体激光器的核心器件。本文从高功率固体激光器的发展对光开关提出的要求出发,系统地综述了等离子体电极普克尔盒的性能特点以及研究进展。重点介绍了中国工程物理研究院激光聚变研究中心近年来在PEPC研究方面所取得的进展,包括单脉冲驱动的组合口径PEPC、低损耗PEPC以及重复频率运转的PEPC。     

光栅衍射实验中测量光栅常数的两种辅助方法

衍射光栅可以将不同波长的光在空间上分离开,在光谱分析领域中有广泛应用.利用光栅的衍射来测量光栅常数是大学物理实验中的一个典型实验,而本文介绍的正是光栅衍射实验中的两个有趣现象:一是旋转光栅时,谱线的偏转角存在一个最小值;二是光栅旋转到一定角度时,衍射光斑会逐渐消失在视野中.论文从理论上分析解释这两种现象,并设计出两种测量光栅常数的方法,在实验上进行验证.与传统的用最小偏转角测光栅常数的方法相比,本文重点分析了由判定最小偏转角位置偏差所带来的影响,并提出了对称旋转测量的方法来进一步减小误差.