卟啉基非金属纳米片用于可见光光催化制氢

本文基于密度泛函理论预测了一种用于可见光范围光催化制氢的新型二维非金属纳米材料,该材料可以由HTAP分子脱氢聚合得到,具有良好的结构稳定性,且带隙为2.12 eV,可以实现可见光区域的光捕获. 材料的带边能级位置恰好包裹水的氧化还原电位,有利于实现全光解水. 电子的迁移率略高于空穴的迁移率,有利于光生载流子的分离. 光生电子可以提供足够的驱动力使得析氢反应自发进行.     

Radiation Vulcanization of Magnetorheological Elastomers Based on Silicone Rubber

介绍了两种制备磁流变弹性体的硫化方法即高温硫化和辐射硫化. 研究中采用动态力学分析仪(DMA)测量了样品的动态力学特性.特别是对样品的磁流变效应和耐久性进行了详细的测试. 实验结果表明,经过辐射硫化的样品具有更大的零场模量和磁致模量,以及更好的磁流变效应和耐久性. 为了解释这些结果,文章对样品的体积形变和增塑剂渗出都作了详细的分析. 在硫化过程中样品的体积保持稳定是辐射硫化样品具有大磁致模量的重要原因,而增塑剂渗透性小也是辐射硫化样品具有高磁流变效应和耐久性的重要因素.     

用并行扫描方法开展的表面等离激元电子能谱成像

本文报道了高定向热解石墨上银纳米结构表面等离激元的电子能谱成像研究. 本文利用现有扫描探针电子能谱仪的角度色散特性,发展了一种多道测量模式. 通过沿一个方向扫描,可以并行获得银纳米结构表面等离激元电子能谱的二维分布. 实验确定的能谱成像空间分辨为80 nm左右.     

Electrical, dielectric and surface wetting properties of multi-walled carbon nanotubes/nylon-6 nanocomposites

This paper reports that the multi-walled carbon nanotubes(MWCNT)/nylon-6 (PA6) nanocomposites with different MWCNT loadingshave been prepared by a simple melt-compounding method. Theelectrical, dielectric, and surface wetting properties of theCNT/PA6 composites have been studied. The temperature dependence ofthe conductivity of the CNT/PA6 composite with 10.0 wt{\%} CNTloading ($\sigma _{\rm RT} \sim 10^{-4}$ S/cm) are measured, andafterwards a charge-energy-limited tunnelling model (ln $\sigma (T)\sim T^{-1/2})$ is found. With increasing CNT weight percentage from0.0 to 10.0 wt%, the dielectric constant of the CNT/PA6composites enhances and the dielectric loss tangent increases twoorders of magnitude. In addition, water contact angles of theCNT/PA6 composites increase and the composites with CNT loadinglarger than 2.0 wt%even become hydrophobic. The obtainedresults indicate that the electrical and surface properties of thecomposites have been significantly enhanced by the embedded carbonnanotubes.     

Optical properties of two-dimensional perovskites

The optical properties of two-dimensional (2D) perovskites recently receive numerous research focus thanks to the strong quantum and dielectric confinement effects. In addition to the strong excitonic effect at room temperature, 2D perovskites also have appealing features that their optical properties can be flexibly tuned by alternating organic or inorganic layers. Particularly, 2D chiral perovskites and 2D perovskites based heterostructures are emerging as new platforms to extend their functionalities. To optimize performance of 2D perovskites-based optoelectronic devices, it is critical to understand the fundamentals and explore the strategies to engineer their optical properties. This review begins with an introduction to the excitons and self-trapped excitons of 2D perovskites. Subsequently, inorganic/organic layer effects on optical properties and 2D perovskites based heterostructures are discussed. We also discussed the nonlinear optical properties of 2D perovskite. We are looking forward to that this review can stimulate more efforts to understand and optimize the optical properties of 2D perovskites.     

The existence and stability of bulk nanobubbles:a long-standing dispute on the experimentally observed mesoscopic inhomogeneities in aqueous solutions

In theory,nanobubbles can stably exist with a lifetime of microseconds at most,but numerous experimental observations demonstrate that nanobubbles in bulk solution can be stable from hours to weeks.Although various conjectures on the stability mechanism of bulk nanobubbles,such as the contaminant mechanism,skin mechanism,surface zeta potential mechanism,are proposed,there has not yet been a unified conclusion.Since bulk nanobubbles show great potential in a wide spectrum of applications and are relevant to a number of unsolved questions on cavitation and nucleation,the debate over their stability mechanisms has been active.In the past,extensive studies have been carried out to understand the mechanism of nanobubble stability,and important insights have already been provided.This paper will provide a brief overview of our current understanding of the unexpected stability of bulk nanobubbles.     

Cavity Ring Down Laser Absorption Spectroscopy of NiI

用激光蒸发/反应、超声射流和光腔衰荡吸收光谱方法研究NiI在445～510 nm的吸收光谱. 发现两个新的跃迁体系[21.3]²?_5/2～X²?_5/2和[21.9]²Π_3/2～X²?_5/2,并且观察到了同位素分子⁵⁸NiI和⁶⁰NiI光谱. 同时计算得到了电子态[21.3]^{2相似文献}   

稀有气体二聚体基准集NgD×15构建及其对DFT方法的评价

基准集是训练和评价量子化学计算方法的重要工具,稀有气体二聚体Ng_2作为重要的弱色散体系,目前为止仍没有一个较为完整、精确的基准集,最近Head Gordon研究组发表MGCD84数据库时,其RG10基准集仍沿用了Tang-Toennies经验势.本文首先以He_2为例,证明了在CCSD(T)水平,使用中点键函数{6s6p6d3f2g1h}的aug-cc-pV5Z基组收敛性;并在CCSD(T)/aug-cc-pV5Z-{6s6p6d3f2g1h}水平下,经BSSE均衡校正后,获得了He_2至Rn_2全部同核稀有气体二聚体的15点相互作用势,构建了NgD×15基准集.并以此为标准,重新评价了目前常用的DFT的非局域和色散校正方法.总体上,非局域校正的精度较D3色散校正高,ωB97X-V及ωB97X-rV两种方法是该体系最优性价比的DFT-NL方法.     

Study of a millimeter-wave squint indirect holographic algorithm suitable for imaging with large field-of-view

In this paper a millimeter-wave （MMW） squint indirect holographic method is presented, which is suitable for imaging with a large field-of-view. The proposed system employs the squint operation mode to remove the background and twin- image interferences, which achieves a similar effect to off-axis holography but leaves out the large-aperture quasi-optical component. The translational scanning manner enables a large field of view and ensures the image uniformity, which is difficult to realize in off-axis holography. In addition, a corresponding imaging algorithm for the presented scheme is developed to reconstruct the image from the recorded hologram. Some imaging results on typical objects, obtained with electromagnetic simulation, demonstrate good performance of the imaging scheme and validate the effectiveness of the image reconstruction algorithm.     

ComBn(m+n≤6)团簇的结构，电子特性和磁性研究

基于密度泛函理论和卡里普索结构预测方法,系统研究了ComBn(m+n≤6)团簇的结构,电子特性和磁性。首先,通过卡里普索结构预测方法获得了体系的基态和亚稳态结构。基于基态结构,利用HOMO-LUMO能隙,垂直电离势,垂直电子亲和势和化学硬度分析了掺杂体系的稳定性。最后,研究了基态结构对应的自然布局分布,自然电子组态等电子特性和磁性。