MONTE CARLO SIMULATION ON AQUEOUS SOLUTION OF BIOLOGICAL MOLECULES——ALANINE SOLUTION

The Monte Carlo simulation is performed for a cluster consisting of a neutral alanine molecule surrounded by 56 water molecules. The average water-water and alanine-water interaction energies are found. The space surrounding the alanine molecule is divided into three regions, where the central atoms are C' atom for the earboxyl group region, N atom for the amino group region and C~β atom for the methyl group region. The water-water and water-alanine interaction energies as functions of the distance between the oxygen atom in a water molecule and the central atom in each region are calculated. In each region the orientational correlation function for the dipole moments of water molecules, the radial distribution function for the oxygen and hydrogen atoms of water molecules are evaluated. In addition, the numbers of water molecules in the first solvation shells of each region and of entire alanine molecule are also counted.     

Two-dimensional electron gas characteristics of InP-based high electron mobility transistor terahertz detector

The samples of In_xGa_(1-x)As/In_(0.52)Al_(0.48)As two-dimensional electron gas(2DEG)are grown by molecular beam epitaxy(MBE).In the sample preparation process,the In content and spacer layer thickness are changed and two kinds of methods,i.e.,contrast body doping andδ-doping are used.The samples are analyzed by the Hall measurements at 300 Kand 77 K.The In_xGa_(1-x)As/In_(0.52)Al_(0.48)As 2DEG channel structures with mobilities as high as 10289 cm~2/V·s(300 K)and42040 cm~2/V·s(77 K)are obtained,and the values of carrier concentration(Nc)are 3.465×10~(12)/cm~2and 2.502×10~(12)/cm~2,respectively.The THz response rates of In P-based high electron mobility transistor(HEMT)structures with different gate lengths at 300 K and 77 K temperatures are calculated based on the shallow water wave instability theory.The results provide a reference for the research and preparation of In P-based HEMT THz detectors.     

方差可能无穷的“中度偏离”单位根过程的复合分位数估计

考虑一类"中度偏离"单位根过程,y_t=q_ny_t-1+u_t,其中qn=1+c/(k_n),k_n=o(n),c为一非零常数,{u_t}为随机扰动项序列.在允许扰动项方差无穷的条件下,构造q_n的复合分位数估计,并得到了该估计的渐近分布.最后通过数值模拟,在扰动项服从t(2)分布下,说明了该估计的稳健和有效性.     

Depth resolution improvement of streak tube imaging lidar system using three laser beams

The work proposes a three-laser-beam streak tube imaging lidar system. Besides the main measuring laser beam,the second beam is used to decrease the error of time synchronization. The third beam has n+0.5 pixels' difference compared to the main measuring beam on a CCD, and it is used to correct the error caused by CCD discrete sampling. A three-dimensional(3D) imaging experiment using this scheme is carried out with time bin size of 0.066 ns(i.e., corresponding to a distance of 9.9 mm). An image of a 3D model is obtained with the depth resolution of 2 mm, which corresponds to ~0.2 pixel.     

Monolithic integration of an AlGaN/GaN metalinsulator field-effect transistor with an ultra-low voltage-drop diode for self-protection

In this paper,we present a monolithic integration of a self-protected AlGaN/GaN metal-insulator field-effect transistor(MISFET).An integrated field-controlled diode on the drain side of the AlGaN/GaN MISFET features a selfprotected function for a reverse bias.This diode takes advantage of the recessed-barrier enhancement-mode technique to realize an ultra-low voltage drop and a low turn-ON voltage.In the smart monolithic integration,this integrated diode can block a reverse bias(> 70 V/μm) and suppress the leakage current(< 5 × 10-11 A/mm).Compared with conventional monolithic integration,the numerical results show that the MISFET integrated with a field-controlled diode leads to a good performance for smart power integration.And the power loss is lower than 50% in conduction without forward current degeneration.     

纳米颗粒透明分散体及其高性能有机无机复合材料

纳米颗粒分散是无机纳米材料在有机体系中应用的关键.本文提出了采用纳米颗粒液相分散体制备高度分散纳米透明有机无机复合材料的新方法,发明了超重力反应-萃取相转移方法制备纳米颗粒液相透明分散体技术,介绍了其制备原理和实施效果,以及其在纳米复合节能膜、纳米润滑油脂和高固含量光学材料等有机无机纳米复合材料中的最新研究进展.     

氰根桥联FeⅢ-CuⅡ一维配合物{[Fe(1-CH3im)(CN)4(μ-CN)Cu(cyclam)]·H2O}n的合成、结构及磁性研究

基于构筑单元K2[Fe(1-CH3im)(CN)5]和[Cu(cyclam)](ClO4)2,合成了一个氰根桥联FeⅢ-CuⅡ中性一维化合物{[Fe(1-CH3im)(CN)4(μ-CN)Cu(cyclam)]·H2O}n(1-CH3im=1-甲基咪唑;cyclam=1,4,8,11-四氮杂环十四烷)(1),并通过X-射线单晶分析表征其结构特征。结果表明:化合物(1)是由氰根桥联的杂金属组成的聚合物,其结构属于三斜晶系,P1空间群,a=0.832 56(17)nm,b=0.899 38(18)nm,c=0.998 3(2)nm,α=111.94(3)°,β=95.06(3)°,γ=116.90(3)°,V=0.587 7(2)nm3,Z=1,Dc=1.554 g·cm-3,μ=1.558 mm-1,F(000)=286,R1=0.051 9,wR2=0.135 3。磁性研究表明:配合物1中CuⅡ和低自旋的FeⅢ离子之间存在弱的铁磁耦合作用。     

金属-有机框架HKUST-1膜在气体分离中研究进展※

发展高效、绿色且节能的物质分离与纯化技术具有重要意义, 气体分离更是在工业、能源、医疗及科技等领域有着广泛的应用. 传统的聚合物膜在实现高效气体分离方面还面临许多挑战, 新型分离膜材料的开发是当前研究热点和难点. 金属-有机框架(Metal-Organic Frameworks, MOFs)材料作为一种新兴多孔配位聚合物, 由于其具有独特可设计的拓扑结构以及可调节的功能而受到科学家们的广泛关注. 为了克服粉体或块体MOFs很难被高效用于气体分离的难题, 开发可用于分离的MOFs膜材料是一项具有重要意义且具有挑战性的任务. HKUST-1作为一种代表性的MOFs材料, 由于其结构稳定且原料经济并具有多级孔径的结构, 常被用作制备成膜材料用于气体分离的研究和实际应用. 总结了近十年HKUST-1膜的制备方法及其气体分离性能的研究进展, 并对这个方向的研究提出了自己的看法和展望.     

油井用相变微胶囊的制备与性能

针对深水固井作业过程中水泥水化放热较大,易致使环空地层天然气水合物分解的技术难题,本文以石蜡为芯材,碳酸钡为壁材,制备了一种油井用相变微胶囊。首先,利用FT-IR、DSC、TGA与SEM对相变微胶囊的化学组成、热性能与微观形貌进行了表征。结果表明：相变微胶囊的封装效率为67.40%,具有较高的封装效率和良好的潜热储存能力。其次,对粒径分布与润湿性能进行了测试。结果表明：微胶囊颗粒平均粒径为4.946 μm,小于水泥颗粒粒径17.201 μm,可较好的镶嵌在水泥石中,并充填于水泥水化产物之间,减小对水泥石力学性能的负面影响;微胶囊与水的静态接触角为46.8°,具有良好的亲水性能,可应用于水基的水泥浆环境中。最后,将微胶囊应用于水泥浆体系,研究了水泥浆的水化温升和水化热。结果表明：与空白水泥浆相比,加入12%相变微胶囊水泥浆的最高水化温升与水化热（48 h）分别下降了14.56%和43.23%。      

高可见光催化降解污染物和产氢活性的Z型N-掺杂K4Nb6O17/g-C3N4异质结

随着人口增长和全球工业化进程加快,人们饱受环境污染和能源短缺问题的困扰.半导体光催化技术作为一种高效、可持续、环境友好、有潜力的新技术,在环境净化和能源开发方面有着广阔的应用前景.到目前为止,人们已开发出多种半导体光催化剂,并广泛应用于污染物降解、氢气制备和二氧化碳还原等领域.其中,化合物K4Nb6O17具有典型的层状结构、合适的电子能带结构、结构易改性以及良好的电荷传输性能等特点,在光催化领域得到了广泛研究.然而,单纯K4Nb6O17仍存在光响应范围窄、光生载流子复合率高等问题,限制了K4Nb6O17的进一步应用.因此,需要对K4Nb6O17进行改性,拓宽其光吸收范围,提高其光生载流子分离效率,从而提高其光催化活性.本研究通过简单焙烧法制备Z型N-掺杂K4Nb6O17/g-C3N4(KCN)异质结光催化剂,其中石墨相氮化碳(g-C3N4)在复合材料中质量比约为50%.层状K4Nb6O17层板的电子结构通过N掺杂进行调控,拓宽其光响应范围,使其具有可见光响应;同时,形成的g-C3N4位于N-掺杂K4Nb6O17的外层以及内层空间,在这两种组分之间形成异质结,有利于提高光生载流子的分离效率.荧光光谱、时间分辨荧光光谱和光电化学测试表明,N掺杂和异质结的形成有利于增强光生电子-空穴对的传输和分离效率.通过在可见光照射下降解罗丹明B(RhB)和产氢来评估材料的光催化性能.相比g-C3N4(8.24μmol/h)和Me-K4Nb6O17(~1.30μmol/h),KCN复合材料光催化产氢效率(~16.91μmol/h)得到了极大提高,并显示出极好的光催化产氢稳定性能.对于光催化降解RhB体系,KCN复合材料也显示出较好的光催化活性和稳定性,并能很好地将RhB矿化.鉴于KCN复合材料具有较小的比表面积(9.9 m^2/g)且无孔结构,认为比表面积对光催化活性影响较小.因此,与单组分相比,KCN复合材料光催化产氢和RhB降解活性都得到了极大提高,活性的增强主要归功于N掺杂和异质结形成的协同效应,其中N掺杂可以拓宽光捕获能力,异质结形成可提高电荷载流子的分离效率.电子自旋共振(ESR)谱表明,在KCN降解RhB体系中,超氧自由基(·O2^?)、羟基自由基(·OH)和空穴(h^+)作为主要活性物质都参与了反应.结合实验结果可以推测KCN复合材料满足了Z型光催化体系,该体系具有高效的光生载流子分离效率和较高的氧化还原能力.