GeH/π层间弱相互作用调控锗烯电子结构的机制

锗烯是继石墨烯、硅烯发现以来最重要的二维纳米材料之一, 以其优异的物理化学性质迅速得到人们的广泛关注. 然而, 锗烯具有的零带隙能带特点(狄拉克点)极大程度地限制了其在微电子纳米材料方面的应用. 本文采用范德华力修正的密度泛函计算方法, 研究了锗烯、锗烷、锗烯/锗烷的几何和电学性质. 研究发现, 锗烯和锗烷可以通过弱相互作用形成稳定的双层结构, 并在锗烯中打开一个85 meV的带隙. 电子结构分析表明, Ge-H/π 的存在破坏了锗烯子晶格的对称性, 从而在狄拉克点上打开一个带隙. 差分电荷密度图分析表明有部分电荷从H原子的s轨道转移至Ge的p_z轨道. 该电荷转移机制增强了锗烯与锗烷之间的相互作用力, 是形成锗烯/锗烷双层二维纳米结构的主要原因. 进一步研究还发现, 锗烷/锗烯/锗烷的三明治结构无法在锗烯中打开带隙. 这是由于两侧的锗烷对夹层的锗烯作用力等价, 无法破坏锗烯的子晶格对称性, 所以无法打开锗烯带隙. 最后, 所有计算结果都在高精度杂化密度泛函HSE06计算精度下得到进一步验证. 因此, 本文从理论上提出了一种切实可行的打开锗烯狄拉克点的方法, 为锗烯在场效应管和其他纳米材料中的应用提供了理论指导.     

类Liu系统在水声微弱信号检测中的应用研究

利用三阶混沌系统构造了一种新的微弱信号检测系统——类Liu系统, 对类Liu 系统进行了深度的理论分析. 类Liu系统中, 当输入待测信号幅值大于某临界值时, 系统可达到平衡点S₀, S₀中系统变量x平衡于摄动力信号, 系统变量y, z收敛于零态, 且S₀ 对应的Lyapunov指数小于零. 通过Matlab仿真、Multisim电路仿真以及实际电路证明了类Liu系统的周期态收敛性及广域检测性, 解决了传统Duffing系统进行微弱信号检测时周期态不收敛、只能进行窄域检测等问题, 同时谱级信噪比范围仍可达-46.57 dB. 类Liu系统采用了全新的设计理念, 具有较高的实用价值, 对未来海洋物联网中的水声通信有一定参考价值.     

Triplet pairing states with equal spins in ferromagnet/superconductor heterojunctions for noncollinear magnetizations

Four-component Bogoliubov-de Gennes equations are applied to study tunneling conductance spectra of ferromagnet/ferromagnet/d-wave superconductor (F₁/F₂/d-wave S) tunnel junctions and to find out signs of spin-triplet pairing correlations induced in the proximity structure. The pairing correlations with equal spins arises from the novel Andreev reflection (AR), which requires at least three factors: the usual AR at the F₂/S interface, spin flip in the F₂ layer, and superconducting coherence kept up in the F₂ layer. Effects of angle α between magnetizations of the two F layers, polarizations of the F₁ and F₂ layers, the thickness of the F₂ layer, and the orientation of the d-wave S crystal on the tunneling conductance are investigated. A conversion from a zero-bias conductance dip at α = 0 to a zero-bias conductance peak at a certain value of α can be seen as a sign of generated spin-triplet correlations.     

Numerical analysis for the mixed Navier–Stokes and Darcy Problem with the Beavers–Joseph interface condition

In this article, we consider the coupled Navier–Stokes and Darcy problem with the Beavers–Joseph interface condition. With suitable restrictions of physical parameters α and ν, we prove the existence and local uniqueness of a weak solution. Then we propose a coupled finite element scheme and a decoupled and linearized scheme based on two‐grid finite element. Under suitable further restrictions, their optimal error estimates are obtained. Finally numerical experiments indicate the validity of the theoretical results as well as the efficiency and effectiveness of the decoupled and linearized two‐grid algorithm. © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 1009–1030, 2015     

相干态统计特性的弱测量结构研究

理论分析相干态位移参数估计在弱测量方法下的放大效应.引入偏振态作为附属态(Ancilla States),分别进行初选择和后选择,中间的相互作用采用了偏振相关的弱位移操作算符.通过最后检测光子数的分布来估计位移参数;在牺牲检测光子强度的情况下可以有效提高放大效应.     

Synthesis and crystal structure of 2-{5-[2-(2,6-dichlorophenylamino)benzyl]-4-p-tolyl-4H-1,2,4-triazol-3-ylthio}acetate

The compound 2-{5-[2-(2,6-dichlorophenylamino)benzyl]-4-p-tolyl-4H-1,2,4-triazol-3-ylthio}acetate has been prepared and characterized by IR, ¹H NMR, ¹³C NMR and mass spectra. The crystal and molecular structure were further confirmed using single crystal X-ray diffraction. The crystal structure has been found to be stabilized by intermolecular C–H···O interaction generating bifurcated hydrogen bonds whereas the C–H···N interactions generate chain of molecules. The intramolecular N–H···N hydrogen bond forms a ring with S(7) graph-set motif.     

Probing the CH⋅⋅⋅π Weak Hydrogen Bond in Anesthetic Binding: The Sevoflurane–Benzene Cluster

Cooperativity between weak hydrogen bonds can be revealed in molecular clusters isolated in the gas phase. Here we examine the structure, internal dynamics, and origin of the weak intermolecular forces between sevoflurane and a benzene molecule, using multi‐isotopic broadband rotational spectra. This heterodimer is held together by a primary C? H???π hydrogen bond, assisted by multiple weak C? H???F interactions. The multiple nonbonding forces hinder the internal rotation of benzene around the isopropyl C? H bond in sevoflurane, producing detectable quantum tunneling effects in the rotational spectrum.     

A weak cation exchanger by encapsulating silica with maleic anhydride–modified polyvinyl alcohol

A novel weak cation exchanger is described by encapsulating silica with a (or multiple) layer(s) of maleic anhydride–modified polyvinyl alcohol coating(s). The preparation method is facile and fast, which is simply performed by dipping silica particles into maleic anhydride–modified polyvinyl alcohol solution as‐synthesized, then filtering and curing thermally, and finally generating a thin coating onto silica particles. Multiple layers of maleic anhydride–modified polyvinyl alcohol coatings can be generated by repeating above steps, offering an easy way to manipulate the capacity. The obtained weak cation exchanger demonstrated high separation efficiency and good selectivity toward common inorganic cations, for example, high plate count of 81 000 per meter was obtained for NH₄⁺. Simultaneous separation of alkali and alkaline earth metals could be achieved within 14 min under isocratic conditions.     

一种超混沌映射的单双参量自适应同步

利用参量自适应法实现了超混沌系统Kawakami映射的同步.通过严密的数学推导,给出了Kawakami映射在单参量自适应下实现同步的充分条件,并在双参量自适应控制下系统同样实现了同步.数值模拟结果显示,该映射输出具有类似于白噪声的宽谱特性,因此比较适合用于保密通信.     

双波长分光光度法测定有机弱酸弱碱的解离常数

本文提出了一种测定有机一元弱酸弱碱解离常数的新方法———双波长分光光度法。该方法是在选定的一对工作波长下测定相同浓度不同pH值的有机一元弱酸弱碱水溶液的吸光度,利用所推导的公式作图求得pKa(或pKb)。利用本方法测定了甲基橙、溴甲酚绿、苯酚和苯胺等多种常见的有机一元弱酸弱碱的解离常数,结果十分满意。与传统的单波长分光光度法相比,双波长法测定结果的精密度和准确度更高。