Free-Space QKD with Modulating Retroreflectors Based on the B92 Protocol

Free-space quantum key distribution (QKD) has attracted considerable attention due to its lower channel loss and link flexibility. It allows two participants share theoretical unconditional secure keys, and can potentially be applied to air-to-ground quantum communication to establish a global quantum network. Free-space QKD using modulating retro-reflectors (MRR-QKD) significantly reduces the pointing requirement and simplifies the structure of the mobile terminal, therefore making it suitable for lightweight aircraft such as unmanned aerial vehicle and Cubesat, etc. Based on intensity modulation of two non-orthogonal states and the B92 protocol, we proposed a scheme to improve the previous work (Optics Express 2018, 26, 11331). Our scheme simplifies the optical structure and shows more robustness in equipment imperfection. The analysis and simulation show that the number of multiple quantum well modulators needed in our scheme decreases from eight to three with similar performance. Additionally, while the previous scheme cannot work due to low modulator extinction ratio or high optical misalignment, our scheme can still operate.     

FOURIER-CHEBYSHEV PSEUDOSPECTRAL METHOD FOR THREE-DIMENSIONAL VORTICITY EQUATION WITH UNILATERALLY PERIODIC BOUNDARY CONDITION

A Fourier-Chebyshev pseudospectral scheme is proposed for three-dimensionalvorticily equation with unilaterally periodic boundary condition. The generalized stability and convergence are analysed. The numerical results are presented.     

Theoretical Investigation on the Hydrogen Evolution,Oxygen Evolution,and Oxygen Reduction Reactions Performances of Two-Dimensional Metal-Organic Frameworks Fe3(C2X)12 (X = NH,O, S)

Two-dimensional metal-organic frameworks (2D MOFs) inherently consisting of metal entities and ligands are promising single-atom catalysts (SACs) for electrocatalytic chemical reactions. Three 2D Fe-MOFs with NH, O, and S ligands were designed using density functional theory calculations, and their feasibility as SACs for hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR) was investigated. The NH, O, and S ligands can be used to control electronic structures and catalysis performance in 2D Fe-MOF monolayers by tuning charge redistribution. The results confirm the Sabatier principle, which states that an ideal catalyst should provide reasonable adsorption energies for all reaction species. The 2D Fe-MOF nanomaterials may render highly-efficient HER, OER, and ORR by tuning the ligands. Therefore, we believe that this study will serve as a guide for developing of 2D MOF-based SACs for water splitting, fuel cells, and metal-air batteries.     

钨/石墨烯/钨面向等离子体复合材料力学与热学及耐辐照性能衰减的第一性原理计算

通过第一性原理计算研究了钨/石墨烯/钨复合材料相比于纯钨金属在力学与热学性质方面的变化,并用氦原子-空位缔合缺陷模拟核聚变辐照损伤评估等离子体辐照条件下的性能。计算结果表明：钨/石墨烯/钨复合材料的体积弹性模量、杨氏模量与剪切模量呈现一定程度的下降,但是提升了钨基材料的延展性;钨/石墨烯/钨复合材料的热膨胀系数有所增加,但是具有较高的最小热导率。本文阐述了石墨烯界面层可以对基体杂质与缺陷进行吸附的独特机制,通过这种机制,钨/石墨烯/钨复合材料在力学、热膨胀系数以及最小热导率有更低程度的衰减,这显示了钨/石墨烯/钨复合材料在抗辐照性能方面具有较大的应用潜力。     

H2S和H2S+的振动光谱和电子能谱计算

本文基于MOLPRO软件包使用从头算方法计算了星际分子H₂S及其阳离子H₂S⁺的势能面及光电子能谱.首先,在(U)CCSD/cc-pVQZ理论水平下获取了H₂S沿法线坐标展开的势能面,势能面直观描述了不同振动模式耦合对分子能量变化的影响,S-H键的非对称伸缩振动和面内弯曲振动共同作用使得系统势能变化范围明显变大.振动多组态相互作用方法被用来计算非谐振动频率和振动光谱,计算结果显示,倍频和组合频之间出现了强烈的费米共振,使得相应波段处的红外强度显著增强.最后,使用拉曼波函数和收缩不变Krylov子空间方法首次计算了H₂SΧ¹A₁→H₂S⁺ X²B₁的光电子能谱.此项研究有助于进一步理解星际分子的内部结构,并为实验研究及星际观测提供参考.     

反铁磁链中Dzyaloshinskii–Moriya机制驱动矢量自旋手征束缚态的研究

Dzyaloshinskii-Moriya(DM)相互作用驱动的矢量自旋手征态,能和声子发生耦合,具备非常丰富的物理现象.本论文以一维反铁磁链中自旋手征-声子耦合模型为基础,研究不同声子环境下,耦合强度对自旋手征动力学演化过程的影响规律.结果表明,对自旋S=1/2的系统,在不同的声子浴(sub-Ohmic(0 1))中,均会在非相干到相干自旋涨落过程中产生无能隙一级相变,其来源是自旋手征束缚态的形成.相变发生的临界自旋-声子耦合强度正比于自旋涨落大小,反比于系统德拜频率.当自旋-声子耦合强度超过其临界值时,自旋手征束缚态的产生将极大地抑制非相干自旋涨落.     

Synthesis of Ethynylated Phenothiazine Based Fluorescent Boronic Acid Probes

Ethynylated phenothiazine based fluorescent boronic acid probes were prepared. Sonogashira coupling reaction was used to introduce substituted phenylethynylene fragments to the phenothiazine fluorophore to extend the π-conjugation and to enhance the emission property. The photophysical properties and the binding properties of these probes with hydroxyl acids were investigated. We found that the probes with significant ICT effect show emissions which are sensitive to solvent polarity. The phenothiazine moiety is proved to be electron-donating. We found the substitution profile imparts significant effect on the photophysical properties of the probes. For example, one of the probes shows d-PeT effect, whereas the regioisomer probe with similar π-conjugation fragment but different substitution profile shows the a-PeT effect. The easy derivatization of phenothiazine fluorophore, the structure-photophysical property relation and the novel d-PeT fluorescence transduction profile of the phenothiazine based probes described herein may inspire more investigation into this fascinating research area.     

Red top-emitting organic light-emitting device with improved efficiency and saturated color

In this work, characteristics of microcavity top-emitting red organic light-emitting device (TEROLED) having metallic electrodes had been examined. The TEOLED shows the higher efficiency in comparison with that of the bottom OLED. However, color variation with the increasing view angles is also observed. For the purpose of diminishing the blue-shift of resonant wavelength (RW) in the device with increasing view angle, the effect of out-coupling layer on the emission properties of the TEOLED is discussed in detail. Finally, the out-coupling layer was introduced in theory without sacrificing the efficiency through precise optical simulation.     

A molecular dynamics study on melting point and specific heat of Ni<Subscript>3</Subscript>Al alloy

Using the Embedding Atom Method (EAM) for highly undercooled Ni₃Al alloy, the melting point and the specific heat were studied by a molecular dynamics simulation. The simulation of melting point was carried out by means of the sandwich method and the NVE ensemble method, and the results show a good agreement, whereas are larger than the experimental value of 1663 K. This difference is attributed to the influence of surface melting on experimental results, which causes the smaller measurements compared with the thermodynamic melting point. The simulated specific heat of Ni₃Al alloy weakly and linearly increases with the increase of undercooling in the temperature range from 800 K to 2000 K. Supported by the National Natural Science Foundation of China (Grant No. 50395101)     

Ag-mediated charge transfer from electron-doped SrTiO3 to CO and NO: A first-principles study

Ag-mediated charge transfer from electron-doped SrTiO₃ to molecules CO and NO has been studied through the first-principles calculations based on density functional theory (DFT). Evaluation of Fukui functions indicates that Ag atom on SrTiO₃ (001) surface is presented as an active reduction and oxidation site. It shows that Ag prefers to mediate the charge transfer from electronically excited SrTiO₃ to target species. It illustrates that electron initially transfers from electron-doped SrTiO₃ to Ag, i.e., Ag is negatively charged. Interfacial charge transfer induces dipole moment and changes the surface work function. SrO-termination of SrTiO₃ (001) surface has weak activity to CO and NO while CO and NO can be strongly adsorbed on the negatively charged Ag atom. Negatively charged Ag donates its charge to the molecules. Charge occupies the molecule π_2p* orbital, which is responsible for the activation of the molecular bonds. Evidence that deposited metals on photocatalyst surface can efficiently separate the photogenerated electron-hole pairs has been addressed in this study.