Multifunctionality for the nanojunction of a rotating p-phenylene vinylene molecule between graphene leads

With the multi-functional molecular device based on graphene nanoribbon being deeply studied in experiment, the zigzag-edged graphene device is still worth to investigate. Employing the ab-initio method, the spin transport properties have been studied for the nanojunctions consisting of a p-phenylene vinylene (PPV) molecule sandwiched between two-probe leads of zigzag-edged graphene nanoribbons (ZGNRs). A series of obvious electromagnetic transmission functionalities, including spin switching, negative differential resistance (NDR), dual spin-filtering, magnetoresistance and spin-diode behaviors, are numerically referred in the proposed molecular junction within spin parallel or antiparallel configurations. The performance of switching and double spin filtering can be explained by the transport spectra or total transmission pathways. Besides, the rectification effect is due to the asymmetry spatial distribution of the local density of states as well as the corresponding coupling between the PPV molecule and leads. It is expected that the designed models can be ideal candidate for future spintronic device.     

压电与摩擦电复合型旋转能量采集动力学协同调控机制研究

低转速激励下能量采集性能差是目前制约旋转能量采集技术应用的瓶颈问题. 本文提出了动力学协同调控机制, 并用于调控系统的动力学行为, 可以使器件在低转速激励下有效工作, 提高了旋转能量采集系统的电学性能. 旋转刚度软化、非线性磁力、几何边界的协同调控既可以增加系统在低速下的振动位移以及压电材料的形变, 也可调控系统的最大位移, 使其振动可控并限制位移过大提高可靠性. 此外, 几何边界可以方便地集成摩擦纳米发电机, 实现压电与摩擦两种机电转换机制在振动和碰撞过程中协同发电, 有效利用空间和提高输出电能. 基于哈密顿原理建立了系统的机电耦合动力学模型并进行了实验验证. 实验结果表明系统能够在0~250 r/min的低转速范围内有效工作, 在转速为250 r/min时, 压电单元和摩擦纳米发电机的最大峰峰值电压分别为132 V和1128 V, 总平均功率为1426 μW. 本文提出的动力学协同调控机制为能量采集系统动力学和电学性能改进提供新的途径, 有益于促进自供能物联网技术的发展与应用.      

Density Functional Theory Study of Water Diffusion and Clustering on Pd（111）

1 INTRODUCTION The interaction of water molecules with metal sur- faces plays a vital role in a number of important pro- cesses, such as corrosion, heterogeneous catalysis, electrochemical processes in aqueous solutions, hydrogen production, etc.[1] The structure and pro- perties of water adsorbed on well-defined metal sur- faces have been the subject of numerous experi- mental and theoretical investigations. There have been a number of experimental studies of water on metal surfaces throu…     

Préparation des complexes [(C5Me4H)2MX2] (M  Ti,Zr; X  Cl,alkyl, aryl,CO). Etude par RMN dynamique de la gêne stérique à la rotation des groupements aryle liés au métal

The new ligand C₅Me₄H reacts with [TiCl₃] or [ZrCl₄] to afford the dichlor complexes [(C₅Me₄H)₂MCl₂] (M  Ti, Zr) and the trichloro complex [(C₅Me₄H)-TiCl₃]. Treatment of these complexes with RLi, or their reduction under CO, gives the derivatives [(C₅Me₄H)₁)MR₂] (R  CH₃, C₆H₅, p-C₆H₄CH₃, CO). The preparation of the new series of compounds, [(C₅Me₄H)(C₅H₅)TiR₂], is also described. The electronic effects of the C₅Me₄H ligand resemble closely those of C₅Me₅. The coalescence of the ¹H and ¹³C NMR aromatic signals indicates that rotation of the aromatic nucleus around the metal-carbon bond is restricted owing to the large size of the C₅Me₄H ligand in the aryl complexes. The activation parameters of this rotation have been determined for [(C₅Me₄H)₂Ti(p-C₆H₄CH₃)₂].     

MoSi2-Mo5Si3-Mo5SiB2/SiC配对副的摩擦磨损性能

MoSi₂-Mo₅Si₃-Mo₅SiB₂复合材料是一种很有发展前景的高温耐磨材料,但MoSi₂-Mo₅Si₃-Mo₅SiB₂/SiC配对副的干滑动摩擦磨损性能尚不清楚. 本文中通过销-盘式干滑动摩擦磨损试验,考察了MoSi₂-Mo₅Si₃-Mo₅SiB₂/SiC配对副在不同温度(25~1 000 ℃)和载荷下(2.5~10 N)的摩擦学特性. 结果表明:试验温度和载荷对MoSi₂-Mo₅Si₃-Mo₅SiB₂/SiC配对副的摩擦系数影响较大,而对其磨损率影响较小. 载荷为5 N时,在25~1 000 ℃区间,摩擦系数和磨损率分别在0.11~0.43和0.513×10-7~0.544×10-7 mm3/(N·m)范围;在25~400 ℃时,磨损机制以轻微的氧化和黏着磨损为主,在600~1 000 ℃磨损机制主要表现为严重的氧化和黏着磨损. 在1 000 ℃时,随着载荷(2.5~10 N)的增加,摩擦系数和磨损率分别为0.29~0.38和0.540×10-7~0.547×10-7 mm3/(N·m);载荷为2.5~10 N时,始终存在黏着和氧化磨损;载荷为7.5~10 N时,材料磨损表面还伴随碾压塑性变形的特征.      

考虑初始缺陷与弹性模量的岩石变形破坏过程模拟方法

针对扰动作用下岩石存在初始缺陷的特点,通过探讨含初始缺陷岩石变形力学特征,根据含初始缺陷岩石弹性模量的变化情况,建立了初始损伤的确定方法。然后,引入几何损伤理论,通过分析三轴压缩条件下岩石损伤演化规律,建立了含初始缺陷岩石损伤模型,进而建立了考虑初始缺陷与弹性模量的岩石统计损伤本构模型,并给出了参数的确定方法。最后,通过砂岩三轴压缩试验资料分析得出:本文理论模型能够反映不同围压作用下含初始缺陷岩石的变形破坏全过程,与试验曲线较为接近;且常见损伤模型是本文理论模型的特例,表明本文模型和方法具有一定的合理性与可行性。     

Robust fuzzy control for chaotic dynamics in Lorenz systems with uncertainties

This paper deals with the robust fuzzy control for chaotic systems in the presence of parametric uncertainties. An uncertain Takagi--Sugeno fuzzy model for a Lorenz chaotic system is first constructed. Then a robust fuzzy state feedback control scheme ensures the control for stable operations under bounded parametric uncertainties. For a chaotic system with known uncertainty bounds, a robust fuzzy regulator is designed by choosing the control parameters satisfying the linear matrix inequality. To verify the validity and effectiveness of the proposed controller design method, an analysis technique is suggested and applied to the control of an uncertain Lorenz chaotic system.     

Mitochondria-targeted fluorescent probe based on vibration-induced emission for real-time monitoring mitophagy-specific viscosity dynamic

Directly monitoring mitophagy-specific viscosity dynamic in living cells is of great significance but remains challenging. Herein, this study reported a novel mitochondria-targeted fluorescent probe DPAC-DY based on vibration-induced emission (VIE) for monitoring viscosity changes during mitochondrial autophagy. This probe contained N,N'-diphenyl- dihydrodibenzo[a,c]phenazine (DPAC) as the VIE core and two positively charged pyridinium moieties for mitochondria anchoring. As the ambient viscosity increased, the vibration of DPAC-DY could be hindered, and subsequently resulting in the enhancement of fluorescence emission. In vitro and intracellular experiments indicated that the probe DPAC-DY showed highly sensitive response to viscosity due to VIE mechanism. Importantly, by virtue of this probe, in situ and real-time visualization of the specific viscosity dynamics during the mitochondrial autophagy process was achieved. Thus, this work provides a novel strategy for VIE-based viscosity response sensors applied to specific organelles and offers a platform for in-depth study of mitochondrial viscosity-related diseases.     

Comments on a peak of AlxGa1−xN observed by infrared reflectance

Al_xGa_1−xN epilayers, grown on c-plane oriented sapphire substrates by metal organic chemical vapour deposition (MOCVD), were evaluated using FTIR infrared reflectance spectroscopy. A peak at ∼850 cm⁻¹ in the reflectance spectra, not reported before, was observed. Possible origins for this peak are considered and discussed.     

A panchromatic pyrazine-fused porphyrin dimer

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