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.     

强激光加载下高压液氘材料的电导率

液氘在高压下有丰富的电学光学性质。利用反射率和相对介电函数关系并从广义极化角度出发初步建立了计算低Z材料电导率的简易模型;在神光-Ⅱ装置上利用第九路激光冲击加载液氘材料并测量了其在强激光冲击下的高压状态参数和反射率。结合上述理论模型和实验,研究了高压下液氘的电离度和电导率。结果表明,液氘在约70 GPa时的电导率约为2.87105 (Wm)-1,已呈现出较为明显的金属电导特性。显然,冲击加载下液氘从绝缘分子态开始电离并向金属氘转变发生在更低的压强。     

Influence of non-Gaussian noise on a tumor growth system under immune surveillance

In this paper, the stationary probability distribution (SPD) function and the mean first passage time (MFPT) are investigated in a tumor growth model driven by non-Gaussian noise which is introduced to mimic random fluctuations in the levels of the immune system. Results demonstrate the different transitions induced by the strength of non-Gaussian noise under different immune coefficients and the dual roles of non-Gaussian noise in promoting host protection against cancer and in facilitating tumor escape from immune destruction. Additionally, it can be discovered that increases in noise strength, the degree of departure from Gaussian noise, and the immune coefficient can accelerate the extinction of tumor cells. Numerical simulations are performed, and their results present good agreement with the theoretical results.     

Current and strain-induced spin polarization in InGaN/GaN superlattices

The lateral current-induced spin polarization in InGaN/GaN superlattices (SLs) without an applied magnetic field is reported. The fact that the sign of the nonequilibrium spin changes as the current reverses and is opposite for the two edges provides a clear signature for the spin Hall effect. In addition, it is discovered that the spin Hall effect can be strongly manipulated by the internal strains. A theoretical work has also been developed to understand the observed strain-induced spin polarization. Our result paves an alternative way for the generation of spin polarized current.     

Characteristics of cobalt-based alloy coating on tool steel prepared by powder feeding laser cladding

Co-based alloy coating was deposited on tool steel by powder feeding laser cladding. Sections of such coatings were examined to reveal their microstructures and phases using scanning electron microscope (SEM) and X-ray diffractometer (XRD). The results showed that the prime phase (γ-Co dendrite) and other phases, including Cr₂₃C₆, Co₇W₆, and CrNi existed in the coatings. Some different solidification morphologies, such as planar (at the interface), cellular and dendrite formed, varying from the interface to the surface. Fine microstructures of γ-Co dendrite and lamellar eutectic in dendritical regions strengthened the coatings. Besides, the effects of aged treatment on the microstructure and microhardness of the surface coating were studied. Aged treatment led to the precipitations of some carbide particles (Cr₇C₃ and Co₃C) and boride particles (Co₄B) from the cladded coating, causing an increase in microhardness in the laser-cladded coating.     

One-dimensional Bi<Subscript>2</Subscript>Mo<Subscript>x</Subscript>W<Subscript>1-x</Subscript>O<Subscript>6</Subscript> sosoloids: controllable synthesis by electrospinning process and enhanced photocatalytic performance

One-dimensional Bi₂Mo_xW_1-xO₆ (x = 0, 0.2, 0.5, 0.67, and 1) photocatalysts have been successfully synthesized for the first time by a straightforward electrospinning technique with a calcination process. The as-formed Bi₂Mo_xW_1-xO₆ nanofibers are composed of inter-linked nanosheets of 30–50 nm in size and characterized by thermogravimetric and differential scanning calorimetric, Fourier transform infrared, Raman spectra, X-ray powder diffraction, scanning electron microscope, Brunauer-Emmett-Teller, transmission electron microscope, UV-Vis spectroscopy, photoluminescence, HPLC, and EIS. The photodegradation behaviors towards organic dyes, including rhodamine B (RhB) and methylene blue (MB) are investigated, and the results illustrate that Bi₂Mo_0.25W_0.75O₆ nanofibers exhibit the highest photocatalytic performance under visible light irradiation than Bi₂Mo_xW_1-xO₆ (x = 0, 0.2, 0.5, 0.67, and 1) samples. The possible mechanisms of the enhanced photocatalytic properties are discussed in detail.