Electron transfer at different electrode materials: Metals,semiconductors, and graphene

Electron transfer reactions are the most important processes at electrochemical interfaces. They are determined by the interplay between the interaction of the reactant with the solvent and the electronic levels of the electrode surface. Theoretical treatments only based on Density Functional Theory calculations are not sufficient. This review emphasizes mainly the effect of the electronic structure of the electrode material on electron transfer under different kinetic regimes. Our goal is to understand experimental results in the framework of a theory valid for arbitrary strengths of electronic coupling.     

Heterogeneous/homogeneous and inclined magnetic aspect of infinite shear rate viscosity model of Carreau fluid with nanoscale heat transport

The study of the inclined flow along with the heterogeneous/homogeneous reactions in the fluid has been widely used in many industrial and engineering applications, such as petrochemical, pharmaceutical, materials science, heat exchanger design, fluid flow through porous media, etc. The purpose of this study is to present an infinite shear rate viscosity model using the inclined Carreau fluid with nanoscale heat transport. The model considers the effect of inclined angle on the fluid’s viscosity and the transfer of heat at the nanoscale. The result shows that the viscosity of the fluid decreases by increasing the inclination angle and the coefficient of heat transfer also increases with the inclination. The model can be used to predict the viscosity and heat transfer fluid’s behavior in the inclined systems that is widely used in the industrial and engineering applications. The results provide a better understanding of the inclined flow behavior of fluids and the heat transfer at the nanoscale, which can be useful in heat exchanger design, fluid flow through porous media, etc. Greater Infinite shear rate viscosity parameter gives the higher magnitude of Carreau fluid velocity. Moreover, inclined magnetic field reduces the velocity due to Lorentz force. Two numerical schemes are used to solve the model, BVP4C and Shooting.     

Sensitive Amperometric Sensing of Hydrogen Peroxide Using Ag Nanowire Array Electrode

The amperometric sensor based on a silver nanowire (80 nm in diameter Ag NW) array electrode was fabricated and characterized with scanning electron microscope (SEM). The electrode showed good electrocatalytic activity for reduction of hydrogen peroxide. The effects of the applied polarization potential, pH, time interval between successive injections of analyte, injection volume and H₂O₂ concentration in a single injection on the electrochemical performance of the sensor were studied. It was found that the optimized operating conditions for the proposed sensor are: the potential of ?200 mV, pH between 7.4 and 9.0, 60 s time interval, 10 µL injection volume, and 500 µM H₂O₂ in single injection. The proposed Ag NW array sensor is free of interference from ascorbic acid, uric acid and glucose.     

Selective Template Removal by Thermal Depolymerization to Obtain Mesostructured Molybdenum Oxycarbide

The carbon content of mesostructured organic‐inorganic hybrid material of a cylindrical block copolymer template of poly(2‐vinylpyridine)‐block‐poly(allyl methacrylate) (P2VP‐b‐PAMA) and ammonium paramolybdate (APM) could be reduced by thermal depolymerization. By calcination in vacuo at 320 °C the PAMA core can be completely removed while the remaining P2VP brush preserves the mesostructure. The P2VP‐APM composite can then be carburized in‐situ to MoO_xC_y in a second pyrolysis step without any additional carbon source but P2VP. The molybdenum oxycarbide nanotubes obtained, form hierarchically porous non‐woven structures, which were tested as catalyst in the decomposition of NH₃. They proved to be catalytically active at temperatures above 450 °C. The activation energy was estimated from an Arrhenius Plot to be 127 kJ · mol^–1.     

Synthesis of a Novel Double Salt: Ammonium 3,4‐Diamino‐1,2,4‐triazolium Styphnate

Nitrogen‐rich double salt ammonium 3,4‐diamino‐1,2,4‐triazoliumstyphnate (NH₄ · DATr · TNR) ( 2 ) with good thermal stability was successfully synthesized by reacting 3,4‐diamino‐1,2,4‐triazolium chloride aqueous solution with styphnic acid methanol solution under the reaction medium of aqueous ammonia. The title double salt was characterized by elemental analysis (EA), Fourier transformation infrared spectrum (FT‐IR), and X‐ray single‐crystal diffraction. It crystallizes in the monoclinic crystal system with space group P2₁/n. Its density is 1.780 g · cm^–3. Compound 2 is thermal stable below 200 °C by the differential scanning calorimetry (DSC) test. The non‐isothermal kinetics parameters were calculated by the Kissinger's method and Ozawa‐Doyle's method, respectively. In addition, compound 2 showed low friction and impact sensitivities.     

Cu50Ni50合金快速凝固的分子动力学模拟

采用分子动力学模拟的方法研究了Cu₅₀Ni₅₀合金在不同冷却速度下的凝固过程,利用均方位移、径向分布函数和结构可视化等方法分析其微观结构.并对凝固模型进行拉伸模拟,通过应力应变曲线和直观结构变化分析其性能.研究表明：冷却速度对Cu₅₀Ni₅₀合金凝固形成的结构有较大影响,随着冷却速度的升高,凝固形成的结构中晶体含量减少,在较低的冷却速度下,如冷却1×10¹²K/s时,Cu₅₀Ni₅₀合金凝固形成晶体结构;在较高的冷却速度下,如1×10¹⁴K/s时,Cu₅₀Ni₅₀合金凝固形成非晶体结构,且非晶Cu₅₀Ni₅₀合金的抗拉性能要优于晶体Cu₅₀Ni₅₀合金.     

Experimental evidence of energy pumping in acousticsMise en évidence expérimentale de pompage énergétique en acoustique

This Note presents an experimental vibro-acoustic set-up that aims to reproduce the energy pumping phenomenon between an acoustic medium and an essentially nonlinear oscillator. It shows a one-way irreversible transfer of energy between the first acoustic mode in a tube and a thin visco-elastic membrane. To cite this article: B. Cochelin et al., C. R. Mecanique 334 (2006).     

含绿色荧光蛋白发色团双自由基分子的非线性光学性质

采用密度泛函理论(DFT)方法研究了系列含绿色荧光蛋白发色团双自由基分子光学异构体的几何结构、极化率(αs)和第一超极化率(βtot).结果表明,引入电子给受体取代基使分子的极化率增大,而对第一超极化率有不同影响.对于光照前的反式结构,引入电子受体βtot值增加,且βtot值随取代基吸电子能力的增强而增大;引入电子给体βtot值降低,且βtot值随取代基给电子能力的增强而减小.当分子变成相应的顺式结构时,其βtot值变化趋势与反式结构的结果正好相反.光异构化前后分子的βtot值变化不同,引入电子受体使顺式结构的βtot值比反式结构的小,其中―NO2使顺式结构的βtot值减小为反式结构的1/6;引入电子给体使反式结构的βtot值比顺式结构的小,其中―NH2使反式结构的βtot值减小为顺式结构的1/6.从而,光异构化起到调节非线性光学(NLO)响应的作用.     

Quantum simulation of zero-temperature quantum phases and incompressible states of light via non-Markovian reservoir engineering techniques

We review recent theoretical developments on the stabilization of strongly correlated quantum fluids of light in driven-dissipative photonic devices through novel non-Markovian reservoir engineering techniques. This approach allows one to compensate losses and refill selectively the photonic population so as to sustain a desired steady state. It relies in particular on the use of a frequency-dependent incoherent pump, which can be implemented, e.g., via embedded two-level systems maintained at a strong inversion of population. As specific applications of these methods, we discuss the generation of Mott Insulator (MI) and Fractional Quantum Hall (FQH) states of light. As a first step, we present the case of a narrowband emission spectrum and show how this allows for the stabilization of MI and FQH states under the condition that the photonic states are relatively flat in energy. As soon as the photonic bandbwidth becomes comparable to the emission linewidth, important non-equilibrium signatures and entropy generation appear, and a novel dissipative phase transition from a Mott Insulating state toward a superfluid (SF) phase is unveiled. As a second step, we review a more advanced configuration based on reservoirs with a broadband frequency distribution, and we highlight the potential of this configuration for the quantum simulation of equilibrium quantum phases at zero temperature with tunable chemical potential. As a proof of principle, we establish the applicability of our scheme to the Bose–Hubbard model by confirming the presence of a perfect agreement with the ground-state predictions both in the Mott insulating and superfluid regions, and more generally in all parts of the parameter space. Future prospects towards the quantum simulation of more complex configurations are finally outlined, along with a discussion of our scheme as a concrete realization of quantum annealing.