Carbon-based single atom catalyst: Synthesis,characterization, DFT calculations

Carbon-based single-atom catalysts(SACs) with atomic sizes of active sites have become the promising candidates for a variety of catalytic systems because of their high atom utilization, and unique electronic structures. Different types of single-atom sites can be fabricated via multiple preparation strategies, which would demonstrate distinct different coordination configurations and electronic features, and ultimately affected the structure-catalysis relationship of SACs in targeted reactions....     

Investigation of carbon-supported Ni@Ag core-shell nanoparticles as electrocatalyst for electrooxidation of sodium borohydride

Carbon-supported Ni@Ag core-shell nanoparticles were synthesized and used as the anode electrocatalyst for direct borohydride-hydrogen peroxide fuel cell (DBHFC). The morphology, structure, and composition of the as-prepared electrocatalysts are characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD), and energy dispersive spectroscopy (EDS). Electrochemical characterizations are performed by cyclic voltammetry (CV), chronoamperometry (CA), linear scan voltammetry with rotating disk electrode (LSV RDE), and fuel cell test. The catalytic behaviors and main kinetic parameters (e.g., Tafel slope, number of electrons exchanged, exchange current density, and apparent activation energy) toward BH ₄ ^‐ oxidation on Ag/C and Ni@Ag/C electrocatalysts are determined. Results show that the as-prepared nanoparticles have a core-shell structure with the average size approximately 13 nm. The kinetics of NaBH₄ oxidation is faster for Ni@Ag/C than that for Ag/C. Among the as-prepared catalysts, the highest transition electron value and the lowest apparent activation energy are obtained on Ni₁@Ag₁/C; the values are 4.8 and 20.23 kJ mol^?1, respectively. The DBHFC using Ni₁@Ag₁/C as anode electrocatalyst and Pt mesh (1 cm²) as cathode electrode obtains the maximum anodic power density as high as 8.54 mW cm^?2 at a discharge current density of 8.42 mA cm^?2 at 25 °C.     

Visualization of Vibrational Modes in Real Space by Tip‐Enhanced Non‐Resonant Raman Spectroscopy

We present a general theory to model the spatially resolved non‐resonant Raman images of molecules. It is predicted that the vibrational motions of different Raman modes can be fully visualized in real space by tip‐enhanced non‐resonant Raman scattering. As an example, the non‐resonant Raman images of water clusters were simulated by combining the new theory and first‐principles calculations. Each individual normal mode gives rise its own distinct Raman image, which resembles the expected vibrational motions of the atoms very well. The characteristics of intermolecular vibrations in supermolecules could also be identified. The effects of the spatial distribution of the plasmon as well as nonlinear scattering processes were also addressed. Our study not only suggests a feasible approach to spatially visualize vibrational modes, but also provides new insights in the field of nonlinear plasmonic spectroscopy.     

Thermotolerant and fireproof gel polymer electrolyte toward high-performance and safe lithium-ion battery

Poly(ethylene oxide)(PEO)and its derivatives based gel polymer electrolytes(GPEs)are severely limited in advanced and safe lithium-ion batteries(LIBs)owing to the intrinsically high flammability of liquid electrolytes and PEO.Directly adding flame retardants to the GPEs can suppress their flammability and thus improve the safety of LIBs,but results in deteriorative electrochemical performance.Herein,a novel GPE with chemically bonded flame retardant(i.e.diethyl vinylphosphonate)in cross-linked polyethylene glycol diacrylate matrix,featuring both high-safety and high-performance,is designed.This as-prepared GPE storing the commercial 1 mol L^-1 LiPF6 electrolyte resists high temperature of 200℃and cannot be ignited as well as possesses a high ionic conductivity(0.60 m S cm^-1)and good compatibility with lithium.Notably,the LiFePO₄/Li battery with this GPE delivers a satisfactory capacity of 142.2 m A h g^-1 and a superior cycling performance with a capacity retention of 96.3%and a coulombic efficiency of close to 100%for 350 cycles at 0.2 C under ambient temperature.Furthermore,the battery can achieve steady charge–discharge for 100 cycles with a coulombic efficiency of 99.5%at 1 C under 80℃and run normally even at a high temperature of 150℃or under the exposure to butane flame.Differential scanning calorimetry manifests significantly improved battery safety compared to commercial battery systems.This work provides a new pathway for developing next-generation advanced LIBs with enhanced performance and high safety.     

探究性教学情景下的大学物理课堂评估策略

为了评估大学物理探究性教学情景下的学生综合素质,本文作者研究课堂评估法在探究性课题教学过程中各阶段的实施策略,并进行相应教学实验,得出针对大学物理探究性教学情景下的课堂评估实施原则、方式、标准.实践表明课堂评估法与探究性教学实现了有机融合,促进了学生综合素质的提高,是一种行之有效的评估学生综合素质的教学评价方法.     

Cerium oxide nanoparticles protect primary mouse bone marrow stromal cells from apoptosis induced by oxidative stress

The sintering of a silver (Ag) nanoparticle film by laser beam irradiation was studied using a CW DPSS laser. The laser sintering of the Ag nanoparticle thin film gave a transparent conductive film with a thickness of ca. 10 nm, whereas a thin film sintered by conventional heat treatment using an electronic furnace was an insulator because of the formation of isolated silver grains during the slow heating process. The laser sintering of the Ag nanoparticle thin film gave a unique conductive network structure due to the rapid heating and quenching process caused by laser beam scanning. The influences of the laser sintering conditions such as laser scan speed on the conductivity and the transparency were studied. With the increase of scan speed from 0.50 to 5.00 mm/s, the surface resistivity remarkably decreased from 4.45 × 10⁸ to 6.30 Ω/sq. The addition of copper (Cu) nanoparticles to silver thin film was also studied to improve the homogeneity of the film and the conductivity due to the interaction between the oxidized surface of Cu nanoparticle and a glass substrate. By adding 5 wt% Cu nanoparticles to the Ag thin film, the surface resistivity improved to 2.40 Ω/sq.     

Finite element method for viscoelastic medium with damage and the application to structural analysis of solid rocket motor grain

This paper studies the damage-viscoelastic behavior of composite solid propellants of solid rocket motors(SRM).Based on viscoelastic theories and strain equivalent hypothesis in damage mechanics,a three-dimensional(3-D)nonlinear viscoelastic constitutive model incorporating with damage is developed.The resulting viscoelastic constitutive equations are numerically discretized by integration algorithm,and a stress-updating method is presented by solving nonlinear equations according to the Newton-Raphson method.A material subroutine of stress-updating is made up and embedded into commercial code of Abaqus.The material subroutine is validated through typical examples.Our results indicate that the finite element results are in good agreement with the analytical ones and have high accuracy,and the suggested method and designed subroutine are efficient and can be further applied to damage-coupling structural analysis of practical SRM grain.     

ChemInform Abstract: Electronic Structure,Elastic Anisotropy,Thermal Conductivity and Optical Properties of Calcium Apatite Ca5(PO4)3X (X: F,Cl or Br).

The structural properties, phase stability, electronic structure, elastic properties, and optical properties of Ca₅(PO₃)₄F (FA), Ca₅(PO₃)₄Cl (ClA) and Ca₅(PO₃)₄Br (BrA) are studied by DFT calculations with the generalized gradient approximation.     

Thermo-Associative and Salt-Associative Graft Copolymers of Surfactant Macromonomers and Acrylamide: Synthesis and Solution Properties in Dilute Aqueous Solutions

Three new surfactant macromonomers (SMM) with different ethylene oxide (EO)/propylene oxide (PO) ratios (for SMM1, SMM2, and SMM3, the EO/PO ratios were 1:0.5, 1:0.9, and 1:1.25, respectively) were synthesized by the reaction between PEO-PPO di-block polymers having terminal tertiary amine groups and chloropropene. Graft copolymers of acrylamide and SMM (PAM-g-SMM) were prepared with different SMMs and grafting densities in water, and the products were confirmed by FTIR and elemental analysis. Owing to the strong hydrophobicity of the graft, the PAM-g-SMM3 was not water soluble. However, PAM-g-SMM1 and PAM-g-SMM2 aqueous solutions had good surface activity and their surface tensions were 44.26 and 37.63 mN/m at a concentration of 1000 mg/L, respectively. In general, in diluted graft PAM solutions, the copolymer predominantly formed intrapolymeric associates. The PAM-g-SMM2 was both thermo-associative and salt-associative in dilute solution. For PAM-g-SMM2, when the temperature and salt concentration increased, interpolymeric aggregations were formed.     

Pose estimation for UAV aerial refueling with serious turbulences based on extended Kalman filter

In recent years, many pose estimation algorithms were developed, and have been successfully applied to solve unmanned aerial vehicle (UAV) aerial refueling pose estimation problems. This paper mainly focuses on solving this problem under serious turbulences circumstance. The extended Kalman filter is a set of mathematical equations to estimate the state of a process, which is able to support estimations of past, present, and even future states. In reference to previous papers and some simulations, we build up the noise models of refueling boom and atmospheric turbulence. Then, an extend Kalman filter is adopted to solve the pose estimation problem in UAV aerial refueling with serious turbulences. The experimental results demonstrate the feasibility and effectiveness of our proposed approach.