First-Principles Insights into Pt_(n)/ZnO(0001)Catalyst:Regulation of Metal-Support Interaction through Surface Polarity

Polar surfaces are prevalent in metal oxides,the interactions between surface species with polar surfaces are different from those with non-polar surfaces,a thorough understanding of the interactions is key to regulate the performance of heterogeneous catalysts.In this work,we delve into the interaction of Pt_(n)(n=1-4)with polar ZnO(0001)-Zn and ZnO(0001)-O,and the influence of the surface polarity on the electronic structures and reactivity of Pt_(n) by using density functional theory calculations.The results suggest distinct differences in electronic structures of two exposed terminations,leading to different interactions with Pt_(n).The interaction between Pt_(n) and two terminations not only stabilizes the surface and clusters through polar compensation,but also induces opposite charges on the cluster at two terminations.Remarkably,the Pearson correlation coefficient reveals the interdependency between the electronic states of Pt_(n) and its performance in terms of small molecule adsorption/activation.These observations demonstrate the crucial role of surface polarity in regulating the electronic states and catalytic performance of active sites,and offer a possible design principle for supported catalysts.

Research progress on carbon-based zinc-ion capacitors

Zinc-ion capacitors(ZICs),which consist of a capacitor-type electrode and a battery-type electrode,not only possess the high power density of supercapacitors and the high energy density of batteries,but also have other advantages such as abundant resources,high safety and environmental friendliness.However,they still face problems such as insufficient specific capacitance,a short cycling life,and narrow operating voltage and temperature ranges,which are hindering their practical use.We provide a comprehensive overview of the fundamental theory of carbon-based ZICs and summarize recent research progress from three perspectives:the carbon cathode,electrolyte and zinc anode.The influence of the structure and surface chemical properties of the carbon materials on the capacitive performance of ZICs is considered together with theoretical guidance for advancing their development and practical use.

Laser-assisted water jet machining of high quality micro-trap structures on stainless steel surfaces

Secondary electron emission(SEE)has emerged as a critical issue in next-generation accelerators.Mitigating SEE on metal surfaces is crucial for enhancing the stability and emittance of particle accelerators while extending their lifespan.This paper explores the application of laser-assisted water jet technology in constructing high-quality micro-trap structures on 316L stainless steel,a key material in accelerator manufacturing.The study systematically analyzes the impact of various parameters such as laser repetition frequency,pulse duration,average power,water jet pressure,repeat times,nozzle offset,focal position,offset distance between grooves,and processing speed on the surface morphology of stainless steel.The findings reveal that micro-groove depth increases with higher laser power but decreases with increasing water jet pressure and processing speed.Interestingly,repeat times have minimal effect on depth.On the other hand,micro-groove width increases with higher laser power and repeat times but decreases with processing speed.By optimizing these parameters,the researchers achieved high-quality pound sign-shaped trap structure with consistent dimensions.We tested the secondary electron emission coefficient of the"well"structure.The coefficient is reduced by 0.5 at most compared to before processing,effectively suppressing secondary electron emission.These results offer indispensable insights for the fabrication of micro-trap structures on material surfaces.Laser-assisted water jet technology demonstrates considerable potential in mitigating SEE on metal surfaces.

Recent development of LiNi_xCo_yMn_zO_2:Impact of micro/nano structures for imparting improvements in lithium batteries

The recent advancement in the design,synthesis,and fabrication of micro/nano structured LiNixCoyMnzO2 with one-,two-,and three-dimensional morphologies was reviewed.The major goal is to highlight LiNixCoyMnzO2 materials,which have been utilized in lithium ion batteries with enhanced energy and power density,high energy efficiency,superior rate capability and excellent cycling stability resulting from the doping,surface coating,nanocomposites and nano-architecturing.

Chemical etching process of copper electrode for bioelectrical impedance technology

In order to obtain bioelectrical impedance electrodes with high stability, the chemical etching process was used to fabricate the copper electrode with a series of surface microstructures. By changing the etching processing parameters, some comparison experiments were performed to reveal the influence of etching time, etching temperature, etching liquid concentration, and sample sizes on the etching rate and surface microstructures of copper electrode. The result shows that the etching rate is decreased with increasing etching time, and is increased with increasing etching temperature. Moreover, it is found that the sample size has little influence on the etching rate. After choosing the reasonable etching liquid composition （formulation 3）, the copper electrode with many surface microstructures can be obtained by chemical etching process at room temperature for 20 rain. In addition, using the alternating current impedance test of electrode-electrode for 24 h, the copper electrode with a series of surface microstructures fabricated by the etching process presents a more stable impedance value compared with the electrocardiograph （ECG） electrode, resulting from the reliable surface contact of copper electrode-electrode.

上位机设计技术剖析

上位机的主要功能就是为用户提供较好的人机界面,将电表中的数据进行处理、生成测量曲线,并且以报表的形式进行呈现。本文对上位机的基本原理进行了初步介绍。并分别从上位机功能实现的以下几个方面剖析了上位机设计的相关内容:电表结构设计、用户配置界面设计、备份数据的处理设计以及软件校表的设计。

Obsevation for Epidermal Ultrastructure of Nostoc sphaeroides Kutzing under Scanning Electron Microscope

[Objective]The experiment aimed to explore a new way for observing surface structure of Nostoc sphaeroides Kutzing. [Method] The scanning electron microscope was used to observe the epidermal ultrastructure of wild and cultured Nostoc sphaeroides Kutzing. [ Result] The epidermis of wild and cultured Nostoc sphaeroides Kutzing showed mixture structure of fibril colloid which was reticular arranged. The difference between wild and cultured Nostoc sphaeroides Kutzing was that the outer epidermis of cultured Nostoc sphaeroides Kutzing had trichome distribution but the wild Nostoc sphaeroides Kutzing did not has such distribution. The obsevation results of under smaller than 10 μm by scanning electron microscope was touched thick and showed many folds and distortions. [ Conclusion] The scanning electron microscope was an effective way to study development of Nostoc sphaeroides Kutzing colony and it was worth popularizing.

A new electromagnetic functional material composed of metallic hollow micro-spheres

This paper presents a new electromagnetic functional material developed byelectron-less nickel deposition technique, with a single hollow micro-sphere as the core templateand a thin nickel layer as the shell. The micrograph taken by a scanning electron microscope showsthe microstructures of the materials in detail. Scattering parameters of the waveguide sample holderfilled with the materials have been obtained over X band. The electromagnetic parameters computedfrom the measured S parameters show that the material with metallic hollow spheres has as highrelative permeability μ'_r as 19.0 with about 0.6 magnetic loss tangent over the whole bandwidth.Compared to the material with non-metallic spheres, the permeability μ'_r and the magnetic losstangent μ'_r increase greatly, while the permittivity remains lower than 1.8.

Controllable Electrochemical Synthesis of Silver Dendritic Nanostructures and Their SERS Properties

Ag dendritic nanostructures were synthesized on fluorine-doped tin oxide covered glass sub- strates by the electrodeposition method. Results demonstrate that the size, diameter, crys- tallinity, and branch density of the Ag dendrites can be controlled by the applied potential, the surfactants and the concentration of AgNO3. Three kinds of typical silver dendrites were applied as substrates of the surface enhanced Raman scattering （SERS） and one of them was able to clearly detect rhodamine 6G concentrations up to 0.1 nmol/L. The differences of the SERS spectra at these Ag dendrites confirmed that the shapes and interparticle spacings have great effect on Raman enhancement, especially the interparticle spacings.

基于初高中衔接教学的物理课程设计——以“电表专题模块”为例

以“电表专题模块”为例,介绍基于初高中衔接教学的物理课程设计,拓展学生对简单电路的理解,提升学生对复杂电路的分析能力,以期改善初高中物理衔接教学的难度梯度。

Preparation, characterization and catalytic performance of single-atom catalysts

Supported and colloidal single‐atom catalysts(SACs),which possess excellent catalytic properties,are particularly important in both fundamental studies and practical applications.The progress made in the preparation methods,characterization,catalytic performances and mechanisms of SACs anchored to metal oxides,two‐dimensional materials and the surface of metal nanoclusters(NCs)are reviewed.The different techniques for SAC fabrication,including conventional solution methods based on co‐precipitation,incipient wetness co‐impregnation,and the chemical vapor deposition method,as well as the newer atom layer deposition(ALD)and galvanic replacement methods,are summarized.The main results from experimental and theoretical studies of various catalytic reactions over SACs,including oxidation reactions,hydrogenation,water gas shift,photocatalytic H2evolution and electrochemical reactions,are also discussed.Moreover,the electronic properties of the single atoms and their interactions with the supports are described to assist in understanding the origin of the high catalytic activity and selectivity of SACs.Finally,possible future research directions of SACs and their applications are proposed.

First-principles study of TiC(110) surface

The structural and electronic properties of TiC（110） surfaces are calculated using the first-principles total-energy plane-wave pseudopotential method based on density functional theory. The calculated results of structural relaxation and surface energy for TiC（110） slab indicate that slab with 7 layers shows bulk-like characteristic interiors, and the changes of slab occur on the outmost three layers, which shows that the relaxation only influences the top three layers. Meanwhile, the strong Ti—C covalent bonding can be found in the distribution of charge density on the （100） plane. The interlayer Ti—C chemical bonds are reinforced and the outermost interlayer distance is reduced as a result of the charge depletion in the vacuum and the charge accumulations in the interlayer region between the first and second layers. The surface energy of TiC（110） is calculated to be 3.53 J/m2.

DFT calculation on relaxation and electronic structure of sulfide minerals surfaces in presence of H_2O molecule

First-principles calculations are performed to investigate the relaxation and electronic properties of sulfide minerals surfaces(MoS2, Sb2S3, Cu2 S, ZnS, PbS and FeS2) in presence of H2 O molecule. The calculated results show that the structure and electronic properties of sulfide minerals surfaces have been influenced in presence of H2 O molecule. The adsorption of the flotation reagent at the interface of mineral-water would be different from that of mineral surface due to the changes of surface structures and electronic properties caused by H2 O molecule. Hence, the influence of H2 O molecule on the reaction of flotation reagent with sulfide mineral surface will attract more attention.

Restructuring of well-defined Pt-based electrode surfaces under mild electrochemical conditions

Since the 1980s,single-crystal Pt electrodes with well-defined surface structures have been deemed stable under mild electrochemical conditions(e.g.,in the potential region of electric double layers,underpotential deposition of hydrogen,or mild hydrogen evolution/OH adsorption)and have served as model electrodes for unraveling the structure-performance relation in electrocatalysis.With the advancement of in situ electrochemical microscopy/spectroscopy techniques,subtle surface restructuring under mild electrochemical conditions has been achieved in the last decade.Surface restructuring can considerably modify electrocatalytic properties by generating/destroying highly active sites,thereby interfering with the deduction of the structure-performance relation.In this review,we summarize recent progress in the restructuring of well-defined Pt(-based)electrode surfaces under mild electrochemical conditions.The importance of the meticulous structural characterization of Pt electrodes before,during,and after electrochemical measurements is demonstrated using CO adsorption/oxidation,hydrogen adsorption/evolution,and oxygen reduction as examples.The implications of present findings for correctly identifying the reaction mechanisms and kinetics of other electrocatalytic systems are also briefly discussed.

CFD Simulation of Film Flow and Gas/Liquid Countercurrent Flow on Structured Packing

A mathematic model of two-phase flow and a physical model of two-dimensional (2D) vertical section for the plate-type structured packing Mellapak 250.Y were set up and verified. The models were used to study the influence of packing’s surface microstructure on the continuity of liquid film and the amount of liquid holdup. Simulation results show that the round corner shape and micro wavy structure are favorable in remaining the continuity of liquid film and increasing the amount of liquid holdup. The appropriate liquid flow rate was determined by investigating different liquid loadings to obtain an unbroken liquid film on the packing surface. The pressure difference between inlet and outlet for gas phase allowed gas and liquid to flow countercurrently in a 2D computational domain. The direction change of gas flow occurred near the phase interface area.

Fifth-Nearest-Neighbor Tight-Binding Description of Electronic Structure of Graphene

An analytic expression for π and π＊ electronic structure of graphene is derived within the tight-binding approximation. Including up to fifth-nearest neighbors, the tight-binding description of electronic dispersion quite accurately reproduces the first-principle calculation result over the entire Brillouin zone. The maximal deviation of the fifth-nearest tight-binding result from the first-principle result is only 6 meV for π band, and 25 meV for π＊ band. This 25 meV deviation is only one-tenth of the maximal deviation of the third-nearest tight-binding result. It is more important that the fitted parameters exponentially approach to zero as the distance between interacting atoms increases.

Density Functional Theory Study on Spin States of LaCoO3 at Room Temperature

The electronic structure of the perovskite LaCoO3 at room temperature structure （293 K） was calculated by using PBE, PBE＋U and HSE. Different spin configurations have been considered. Our calculations showed that the choice of the Hubbard U parameter in DFT＋U and mixing factor α in HSE significantly influenced the band gap as well as relative energies. For the spin exited states, the optimal value for U and α were 3.0 eV and 0.05, respectively. Our calculation also emphasized that when U〉5.0 eV, PBE＋U would lead to unreasonable electronic structure and energy order.

Fabrication of Titanate Barium Films by Electrophoretic Deposition Technique

EPD （electrophoretic deposition） technique has been shown as an effective method to produce thin ore thick layers at voltage 5-100 V onto Ni conductive substrate. The aim of this study is to use the EPD method to fabricate films from suspensions BaTiO3. The effects of the EPD process parameters such as the suspension concentration, deposition time, electrical field strength on the specific EPD deposited weight, morphology particles were used. The surface microstructures of the as-deposited films were investigated by SEM （scanning electron microscopy）. A homogeneous microstructure was obtained at applied electric field of 100 V and I min of deposition time at an electrode distance of 1.0 cm.

Surface assembly of cobalt species for simultaneous acceleration of interfacial charge separation and catalytic reactions on Cd_(0.9)Zn_(0.1)S photocatalyst

Although photocatalytic water splitting has excellent potential for converting solar energy into chemical energy,the challenging charge separation process and sluggish surface catalytic reactions significantly limit progress in solar energy conversion using semiconductor photocatalysts.Herein,we demonstrate a feasible strategy involving the surface assembly of cobalt oxide species(CoO_(x))on a visible-light-responsive Cd_(0.9)Zn_(0.1)S(CZS)photocatalyst to fabricate a hierarchical CZS@CoO_(x) heterostructure.The unique hierarchical structure effectively accelerates the directional transfer of photogenerated charges,reducing charge recombination through the smooth interfacial heterojunction between CZS and CoO_(x),as evidenced by photoluminescence(PL)spectroscopy and various electrochemical characterizations.The surface cobalt species on the CZS material also act as efficient cocatalysts for photocatalytic hydrogen production,with activity even higher than that of noble metals.The well-defined CZS@CoO_(x) heterostructure not only enhances the interfacial separation of photoinduced charges,but also improves surface catalytic reactions.This leads to superior photocatalytic performances,with an apparent quantum efficiency of 20%at 420 nm for visible-light-driven hydrogen generation,which is one of the highest quantum efficiencies measured among noble-metal-free photocatalysts.Our work presents a potential pathway for controlling complex charge separation and catalytic reaction processes in photocatalysis,guiding the practical development of artificial photocatalysts for successful transformation of solar to chemical energy.

Study on Technology and Properties of Brush Plating Coatings

A new brush plating process with a soluble anode of nickel was introduced. TDY112 brush plating solution was used on the No.20 carbon steel substrate. It has the higher deposit velocity, better properties and lower cost. Scanning electronic microscopy(SEM), optical microscope, microhardness test and wear test were adopted to detect the surface quality and the properties of the coating, such as micrograph, microstructure, micro-hardness wear resistance and adherence between the coating and the substrate. The experimental results showed that the suitable technological parameters to be used, the coatings had better the surface quality, higher hardness and wear resistance.