Effect of icosahedral phase formation on the stress corrosion cracking(SCC)behaviors of the as-cast Mg-8%Li(in wt.%)based alloys

Through exploring the stress corrosion cracking(SCC)behaviors of the as-cast Mg-8%Li and Mg-8%Li-6%Zn-1.2%Y alloys in a 0.1 M NaCl solution,it revealed that the SCC susceptibility index(I_(SCC))of the Mg-8%Li alloy was 47%,whilst the I_(SCC)of the Mg-8%Li-6%Zn-1.2%Y alloy was 68%.Surface,cross-sectional and fractography observations indicated that for the Mg-8%Li alloy,theα-Mg/β-Li interfaces acted as the preferential crack initiation sites and propagation paths during the SCC process.With regard to the Mg-8%Li-6%Zn-1.2%Y alloy,the crack initiation sites included the I-phase and the interfaces of I-phase/β-Li andα-Mg/β-Li,and the preferential propagation paths were the I-phase/β-Li andα-Mg/β-Li interfaces.Moreover,the SCC of the two alloys was concerned with hydrogen embrittlement(HE)mechanism.

Numerical simulation of melt flow and temperature field during DC casting 2024 aluminium alloy under different casting conditions

Casting speed,casting temperature and secondary cooling water flow rate are the main process parameters affecting the DC casting process.These parameters significantly influence the flow and temperature fields during casting,which are crucial for the quality of the ingot and can determine the success or failure of the casting operation.Numerical simulation,with the advantages of low cost,rapid execution,and visualized results,is an important method to study and optimize the DC casting process.In the present work,a simulation model of DC casting 2024 aluminum alloy was established,and the reliability of the model was verified.Then,the influence of casting parameters on flow field and temperature field was studied in detail by numerical simulation method.Results show that with the increase of casting speed,the melt flow becomes faster,the depths of slurry zone and mushy zone increase,and the variation of slurry zone depth is greater than that of mushy zone.With an increase in casting temperature,the melt flow rate increases,the depth of the slurry zone becomes shallower,and the depth of the mushy zone experiences only minor changes.The simulation results further indicate that the increase of the flow rate of the secondary cooling water slightly reduces the depths of both slurry and mushy zone.

Targeted design of advanced electrocatalysts by machine learning

Exploring the production and application of clean energy has always been the core of sustainable development.As a clean and sustainable technology,electrocatalysis has been receiving widespread attention.It is crucial to achieve efficient,stable and cheap electrocatalysts.However,the traditional“trial and error”method is time-consuming,laborious and costly.In recent years,with the significant increase in computing power,computations have played an important role in electrocatalyst design.Nevertheless,it is still difficult to search for advanced electrocatalysts in the vast chemical space through traditional density functional theory(DFT)computations.Fortunately,the development of machine learning and interdisciplinary integration will inject new impetus into targeted design of electrocatalysts.Machine learning is able to predict electrochemical performances with an accuracy close to DFT.Here we provide an overview of the application of machine learning in electrocatalyst design,including the prediction of structure,thermodynamic properties and kinetic barriers.We also discuss the potential of explicit solvent model combined with machine learning molecular dynamics in this field.Finally,the favorable circumstances and challenges are outlined for the future development of machine learning in electrocatalysis.The studies on electrochemical processes by machine learning will further realize targeted design of high-efficiency electrocatalysts.

Enabling High-Performance Sodium Battery Anodes by Complete Reduction of Graphene Oxide and Cooperative In-Situ Crystallization of Ultrafine SnO_(2)Nanocrystals

The main bottleneck against industrial utilization of sodium ion batteries(SIBs)is the lack of high-capacity electrodes to rival those of the benchmark lithium ion batteries(LIBs).Here in this work,we have developed an economical method for in situ fabrication of nanocomposites made of crystalline few-layer graphene sheets loaded with ultrafine SnO_(2)nanocrystals,using short exposure of microwave to xerogel of graphene oxide(GO)and tin tetrachloride containing minute catalyzing dispersoids of chemically reduced GO(RGO).The resultant nanocomposites(SnO_(2)@MWG)enabled significantly quickened redox processes as SIB anode,which led to remarkable full anode-specific capacity reaching 538 mAh g^(−1)at 0.05 A g^(−1)(about 1.45 times of the theoretical capacity of graphite for the LIB),in addition to outstanding rate performance over prolonged charge–discharge cycling.Anodes based on the optimized SnO_(2)@MWG delivered stable performance over 2000 cycles even at a high current density of 5 A g^(−1),and capacity retention of over 70.4%was maintained at a high areal loading of 3.4 mg cm^(−2),highly desirable for high energy density SIBs to rival the current benchmark LIBs.

3D Free-Standing Carbon Nanofibers Modified by Lithiophilic Metals Enabling Dendrite-Free Anodes for Li Metal Batteries

Li metal with high-energy density is considered as the most promising anode for the next-generation rechargeable Li metal batteries;however,the growth of Li dendrites seriously hinders its practical application.Herein,3D free-standing carbon nanofibers modified by lithiophilic metal particles(CNF/Me,Me=Sn,Fe,Co)are obtained in situ by the electrospinning method.Benefiting from the lithophilicity,the CNF/Me composite may effectively prevent the formation of Li dendrites in the Li metal batteries.The optimized CNF/Sn–Li composite electrode exhibits a stable cycle life of over 2350 h during Li plating/stripping.When matched with typical commercial LiFePO_(4)(LFP)cathode,the LFP//CNF/Sn–Li full cell presents a high initial discharge specific capacity of 139 mAh g^(−1)at 1 C,which remains at 146 mAh g^(−1)after 400 cycles.When another state-of-the-art commercial LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM(811))cathode is used,the assembled NCM//CNF/Sn–Li full cell shows a large initial specific discharge capacity of 206 mAh g^(−1)at substantially enhanced 10 C,which keeps at the good capacity of 99 mAh g^(−1)after 300 cycles.These results are greatly superior to the counterparts with Li as the anodes,indicating the great potential for practical utilization of the advanced CNF/Sn–Li electrode.

Engineering electrolyte additives for stable zinc-based aqueous batteries:Insights and prospects

Zn-based aqueous batteries(ZABs) are gaining widespread popularity due to their low cost and high safety profile. However, the application of ZABs faces significant challenges, such as dendrite growth and parasitic reactions of metallic Zn anodes. Therefore, achieving high-energy–density ZABs necessitates addressing the fundamental thermodynamics and kinetics of Zn anodes. Various strategies are available to mitigate these challenges, with electrolyte additive engineering emerging as one of the most efficient and promising approaches. Despite considerable research in this field, a comprehensive understanding of the intrinsic mechanisms behind the high performance of electrolyte additives remains limited. This review aims to provide a detailed introduction to functional electrolyte additives and thoroughly explore their underlying mechanisms. Additionally, it discusses potential directions and perspectives in additive engineering for ZABs, offering insights into future development and guidelines for achieving high-performance ZABs.

Effects of deformation twins on microstructure evolution,mechanical properties and corrosion behaviors in magnesium alloys-A review

Due to lattice reorientation,grain segmentation,induced recrystallization,twins play a very important role in regulating texture,refining grains,improving mechanical properties and corrosion resistance,and has received more extensive attention.Numerous studies have shown that{10-12}<10-11>tensile twins(TTWs)are easily activated in large quantities due to the lower critical resolve shear stresses(CRSS).Introduction of TTWs under uniaxial compression improved the strength,ductility,and formability of magnesium(Mg)alloys.Moreover,TTWs produced by multi-directional impact forging(MDIF)can optimize the microstructure by dividing grains and promoting recrystallization,resulting in significant improvement of mechanical properties.Although{10-11}<10-12>compressive twins(CTWs)and{10-11}-{10-12}double twins(DTWs)can promote dynamic recrystallization(DRX),they are also favorable nucleation sites for cracks.In addition,the type and volume fraction of twins can affect the corrosion resistance,and they also play different roles in the corrosion process of different Mg alloys.Twins have shown great potential for improving structure and properties,but a comprehensive and critical discussion of twins in Mg alloys is still lacking.Therefore,based on previous studies,this article reviews the common types and variants of twins in Mg alloys,influencing factors,and their effects on the microstructure,mechanical properties and corrosion resistance.In addition,some interesting ideas are being proposed for further research.

Humidity sensing properties of La^(3+)/Ce^(3+)-doped TiO_2-20 wt.% SnO_2 thin films derived from sol-gel method

The humidity sensing properties of La3+/Ce3+-doped TiO2-20 wt.%SnO2 thin films were studied.Sol-gel method was employed to prepare the films on alumina substrates.By constructing a humidity-impedance measuring system,the sensing behaviors were inspected for the films sintered at different temperatures.Experimental results showed that,0.5 wt.% of La2O3 or Ce2O3 doped films sintered at 500 °C for 2 h had the best humidity sensing properties,the impedance decreasing from 109 ? to below 104 ? in the humidity ra...

Growth characteristics of type IIa large single crystal diamond with Ti/Cu as nitrogen getter in FeNi–C system

High-quality type IIa large diamond crystals are synthesized with Ti/Cu as nitrogen getter doped in an FeNi–C system at temperature ranging from 1230℃to 1380℃and at pressure 5.3–5.9 GPa by temperature gradient method.Different ratios of Ti/Cu are added to the Fe Ni–C system to investigate the best ratio for high-quality type IIa diamond.Then,the different content of nitrogen getter Ti/Cu(Ti:Cu=4:3)is added to this synthesis system to explore the effect on diamond growth.The macro and micro morphologies of synthesized diamonds with Ti/Cu added,whose nitrogen concentration is determined by Fourier transform infrared(FTIR),are analyzed by optical microscopy(OM)and scanning electron microscopy(SEM),respectively.It is found that the inclusions in the obtained crystals are minimal when the Ti/Cu ratio is 4:3.Furthermore,the temperature interval for diamond growth becomes narrower when using Ti as the nitrogen getter.Moreover,the lower edge of the synthesis temperature of type IIa diamond is 25℃higher than that of type Ib diamond.With the increase of the content of Ti/Cu(Ti:Cu=4:3),the color of the synthesized crystals changes from yellow and light yellow to colorless.When the Ti/Cu content is 1.7 wt%,the nitrogen concentration of the crystal is less than 1 ppm.The SEM results show that the synthesized crystals are mainly composed by(111)and(100)surfaces,including(311)surface,when the nitrogen getter is added into the synthesis system.At the same time,there are triangular pits and dendritic growth stripes on the crystal surface.This work will contribute to the further research and development of high-quality type IIa diamond.

High efficient catalytic oxidation of 5-hydroxymethylfurfural into 2,5-furandicarboxylic acid under benign conditions with nitrogen-doped graphene encapsulated Cu nanoparticles

Selective oxidation of 5-hydroxymethylfurfual(HMF) to 2,5-furandicarboxylic acid(FDCA) as a bioplastics monomer is efficiently promoted by a simple system without noble-metal and base additives. In this work, graphene oxide(GO) was first synthesised by an electrochemical method with flexible graphite paper(FGP) as start carbon material, then, nitrogen-doped graphene(NG) layers encapsulated Cu nanoparticles(NPs) was prepared by one-step thermal treatment of GO supported Cu2+ in flowing NH3 atmosphere. Compared with NG supported Cu NPs prepared by the traditional impregnation method, enhanced catalytic activity was achieved over Cu/NG and an FDCA yield of 95.2% was achieved under mild reaction conditions with tert-butylhydroperoxide(t-BuOOH) as the oxidant. Control experiments with different catalysts and different addition procedure of t-BuOOH showed the yield of HMF and various intermediates during reaction. From the changing of intermediates concentrations and reaction rates, a reaction pathway through HMF-DFF-FFCA-FDCA was proposed. This work gives a more convenient, more green,more economical and effective method in encapsulated metal NPs preparation and high selectivity in HMF oxidation to FDCA under mild conditions.

N‐doped porous carbon nanofibers inlaid with hollow Co_(3)O_(4) nanoparticles as an efficient bifunctional catalyst for rechargeable Li‐O_(2) batteries

Stable and high‐efficiency bifunctional catalysts for the oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)are desired for the practical application of Li‐O_(2)batteries with excellent rate performance and cycle stability.Herein,a novel hybrid bifunctional catalyst with carbon nanofibers inlaid with hollow Co_(3)O_(4)nanoparticles and separate active sites for ORR and OER were prepared and applied in Li‐O_(2)batteries.Benefiting from the synergistic effect of unique porous structural features and high electrocatalytic activity of hollow Co3O4 intimately bound to N‐doped carbon nanofibers,the assembled Li‐O_(2)batteries with novel catalyst exhibited high specific capacity,excellent rate capability,and cycle stability up to 150 cycles under a capacity limitation of 500 mAh g^(–1)at a current density of 100 mA g^(–1).The facile synthesis and preliminary results in this work show the as‐prepared catalyst as a promising bifunctional electrocatalyst for applications in metal‐air batteries,fuel cells,and electrocatalysis.

High color rendering index white organic light-emitting diode using levofloxacin as blue emitter

Levofloxacin （LOFX）, which is well-known as an antibiotic medicament, was shown to be useful as a 452-nm blue emitter for white organic light-emitting diodes （OLEDs）. In this paper, the fabricated white OLED contains a 452-nm blue emitting layer （thickness of 30 nm） with 1 wt% LOFX doped in CBP （4,4＇-bis（carbazol-9-yl）biphenyl） host and a 584-nm orange emitting layer （thickness of 10 nm） with 0.8 wt% DCJTB （4-（dicyanomethylene）-2-tert-butyl-6-（1,1,7,7- tetramethyljulolidin-4-yl-vinyl）-4H-pyran） doped in CBE which are separated by a 20-nm-thick buffer layer of TPBi （2,2＇,2＂-（benzene-1,3,5-triyl）-tri（1-phenyl-lH-benzimidazole）. A high color rendering index （CRI） of 84.5 and CIE chromaticity coordinates of （0.33, 0.32）, which is close to ideal white emission CIE （0.333, 0.333）, are obtained at a bias voltage of 14 V. Taking into account that LOFX is less expensive and the synthesis and purification technologies of LOFX are mature, these results indicate that blue fluorescence emitting LOFX is useful for applications to white OLEDs although the maximum current efficiency and luminance are not high. The present paper is expected to become a milestone to using medical drug materials for OLEDs.

Unraveling Passivation Mechanism of Imidazolium-Based Ionic Liquids on Inorganic Perovskite to Achieve Near-Record-Efficiency CsPbI_(2)Br Solar Cells

The application of ionic liquids in perovskite has attracted wide-spread attention for its astounding performance improvement of perovskite solar cells(PSCs).However,the detailed mechanisms behind the improvement remain mysterious.Herein,a series of imidazolium-based ionic liquids(IILs)with different cations and anions is systematically investigated to elucidate the passivation mechanism of IILs on inorganic perovskites.It is found that IILs display the following advantages:(1)They form ionic bonds with Cs^(+)and Pb^(2+)cations on the surface and at the grain boundaries of perovskite films,which could effectively heal/reduce the Cs^(+)/I−vacancies and Pb-related defects;(2)They serve as a bridge between the perovskite and the hole-transport-layer for effective charge extraction and transfer;and(3)They increase the hydrophobicity of the perovskite surface to further improve the stability of the CsPbI_(2)Br PSCs.The combination of the above effects results in suppressed non-radiative recombination loss in CsPbI_(2)Br PSCs and an impressive power conversion efficiency of 17.02%.Additionally,the CsPbI_(2)Br PSCs with IILs surface modification exhibited improved ambient and light illumination stability.Our results provide guidance for an indepth understanding of the passivation mechanism of IILs in inorganic perovskites.

Defective/Doped Graphene-Based Materials as Cathodes for Metal-Air Batteries

Graphene,as a proof-of-concept two-dimensional material,has proven to have excellent physical and chemical properties.Its derivatives,such as defective or doped graphene,are also applied as catalytic materials for metal-air batteries(MABs).MABs have been recognized as possible candidates for new-generation energy storage systems due to their ultra-high theoretical energy density.So far,graphene and its derivatives with optimized structures have been widely explored to improve the electrochemical performance in MABs.Generally speaking,perfect graphene crystalline is inert for many catalytic processes,while defects and heteroatoms can endow graphene with high activity for many electrocatalytic reactions.Under this circumstance,recent progress is summarized for defective/doped graphene as air cathodes in aqueous or organic MABs,which are actually different electrochemical systems with distinct requirements for air cathodes.Also,the relationship is clarified between graphene defects/doping and electrocatalytic mechanisms that can be the guidance for catalyst design.Future directions are also prospected for the development of graphene-based MAB cathodes.

Controllable fabrication and structure evolution of hierarchical 1T-MoS_(2) nanospheres for efficient hydrogen evolution

The layered materials have demonstrated great prospects as cost-effective substitutes for precious electrocatalysts in hydrogen evolution reaction.Research efforts have been devoted to synthesizing highly conductive MoS_(2) with the substantial cardinal plane and edge active sites.Here,we successfully synthesized a hierarchical 1T/2H–MoS_(2) with sodium ion insertion via a facile hydrothermal method.The contents of the 1T-phase can be flexibly controlled by different hydrothermal temperatures(160 ~ 200°C).And the modified uniformly dispersed 1T/2H–MoS_(2) nanospheres with different d spacings were designed to enhance the electrocatalytic efficiency by adding SiO_(2) and through the ion exchange process of Na OH and HF solution.The as-synthesized Na+intercalated 1T-MoS_(2) nanosphere with an expanded interlayer of 0.95 nm obtained at 160°C exhibits a prominent electrocatalytic performance of hydrogen evolution reaction with a comparable overpotential of 255 m V and a remarkably small Tafel slope of 44 m V/decade.Therefore,this study provides a facile and controllable strategy to yield interlayerexpanded 1T-MoS_(2) nanospheres,making it a potentially competitive hydrogen evolution catalyst for the hydrogen cell.

Physicochemical Properties Comparative Analysis of Corn Starch and Cassava Starch, and Comparative Analysis as Adhesive

The morphology and properties of corn starch and cassava starch were compared by SEM, DSC and TGA. Theeffects of amylose and amylopectin content on starch properties were studied by FT-IR, XRD and XPS. The plywood was pressed with the prepared adhesive and the bonding strength of the plywood was tested to analyze thedifference among the adhesives from different plant sources and the difference after blending PAPI prepolymer.FT-IR results showed that the hydroxyl peak of cassava starch was stronger and wider. TGA showed that the residue of cassava starch was lower, but the thermal stability of cassava starch was almost the same. XPS data showedthat the oxygen content of cassava starch was slightly higher, but the carbon content was slightly lower. SEM analysis showed that corn starch granules were more irregular and sharper than cassava starch, and cassava starchgranules were more uniform, regular and round.

Effects of Processing Technologies on Mechanical Properties of SiC Particulate Reinforced Magnesium Matrix Composites

Mg matrix composites with SiC particles ranging from 5vol%-25vol% were prepared using stirring casting method. Die casting, squeezing casting, and extrusion were applied for inhibiting or eliminating the defects such as gas porosity and shrinkage void. Through die casting and squeezing casting, most of the defects in Mg matrix composites could be eliminated, but the mechanical properties were improved limitedly. On the other hand, after hot extrusion, not only most of the defects of as-cast composites ingots were eliminated, but also the mechanical properties were improved markedly. With the addition of SiC, the tensile strength, yield strength and elastic modulus of as extrusion SiCp/AZ61 composites increased remarkably, and the elongation decreased obviously.

LOW TEMPERATURE THERMODYNAMIC STUDY OF THE STABLE AND METASTABLE PHASES OF SILVER

The low temperature thermodynamics of the stable phase of silver was assessed by the polynomial model and Debye model from the experimental data available in the literature. By means of the constrained non-linear least squares curve fitting arithmetic, two sets of parameter values were determined. The expression of the thermodynamic functions cp（T） and G（T）-H （298.15K） at 0-298.15K were presented. Only the low temperature thermodynamics of the metastable phase of silver can be extrapolated by the Debye model The expression of the thermodynamic functions cp（T） at 0- 298.15K was presented.

Improved light extraction of organic light emitting diodes with a nanopillar pattering structure

We have investigated the properties of organic light emitting diodes （OLEDs） with a nanopillar patterning structure at organic-metal or organic-organic interfaces. The results demonstrate that the introduction of a nanopillar structure can improve the light extraction efficiency greatly. We also find that the number, height, and position of nanopillars all affect the light extraction of OLEDs. The maximum power efficiency of a device with an optimized nanopillar patterning mode can be improved to 2.47 times that of the reference device. This enhancement in light extraction originates from the improved injected carriers, the broadened charge recombination zone, and the intensified wave guiding effects.

CN bond orientation in metal carbonitride endofullerenes：A density functional theory study

The geometric and electronic structures of scandium carbonitride endofullerene Sc3CN@C2n （2n=68, 78, 80, 82, and 84） and Sc（Y）NC@C76 have been systematically investigated to identify the preferred position of internal C and N atoms by density functional theory （DFT） calculations combined with statistical mechanics treatments. The CN bond orientation can generally be inferred from the molecule stability and electronic configuration. It is found that Sc3CN@C2n molecules have the most stable structure with C atom locating at the center of Sc3CN cluster. The CN bond has trivalent form of[CN]3- and connects with adjacent three Sc atoms tightly. However, in Sc（Y）NC@C76 with[NC]-, the N atom always resides in the center of the whole molecule. In addition, the stability of Sc3CN@C2n has been further compared in terms of the organization of the corresponding molecular energy level. The structural differences between Sc3CN@C2n and Sc3NC@C2n are highlighted by their respected infrared spectra.