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.

Stable Cycling of All-Solid-State Lithium Batteries Enabled by Cyano-Molecular Diamond Improved Polymer Electrolytes

The interfacial instability of the poly(ethylene oxide)(PEO)-based electrolytes impedes the long-term cycling and further application of all-solid-state lithium metal batter-ies.In this work,we have shown an effective additive 1-adaman-tanecarbonitrile,which con-tributes to the excellent per-formance of the poly(ethylene oxide)-based electrolytes.Owing to the strong interaction of the 1-Adamantanecarboni-trile to the polymer matrix and anions,the coordination of the Li^(+)-EO is weakened,and the binding effect of anions is strengthened,thereby improving the Li^(+)conductivity and the electrochemical stability.The diamond building block on the surface of the lithium anode can sup-press the growth of lithium dendrites.Importantly,the 1-Adamantanecarbonitrile also regulates the formation of LiF in the solid electrolyte interface and cathode electrolyte interface,which contributes to the interfacial stability(especially at high voltages)and protects the electrodes,enabling all-solid-state batteries to cycle at high voltages for long periods of time.Therefore,the Li/Li symmetric cell undergoes long-term lithium plating/stripping for more than 2000 h.1-Adamantanecarbonitrile-poly(ethylene oxide)-based LFP/Li and 4.3 V Ni_(0.8)Mn_(0.1)Co_(0.1)O_(2)/Li all-solid-state batteries achieved stable cycles for 1000 times,with capacity retention rates reaching 85%and 80%,respectively.

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.

Gelation of Hole Transport Layer to Improve the Stability of Perovskite Solar Cells

To achieve high power conversion efficiency(PCE) and long-term stability of perovskite solar cells(PSCs), a hole transport layer(HTL) with persistently high conductivity, good moisture/oxygen barrier ability, and adequate passivation capability is important. To achieve enough conductivity and effective hole extraction, spiro-OMe TAD, one of the most frequently used HTL in optoelectronic devices, often needs chemical doping with a lithium compound(LiTFSI). However, the lithium salt dopant induces crystallization and has a negative impact on the performance and lifetime of the device due to its hygroscopic nature. Here, we provide an easy method for creating a gel by mixing a natural small molecule additive(thioctic acid, TA) with spiro-OMe TAD. We discover that gelation effectively improves the compactness of resultant HTL and prevents moisture and oxygen infiltration. Moreover, the gelation of HTL improves not only the conductivity of spiro-OMe TAD, but also the operational robustness of the devices in the atmospheric environment. In addition, TA passivates the perovskite defects and facilitates the charge transfer from the perovskite layer to HTL. As a consequence, the optimized PSCs based on the gelated HTL exhibit an improved PCE(22.52%) with excellent device stability.

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.

Electronic and thermal properties of Ag-doped single crystal zinc oxide via laser-induced technique

The doping of ZnO has attracted lots of attention because it is an important way to tune the properties of ZnO.Postdoping after growth is one of the efficient strategies.Here,we report a unique approach to successfully dope the single crystalline ZnO with Ag by the laser-induced method,which can effectively further post-treat grown samples.Magnetron sputtering was used to coat the Ag film with a thickness of about 50 nm on the single crystalline ZnO.Neodymium-doped yttrium aluminum garnet(Nd:YAG)laser was chosen to irradiate the Ag-capped ZnO samples,followed by annealing at700℃for two hours to form ZnO:Ag.The three-dimensional(3D)information of the elemental distribution of Ag in ZnO was obtained through time-of-flight secondary ion mass spectrometry(TOF-SIMS).TOF-SIMS and core-level x-ray photoelectron spectroscopy(XPS)demonstrated that the Ag impurities could be effectively doped into single crystalline ZnO samples as deep as several hundred nanometers.Obvious broadening of core level XPS profiles of Ag from the surface to depths of hundred nms was observed,indicating the variance of chemical state changes in laser-induced Ag-doped ZnO.Interesting features of electronic mixing states were detected in the valence band XPS of ZnO:Ag,suggesting the strong coupling or interaction of Ag and ZnO in the sample rather than their simple mixture.The Ag-doped ZnO also showed a narrower bandgap and a decrease in thermal diffusion coefficient compared to the pure ZnO,which would be beneficial to thermoelectric performance.

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.

Surface Molecular Encapsulation with Cyclodextrin in Promoting the Activity and Stability of Fe Single-Atom Catalyst for Oxygen Reduction Reaction

Fe single-atom catalysts(Fe-SACs)have been extensively studied as a highly efficient electrocatalyst toward the oxygen reduction reaction(ORR).Nonetheless,they suffer from stability issue induced by dissolution of Fe metal center and the OH^(−)blocking.Herein,a surface molecular engineering strategy is developed by usingβ-cyclodextrins(CDs)as a localized molecular encapsulation.The CD-modified Fe-SAC(Fe-SNC-β-CD)shows obviously improved activity toward the ORR with 0.90 V,4.10 and 4.09 mA cm^(-2)for E_(1/2),J_(0)and Jk0.9,respectively.Meanwhile,the Fe-SNC-β-CD shows the excellent long-term stability against aggressive stress and the poisoning.It is confirmed through electrochemical investigation that modification ofβ-CD can,on one hand,regulate the atomic Fe coordination chemistry through the interaction between the CD and FeN_(x) moiety,while on the other mitigate the strong adsorption of OH^(−)and function as protective barrier against the poisoning molecules leading to enhanced ORR activity and stability for the Fe-SACs.The molecular encapsulation strategy demonstrates the uniqueness of post-pyrolysis surface molecular engineering for the design of single-atom catalyst.

Resist Thermal Shock Through Viscoelastic Interface Encapsulation in Perovskite Solar Cells

Enhancing the lifetime of perovskite solar cells(PSCs)is one of the essential challenges for their industrialization.Although the external encapsulation protects the perovskite device from the erosion of moisture and oxygen under various harsh conditions.However,the perovskite devices still undergo static and dynamic thermal stress during thermal and thermal cycling aging,respectively,resulting in irreversible damage to the morphology,component,and phase of stacked materials.Herein,the viscoelastic polymer polyvinyl butyral(PVB)material is designed onto the surface of perovskite films to form flexible interface encapsulation.After PVB interface encapsulation,the surface modulus of perovskite films decreases by nearly 50%,and the interface stress range under the dynamic temperature field(−40 to 85°C)drops from−42.5 to 64.8 MPa to−14.8 to 5.0 MPa.Besides,PVB forms chemical interactions with FA+cations and Pb^(2+),and the macroscopic residual stress is regulated and defects are reduced of the PVB encapsulated perovskite film.As a result,the optimized device's efficiency increases from 22.21%to 23.11%.Additionally,after 1500 h of thermal treatment(85°C),1000 h of damp heat test(85°C&85%RH),and 250 cycles of thermal cycling test(−40 to 85°C),the devices maintain 92.6%,85.8%,and 96.1%of their initial efficiencies,respectively.

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.

Ultrathin and Flexible CNTs/MXene/Cellulose Nanofibrils Composite Paper for Electromagnetic Interference Shielding

As the rapid development of portable and wearable devices,different electromagnetic interference(EMI)shielding materials with high efficiency have been desired to eliminate the resulting radiation pollution.However,limited EMI shielding materials are successfully used in practical applications,due to the heavy thickness and absence of sufficient strength or flexibility.Herein,an ultrathin and flexible carbon nanotubes/MXene/cellulose nanofibrils composite paper with gradient and sandwich structure is constructed for EMI shielding application via a facile alternating vacuum-assisted filtration process.The composite paper exhibits outstanding mechanical properties with a tensile strength of 97.9±5.0 MPa and a fracture strain of 4.6±0.2%.Particularly,the paper shows a high electrical conductivity of 2506.6 S m?1 and EMI shielding effectiveness(EMI SE)of 38.4 dB due to the sandwich structure in improving EMI SE,and the gradient structure on regulating the contributions from reflection and absorption.This strategy is of great significance in fabricating ultrathin and flexible composite paper for highly efficient EMI shielding performance and in broadening the practical applications of MXene-based composite materials.

Unrevealing the effects of low temperature on cycling life of 21700-type cylindrical Li-ion batteries

The low-temperature performance of Li-ion batteries(LIBs) has important impacts on their commercial applications. Besides the metallic lithium deposition, which is regarded as one of the main failure mechanisms of the LIBs at low temperatures, the synergistic effects originating from the cathode, anode, electrolyte, and separators to the batteries are still not clear. Here, the 21700-type cylindrical batteries were evaluated at a wide range of temperatures to investigate the failure mechanism of batteries. Voltage relaxation, and the post-mortem analysis combined with the electrochemical tests, unravel that the capacity degradation of batteries at low temperature is related to the lithium plating at graphite anodes,the formation of unsatisfied solid deposited/decomposed electrolyte mixture phase on the anode, the precipitation of solvent in the electrolytes and the block of separator pores, and the uneven dissolved transition metal-ions from the cathode. We hope this finding may open up a new avenue to alleviate the capacity degradation of advanced LIBs at low temperatures and shed light on the development of outstanding low-temperature LIBs via simultaneous optimization of all the components including electrodes, electrolytes and separators.

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.

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.