Enhanced hydrogen storage kinetics of nanocrystalline and amorphous Mg_2N-type alloy by substituting Ni with Co

In order to improve the hydrogen storage kinetics of the Mg2Ni-type alloys, Ni in the alloy was partially substituted with element Co. The Mg2Ni-type Mg2Ni1-xCox （x=0, 0.1, 0.2, 0.3, 0.4） alloys were fabricated by melt-spinning technique. The structures of the as-spun alloys were characterized by XRD and TEM. The gaseous and electrochemical hydrogen storage kinetics of the alloys was measured. The results show that the substitution of Co for Ni notably enhances the glass forming ability of the Mg2Ni-type alloy. The amorphization degree of the alloys visibly increases with rising of Co content. Furthermore, the substitution of Co for Ni significantly improves the hydrogen storage kinetics of the alloys. With an increase in the amount of Co substitution from 0 to 0.4, the hydrogen absorption saturation ratio of the as-spun （15 m/s） alloy increases from 81.2% to 84.9%, the hydrogen desorption ratio from 17.60% to 64.79%, the hydrogen diffusion coefficient increases from 1.07×10-11 to 2.79×10-11 cm2/s and the limiting current density increases from 46.7 to 191.7 mA/g, respectively.

Effects of substituting La with M(M=Sm, Nd, Pr) on electrochemical hydrogen storage characteristics of A_2B_7-type electrode alloys

The partial substitution of M （M=Sm, Nd, Pr） for La was performed in order to ameliorate the electrochemical hydrogen storage performance of RE–Mg–Ni-based A2B7-type electrode alloys. The La0.8–xMxMg0.2Ni3.35Al0.1Si0.05 （M=Sm, Nd, Pr;x=0-0.4） electrode alloys were fabricated by casting and annealing and their microstructures were characterized by X-ray diffraction （XRD） and scanning electron microscopy （SEM）. The major phases （La, Mg）2Ni7 with the hexagonal Ce2Ni7-type structure and LaNi5 with the hexagonal CaCu5-type structure make up the basic microstructure of the experimental alloys. The discharge capacities of the as-cast and annealed alloys all gain their maximum values with the M （M=Sm, Nd, Pr） content varying. The electrochemical cycle stability of the as-cast and annealed alloys clearly rises with the M （M=Sm, Nd, Pr） content growing. Furthermore, the electrochemical kinetics of the alloys, including the high rate discharge ability, charge transfer rate, limiting current density and hydrogen diffusion coefficient, all present a increase trend at first and then decrease with the rising of M （M=Sm, Nd, Pr） content.

Effect of Curing Regime on Degree of Al^(3+) Substituting for Si^(4+) in C-S-H Gels of Hardened Portland Cement Pastes

The effect of curing regime on degree ofAl3＋ substituting for Si^4＋ （Al/Si ratio） in C-S-H gels of hardened Portland cement pastes was investigated by 29Si magic angel spinning （MAS） nuclear magnetic resonance （NMR） with deconvolution technique. The curing regimes included the constant temperature （20, 40, 60 and 80 ℃） and variable temperature （simulated internal temperature of mass concrete with 60 ℃ peak）. The results indicate that constant temperature of 20 ℃ is beneficial to substitution ofAl3＋ for Si4＋, and AI/Si ratio changes to be steady after 180 d. The increase of Al/Si ratio at 40 ℃is less than that at 20℃ for 28 d. The other three regimes of high temperature increase Al/Si ratio only before 3 d, on the contrary to that from 3 to 28 d. However, the 20 ℃ curing stage from 28 to 180 d at variable temperature regime, is beneficial to the increase of AI/Si ratio which is still lower than that at constant temperature regime of 20 ℃ for the same age. A nonlinear relation exists between the Al/Si ratio and temperature variation or mean chain length （MCL） of C-S-H gels, furthermore, the amount ofAl3＋ which can occupy the bridging tetrahedra sites in C-S-H structure is insufficient in hardened Portland cement pastes.

Influence of substituting Ni with Co on hydriding and dehydriding kinetics of melt spun nanocrystalline and amorphous Mg_2Ni-type alloys

In order to improve the hydriding and dehydriding kinetics of the Mg2Ni-type alloys,Ni in the alloy is substituted by element Co. The nanocrystalline and amorphous Mg2Ni-type Mg2Ni1-xCox (x=0,0.1,0.2,0.3,0.4) alloys were synthesized by melt-spinning technique. The structures of the as-cast and spun alloys were studied with an X-ray diffractometer (XRD) and a high resolution transmission electronic microscope (HRTEM). An investigation on the thermal stability of the as-spun alloys was carried out with a differential scanning calorimeter (DSC). The hydrogen absorption and desorption kinetics of the alloys were measured with an automatically controlled Sieverts apparatus. The results demonstrate that the substitution of Co for Ni does not alter the major phase of Mg2Ni but results in the formation of secondary phase MgCo2. No amorphous phase is detected in the as-spun Co-free alloy,but a certain amount of amorphous phase is clearly found in the as-spun Co-containing alloys. The substitution of Co for Ni exerts a slight influence on the hydriding kinetics of the as-spun alloy. However,it dramatically enhances the dehydriding kinetics of the as-cast and spun alloys. As Co content (x) increases from 0 to 0.4,the hydrogen desorption capacity increases from 0.19% to 1.39% (mass fraction) in 20 min for the as-cast alloy,and from 0.89% to 2.18% (mass fraction) for the as-spun alloy (30 m/s).

Influences of substituting Ni with M(M=Cu,Co,Mn)on gaseous and electrochemical hydrogen storage kinetics of Mg_(20)Ni_(10) alloys

In this work,a comprehensive comparison regarding the impacts of M(M=Cu,Co,Mn)substitution for Ni on the structures and the hydrogen storage kinetics of the nanocrystalline and amorphous Mg20Ni10-xMx(M=Cu,Co,Mn; x=0-4)alloys prepared by melt spinning has been carried out.The analysis of XRD and TEM reveals that the as-spun(M=None,Cu)alloys display an entire nanocrystalline structure,whereas the as-spun(M=Co,Mn)alloys hold a mixed structure of nanocrystalline and amorphous structure when M content x=4,indicating that the substitution of M(M=Co,Mn)for Ni facilitates the glass formation in the Mg2Ni-type alloy.Besides,all the as-spun alloys have a major phase of Mg2Ni but M(M=Co,Mn)substitution brings on the formation of some secondary phases,MgCo2 and Mg phases for M=Co as well as MnNi and Mg phases for M=Mn.Based upon the measurements of the automatic Sieverts apparatus and the automatic galvanostatic system,the impacts engendered by M(M=Cu,Co,Mn)substitution on the gaseous and electrochemical hydrogen storage kinetics of the alloys appear to be evident.The gaseous hydriding kinetics of the alloys first rises and then declines with the growing of M(M=Cu,Co,Mn)content.Particularly,the M(M= Mn)substitution results in a sharp drop in the hydriding kinetics when x=4.The M(M=Cu,Co,Mn)substitution ameliorates the dehydriding kinetics dramatically in the order(M=Co)>(M=Mn)>(M=Cu).The electrochemical kinetics of the alloys visibly grows with M content rising for(M=Cu,Co),while it first increases and then declines for(M=Mn).

Effects of substituting Ni with M (M=Cu, Al and Mn) on microstructures and electrochemical characteristics of La-Mg-Ni system (PuNi_3-type) electrode alloys

In order to improve the electrochemical cycle stability of La-Mg-Ni system (PuNi3-type) hydrogen storage alloy, Ni in the alloys was partially substituted by M (M=Cu, Al, Mn). A new La-Mg-Ni system electrode alloys La0.7Mg0.3Ni2.55-xCo0.45Mx (M=Cu, Al, Mn; x=0, 0.1) were prepared by casting and rapid quenching. The effects of element substitution and rapid quenching on the microstructures and electrochemical performances of the alloys were investigated. The results by XRD, SEM and TEM show that the alloys have a multiphase structure, including the (La, Mg)Ni3 phase, the LaNi5 phase and the LaNi2 phase. The rapid quenching and element substitution have an imperceptible influence on the phase compositions of the alloys, but both change the phase abundance of the alloys. The rapid quenching significantly improves the composition homogeneity of the alloys and markedly decreases the grain size of the alloys. The Cu substitution promotes the formation of an amorphous phase in the as-quenched alloy, and a reversal result by the Al substitution. The electrochemical measurement indicates that the element substitution decreases the discharge capacity of the alloys, whereas it obviously improves the cycle stability of the alloys. The positive influence of element substitution on the cycle life of the alloys is in sequence Al>Cu>Mn, and negative influence on the discharge capacity is in sequence Al>Mn>Cu. The rapid quenching significantly enhances the cycle stability of the alloys, but it leads to a different extent decrease of the discharge capacity of the alloys.

Effect of Substituting Group on the Calculated Nonlinear Second－Order Optical Susceptibilities of Substituted Thiophene Derivatives with Quinoidlike Conformation

alculations of the nonlinear second-order optical susceptlbilities(β_(ijk))for sub- stituted tl1iophene derivative;with quinoidlike conformation are reported.These systetems possess small dipole moment;and large differences between dipole mo- ments of ground and first-excited states.Geometry optimizations of the molecules investigated were carried out using AM 1 method.The calculations were performed using INDO/CI method comboned with a sum-over-states expression for β_(jik). The calculated results sbw that the second-order susceptibility is a function of the na- ture and location of substituents and is larger for disubstituted molecules than monosubstituted molecules. Bipolymeric thiophenemetmne with NH_2/NO_2 groups was calctilated to have a β_μof 79. 920 × 10￣(-30) esu. It was found that the NH_2 and NO_2 groups in above disubstituted molecules are pull-pull groups in ground states,but are usual push-pull groups in the first excited states.

Highly Improved Electrochemical Performances of the Nanocrystalline and Amorphous Mg_2Ni-type Alloys by Substituting Ni with M (M=Cu,Co,Mn)

The element Ni in the Mg2Ni alloy is partially substituted by M（M = Cu, Co, Mn） in order to ameliorate the electrochemical hydrogen storage performances of Mg2Ni-type electrode alloys. The nanocrystalline and amorphous Mg20Ni10-xMx（M = None, Cu, Co, Mn; x = 0-4） alloys were prepared by melt spinning. The effects of the M（M = Cu, Co, Mn） content on the structures and electrochemical hydrogen storage characteristics of the as-cast and spun alloys were comparatively studied. The analyses by XRD, SEM and HRTEM reveal that all the as-cast alloys have a major phase of Mg2Ni but the M（M = Co, Mn） substitution brings on the formation of some secondary phases, MgCo2 and Mg for the（M = Co） alloy, and Mn Ni and Mg for the（M = Mn） alloy. Besides, the as-spun（M = None, Cu） alloys display an entirely nanocrystalline structure, whereas the as-spun（M = Co, Mn） alloys hold a nanocrystalline/amorphous structure, suggesting that the substitution of M（M = Co, Mn） for Ni facilitates the glass formation in the Mg2Ni-type alloys. The electrochemical measurements indicate that the variation of M（M = Cu, Co, Mn） content engenders an obvious effect on the electrochemical performances of the as-cast and spun alloys. To be specific, the cyclic stabilities of the alloys augment monotonously with increasing M（M = Cu, Co, Mn） content, and the capacity retaining rate（S20） is in an order of（M = Cu） 〉（M = Co） 〉（M = Mn） 〉（M = None） for x≤1 but changes to（M = Co） 〉（M = Mn） 〉（M = Cu） 〉（M = None） for x≥2. The discharge capacities of the as-cast and spun alloys always grow with the rising of M（M = Co, Mn） content but first mount up and then go down with increasing M（M = Cu） content. Whatever the M content is, the discharge capacities are in sequence：（M = Co） 〉（M = Mn） 〉（M = Cu） 〉（M = None）. The high rate discharge abilities（HRDs） of all the alloys grow clearly with rising M（M = Cu, Co） content except for（M = Mn） alloy, whose HRD has a maximum value with varying M（M = Mn） content. Furthermore, for the as-cast alloys, the HRD is in order of（M = Co） 〉（M = Mn） 〉（M = Cu） 〉（M = None）, while for the as-spun（20 m·s^-1） alloys, it changes from（M = Co） 〉（M = Mn） 〉（M = Cu） 〉（M = None） for x = 1 to（M = Cu） 〉（M = Co） 〉（M = None） 〉（M = Mn） for x = 4.

Effect of Substituting Plantation Species for Native Shrubs on the Water-holding Characteristics of the Forest Floor on the Eastern Tibetan Plateau

Although the forest floor plays important roles in water-holding and nutrient cycling, there is not enough knowledge of the functional changes of the forest floor resulting from changes in vegetation. To evaluate the effect on the hydrological properties of forest floor by the substitution of plantation species for native coppice, we selected four species substituting plantations and one native coppice （secondary native broad-leaved forest, dominated by Quercus liaotungensis and Corylus heterophylla var. sutchuenensis） （QC） as a comparison forest. The substituting plantations were Cercidiphyllum japonicum （Cj）, Pinus tabulaeformis （Pt）, Pinus armandi （Pa）, Larix kaempferi （Lk）. These were established in 1987 with a stocking density of approximately 2500 stem ha -1 . Thickness and the amount of floor in coniferous plantations were significantly higher compared to secondary native broad-leaved forest and pure broad- leaved plantation. The maximal water-holding capacity of the floor showed the same trend as thickness and amount of litter. Main contributors to the difference in hydrological characteristics in the plantations were the quantity of forest floor and the maximal water holding capacity per unit weight of the floor. The relationships between water absorption processes, water absorption rate and the immersion time for litter, fitted to logarithmic and exponential regressions, respectively. Water absorption processes differed significantly between the various plantations and different decomposition floor horizons. Water absorption characteristics were influenced by leaf structure in various tree species and the degree of decomposed litter. Our results showed that litter amount in coniferous plantations were significantly higher than in deciduous broad-leaved plantation. This suggests that a large amount of nutrients are held in the litter horizon, delaying return to the soil and utilization by plants. At the same time, maximal water-holding capacity of the forest floor in F [fermentation] and H [hummus] horizons was significantly higher than that in L [fresh litter] horizon. Therefore, improving litter transformation from L horizon to F and H horizons by promoting forest floor environment would be one of the best methods for plantation management.

Effects of substituting chemical fertilizers with manure on rice yield and soil labile nitrogen in paddy fields of China: A meta-analysis

Substituting chemical fertilizers with manure is an important method for efficient nutrient management in rice cropping systems of China.Labile nitrogen(N)is the most active component of the soil N pool and plays an essential role in soil fertility.However,the effects of manure substitution on soil labile N in rice cropping systems and their relationships with soil properties,fertilization practices,and climatic conditions remain unclear and should be systematically quantified.Here,we investigated rice grain yield and four types of soil labile N that have been widely reported,including available nitrogen(AN),ammonium nitrogen(NH_(4)^(+)-N),nitrate nitrogen(NO_(3)^(−)-N),and microbial biomass nitrogen(MBN).We reviewed 187 published articles and performed a meta-analysis to quantify the effects of manure substitution on yield and soil labile N.The results showed that manure substitution increased AN,MBN,NH+4-N,and NO−3-N by 11.3%,38.5%,5.9%,and 8.1%,respectively.Partial substitution significantly increased the yield by 1.4%–5.9%,but full substitution significantly decreased the yield by 2.9%.The positive effects of manure substitution on yield and AN were stronger with long-term fertilization.The differences in responses varied across specific manure types,N application rates,soil properties,and climatic factors.In conclusion,manure substitution can increase soil labile N and is regarded as an efficient strategy for improving soil N fertility and a recommended measure for applying both chemical and organic fertilizers in rice systems.This study provides evidence of the effects of manure substitution on yield enhancement by increasing soil labile N.

STUDY OF THE COLOR REACTION OF RARE EARTHS WITH ASYMMETRIC ARSENAZOREAGENTS CONTAINING HALIDESUBSTITUTING GROUP

In order to study the structure of asymmetric arsenazo reagents containing halide substituting group on their reactivity with rare earths, we have synthesized in special conditions ten new color reagents and studied them.All the reagents are synthesized first by Wuhan University except No. Ⅰ of them.

Enhancing the magnetoelectric coupling of Co4Nb2O9[100] by substituting Mg for Co

We report experimental studies on enhancing the magnetoelectric （ME） coupling of Co4Nb2O9 by sub- stituting the non-magnetic metal Mg for Co. A series of single crystal Co4-xMgxNb2O9 （x = 0, 1, 2, 3） with a single-phase corundum-type structure are synthesized using the optical floating zone method, and the good quality and crystallographic orientations of the synthesized samples are confirmed by the Laue spots and sharp XRD peaks. Although the Neel temperatures （TN） of the Mg substituted crystals decrease slightly from 27 K for pure C04Nb2O9 to 19 K and 11 K for Co3MgNb2O9 and Co2Mg2Nb2O9, respectively, the ME coupling is doubly enhanced by Mg substitution when x = 1. The ME coefficient OlMg of Co3MgNb2O9 required for the magnetic field （electric field） control of electric polarization （magnetization） is measured to be 12.8 ps/m （13.7 ps/m）. These results indicate that the Mg substituted Co4-xMgxNb2O9 （x = 1） could serve as a potential candidate material for applications in future logic spintronics and logic devices.

Artificial oxygen carriers,from nanometer-to micrometer-sized particles,made of hemoglobin composites substituting for red blood cells

Blood transfusions are regarded as the most well-known and frequently performed cell transplantations.Although current transfusion systems are sophisticated,they cannot be freed from the inherent difficulties that include infection,short shelf life,and blood type mismatching.Artificial oxygen carriers produced using hemoglobin(Hb)are designated as Hb-based oxygen carriers(HBOCs),which are anticipated for use as biomaterials that have potential to resolve issues of transfusion by a radical paradigm shift.Various HBOCs,nanometer-sized to micrometer-sized bioparticles having an oxygen-carrying function,are developed for use as substitutes for red blood cells(RBCs).This paper presents an overview of the classification of HBOCs with reference to their histories,preparations,structures,functions,and in vitro and in vivo properties.Additionally,we give a more detailed introduction of our academic studies of liposome encapsulated Hb,designated as Hb-vesicles(HbV),which mimic the physiologically important corpuscular structure of RBCs.This review outlines perennial efforts and approaches to mimic RBC functions through chemical,genetic,and encapsulation techniques.It will provide important insights into the eventual realization of an alternative for RBC transfusion.

NiCoZn/C@melamine sponge-derived carbon composites with highperformance electromagnetic wave absorption

NiMZn/C@melamine sponge-derived carbon(MSDC)composites(M=Co,Fe,and Mn)were prepared by a vacuum pump-ing solution method followed by carbonization.A large number of carbon nanotubes(CNTs)homogeneously attached to the surfaces of the three-dimensional cross-linked of the sponge-derived carbon in the NiCoZn/C@MSDC composite,and CNTs were detected in the NiFeZn/C@MSDC and NiMnZn/C@MSDC composites.Ni_(3)ZnC_(0.7),Ni_(3)Fe,and MnO in-situ formed in the NiFeZn/C@MSDC and NiMnZn/C@MSDC composites.The CNTs in the NiCoZn/C@MSDC composite efficiently modulated its complex permittivity.Thus,the composite exhibited the best performance among the composites,with the minimum reflection loss(RL_(min))of-33.1 dB at 18 GHz and thickness of 1.4 mm.The bandwidth for RL of≤-10 dB was up to 5.04 GHz at the thickness of 1.7 mm and loading of 25wt%.The op-timized impedance matching,enhanced interfacial and dipole polarization,remarkable conduction loss,and multiple reflections and scat-tering of the incident microwaves improved the microwave absorption performance.The effects of Co,Ni,and Fe on the phase and mor-phology provided an alternative way for developing highly efficient and broadband microwave absorbers.

Train post‑derailment behaviours and containment methods:a review

Railway accidents,particularly serious derailments,can lead to catastrophic consequences.Therefore,it is essential to prevent derailment escalation to reduce the likelihood of severe derailments.Train post-derailment behaviours and containment methods play a critical role in preventing derailment escalation and providing passive safety protection and accident prevention in the event of a derailment.However,despite the increasing attention on this field from academia and industry in recent years,there is a lack of systematic exploration and summarization of emerging applications and containment methods in train post-derailment research.For this reason,this paper presents a comprehensive review of existing studies on train post-derailment behaviours,encompassing various topics such as post-derailment contact-impact models,dynamic modelling and simulation techniques,and the primary factors influencing post-derailment behaviours.Significantly,this review introduces and elucidates substitute guidance mechanisms(SGMs),which serve as railway-specific passive safety protection and accident prevention measures.The various types of SGMs are depicted,and their ongoing developments and applications are explored in depth.The review additionally points out several unresolved challenges including the adverse effects of SGMs,and proposes future research directions to advance the theoretical understanding and practical application of train post-derailment behaviours and containment methods.This review seeks to be a valuable reference for railway industry professionals in preventing catastrophic derailment consequences through post-derailment containment methods.

Manure substitution improves maize yield by promoting soil fertility and mediating the microbial community in lime concretion black soil

Synthetic nitrogen(N)fertilizer has made a great contribution to the improvement of soil fertility and productivity,but excessive application of synthetic N fertilizer may cause agroecosystem risks,such as soil acidification,groundwater contamination and biodiversity reduction.Meanwhile,organic substitution has received increasing attention for its ecologically and environmentally friendly and productivity benefits.However,the linkages between manure substitution,crop yield and the underlying microbial mechanisms remain uncertain.To bridge this gap,a three-year field experiment was conducted with five fertilization regimes:i)Control,non-fertilization;CF,conventional synthetic fertilizer application;CF_(1/2)M_(1/2),1/2 N input via synthetic fertilizer and 1/2 N input via manure;CF_(1/4)M_(3/4),1/4 N input synthetic fertilizer and 3/4 N input via manure;M,manure application.All fertilization treatments were designed to have equal N input.Our results showed that all manure substituted treatments achieved high soil fertility indexes(SFI)and productivities by increasing the soil organic carbon(SOC),total N(TN)and available phosphorus(AP)concentrations,and by altering the bacterial community diversity and composition compared with CF.SOC,AP,and the soil C:N ratio were mainly responsible for microbial community variations.The co-occurrence network revealed that SOC and AP had strong positive associations with Rhodospirillales and Burkholderiales,while TN and C:N ratio had positive and negative associations with Micromonosporaceae,respectively.These specific taxa are implicated in soil macroelement turnover.Random Forest analysis predicted that both biotic(bacterial composition and Micromonosporaceae)and abiotic(AP,SOC,SFI,and TN)factors had significant effects on crop yield.The present work strengthens our understanding of the effects of manure substitution on crop yield and provides theoretical support for optimizing fertilization strategies.

Off-farm employment,agriculture production activities,and household dietary diversity in environmentally and economically vulnerable areas of Asia

Access to off-farm employment has been expected to be a critical approach to ending hunger and all forms of malnutrition,two important targets of achieving Zero Hunger.This study aims to investigate the role of off-farm employment in improving dietary diversity through substitution effect and complementary effect with agricultural production activities and income effect.This study adopts Poisson/Tobit/Probit/OLS regressions and the instrument variable method based on the primary survey data collected among 1,282 households at 12 sites in environmentally and economically vulnerable areas of China,Nepal,Cambodia,Thailand,and Myanmar in 2019.The results show that off-farm employment is positively associated with household dietary diversity and the consumption of flesh meat,fish and other aquatic animals,fruits,and milk and dairy products,which are rich in protein and micronutrients.The results of mechanism analysis show that off-farm employment contributes to household dietary diversity by improving crop diversity,especially for poor households,boosting the probability of livestock raising for households with the middle one-third disposal income,and increasing household income.The positive association between off-farm employment and household dietary diversity is much higher for households with the bottom one-third disposal income,low illiteracy,and from upper-middle income countries.These findings imply that off-farm employment does play a vital role in achieving multiple benefits of poverty alleviation,malnutrition reduction,and agrobiodiversity conservation in environmentally and economically vulnerable areas.However,it may enlarge the gaps in dietary diversity between households with low human capital and from low and lower-middle income countries and those with high human capital and from middle-high countries.

Synthesis and Modulation of Low-Dimensional Transition Metal Chalcogenide Materials via Atomic Substitution

In recent years,low-dimensional transition metal chalcogenide(TMC)materials have garnered growing research attention due to their superior electronic,optical,and catalytic properties compared to their bulk counterparts.The controllable synthesis and manipulation of these materials are crucial for tailoring their properties and unlocking their full potential in various applications.In this context,the atomic substitution method has emerged as a favorable approach.It involves the replacement of specific atoms within TMC structures with other elements and possesses the capability to regulate the compositions finely,crystal structures,and inherent properties of the resulting materials.In this review,we present a comprehensive overview on various strategies of atomic substitution employed in the synthesis of zero-dimensional,one-dimensional and two-dimensional TMC materials.The effects of substituting elements,substitution ratios,and substitution positions on the structures and morphologies of resulting material are discussed.The enhanced electrocatalytic performance and photovoltaic properties of the obtained materials are also provided,emphasizing the role of atomic substitution in achieving these advancements.Finally,challenges and future prospects in the field of atomic substitution for fabricating low-dimensional TMC materials are summarized.

Atom substitution of the solid-state electrolyte Li_(10)GeP_(2)S_(12)for stabilized all-solid-state lithium metal batteries

Solid-state electrolyte Li_(10)GeP_(2)S_(12)(LGPS)has a high lithium ion conductivity of 12 mS cm^(-1)at room temperature,but its inferior chemical stability against lithium metal anode impedes its practical application.Among all solutions,Ge atom substitution of the solid-state electrolyte LGPS stands out as the most promising solution to this interface problem.A systematic screening framework for Ge atom substitution including ionic conductivity,thermodynamic stability,electronic and mechanical properties is utilized to solve it.For fast screening,an enhanced model Dop Net FC using chemical formulas for the dataset is adopted to predict ionic conductivity.Finally,Li_(10)SrP_(2)S_(12)(LSrPS)is screened out,which has high lithium ion conductivity(12.58 mS cm^(-1)).In addition,an enhanced migration of lithium ion across the LSr PS/Li interface is found.Meanwhile,compared to the LGPS/Li interface,LSrPS/Li interface exhibits a larger Schottky barrier(0.134 eV),smaller electron transfer region(3.103?),and enhanced ability to block additional electrons,all of which contribute to the stabilized interface.The applied theoretical atom substitution screening framework with the aid of machine learning can be extended to rapid determination of modified specific material schemes.

Bio-Based Waterborne Poly(Vanillin-Butyl Acrylate)/MXene Coatings for Leather with Desired Warmth Retention and Antibacterial Properties

This study presents a solvent-free,facile synthesis of a bio-based green antibacterial agent and aromatic monomer methacrylated vanillin(MV)using vanillin.The resulting MV not only imparted antibacterial properties to coatings layered on leather,but could also be employed as a green alternative to petroleum-based carcinogen styrene(St).Herein,MV was copolymerized with butyl acrylate(BA)to obtain waterborne bio-based P(MV-BA)miniemulsion via miniemulsion polymerization.Subsequently,MXene nanosheets with excellent photothermal conversion performance and antibacterial properties,were introduced into the P(MV-BA)miniemulsion by ultrasonic dispersion.During the gradual solidification of P(MV-BA)/MXene nanocomposite miniemulsion on the leather surface,MXene gradually migrated to the surface of leather coatings due to the cavitation effect of ultrasonication and amphiphilicity of MXene,which prompted its full exposure to light and bacteria,exerting the maximum photothermal conversion efficiency and significant antibacterial efficacy.In particular,when the dosage of MXene nanosheets was 1.4 wt%,the surface temperature of P(MV-BA)/MXene nanocomposite miniemulsioncoated leather(PML)increased by about 15℃ in an outdoor environment during winter,and the antibacterial rate against Escherichia coli and Staphylococcus aureus was nearly 100%under the simulated sunlight treatment for 30 min.Moreover,the introduction of MXene nanosheets increased the air permeability,water vapor permeability,and thermal stability of these coatings.This study provides a new insight into the preparation of novel,green,and waterborne bio-based nanocomposite coatings for leather,with desired warmth retention and antibacterial properties.It can not only realize zerocarbon heating based on sunlight in winter,reducing the use of fossil fuels and greenhouse gas emissions,but also improve ability to fight off invasion by harmful bacteria,viruses,and other microorganisms.