Large interfacial strains in particles are crucial for promoting bonding in cold spraying(CS),initiated either by adiabatic shear instability(ASI)due to softening prevailing over strain hardening or by hydrostatic pla...Large interfacial strains in particles are crucial for promoting bonding in cold spraying(CS),initiated either by adiabatic shear instability(ASI)due to softening prevailing over strain hardening or by hydrostatic plasticity,which is claimed to promote bonding even without ASI.A thorough microstructural analysis is vital to fully understand the bonding mechanisms at play during microparticle impacts and throughout the CS process.In this study,the HEA CoCrFeMnNi,known for its relatively high strain hardening and resistance to softening,was selected to investigate the microstructure characteristics and bonding mech-anisms in CS.This study used characterization techniques covering a range of length scales,including electron channeling contrast imaging(ECCI),electron backscatter diffraction(EBSD),and high-resolution transmission microscopy(HR-TEM),to explore the microstructure characteristics of bonding and overall structure development of CoCrFeMnNi microparticles after impact in CS.HR-TEM lamellae were prepared using focused ion beam milling.Additionally,the effects of deformation field variables on microstructure development were determined through finite element modeling(FEM)of microparticle impacts.The ECCI,EBSD,and HR-TEM analyses revealed an interplay between dislocation-driven processes and twinning,leading to the development of four distinct deformation microstructures.Significant grain refinement occurs at the interface through continuous dynamic recrystallization(CDRX)due to high strain and temperature rise from adiabatic deformation,signs of softening,and ASI.Near the interface,a necklace-like structure of refined grains forms around grain boundaries,along with elongated grains,resulting from the coexistence of dynamic recovery and discontinuous dynamic recrystallization(DDRX)due to lower temperature rise and strain.Towards the particle or substrate interior,concurrent twinning and dislocation-mediated mechanisms refine the structure,forming straight,curved,and intersected twins.At the top of the particles,only deformed grains with a low dislocation density are observed.Our results showed that DRX induces microstructure softening in highly strained interface areas,facilitating atomic bonding in CoCrFeMnNi.HR-TEM investigation confirms the formation of atomic bonds between particles and substrate,with a gradual change in crystal lattice orientation from the particle to the substrate and the occurrence of some misfit dislocations and vacancies at the interface.Finally,the findings of this research suggest that softening and ASI,even in materials resistant to softening,are required to establish bonding in CS.展开更多
Lightweight,high-strength,and heat-resistant protective structures have consistently been crucial for applications in extreme environments,such as aerospace,semiconductors,and nuclear power industries.Multilayered TC4...Lightweight,high-strength,and heat-resistant protective structures have consistently been crucial for applications in extreme environments,such as aerospace,semiconductors,and nuclear power industries.Multilayered TC4/TB8 titanium(Ti)laminates,inspired by theheterostructures of natural biological shells,were fabricated using a hybrid diffusion bonding-hot rolling process followed by an aging treatment,resulting in an architected micro structure.The laminate achieves an ultra-high yield stress of 1020 MPa and proper uniform elongation of 4.2%at 500℃.The TB8 layers with high-density nano-precipitates and dislocations act as hard zone,contributing to high strength.The TC4 layers,with their bimodal structure consisting of coarse and fine grains characterized by equiaxed and lamellar structures,experience more plastic strain than the TB8 layers.The hetero deformation associated with the detwinning ofαgrains in the TC4 layer induces toughening at high temperatures.展开更多
AI-driven materials databases are transforming research by integrating experimental and computational data to enhance discovery and optimization.Platforms such as Digital Catalysis Platform(DigCat)and Dynamic Database...AI-driven materials databases are transforming research by integrating experimental and computational data to enhance discovery and optimization.Platforms such as Digital Catalysis Platform(DigCat)and Dynamic Database of Solid-State Electrolyte(DDSE)demonstrate how machine learning and predictive modeling can improve catalyst and solid-state electrolyte development.These databases facilitate data standardization,high-throughput screening,and cross-disciplinary collaboration,addressing key challenges in materials informatics.As AI techniques advance,materials databases are expected to play an increasingly vital role in accelerating research and innovation.展开更多
Controlling surface chemistry is critically important for improving the initial Coulombic efficiency(ICE)and adsorption capacity of hard carbon anode used in Li/Na/K-ion batteries.However,accurately identifying the ty...Controlling surface chemistry is critically important for improving the initial Coulombic efficiency(ICE)and adsorption capacity of hard carbon anode used in Li/Na/K-ion batteries.However,accurately identifying the types and concentrations of hydrogen/oxygen terminated functional groups(HTFG/OTFGs)and distinguishing their functionalities remain challenge.Herein,we quantitatively investigated the surface chemistry on hard carbon via ultra-high temperature programed desorption measurements,and uncovered the role of HTFG/OTFGs in influencing ICE and adsorption capacity in Li/Na/K-ions cells.The C-H group is found to be dominant species on the surface of hard carbon,and presents a positive correlation with ICE values and adsorption capacity.The low reactivity of C-H group with both electrolyte salt and solvent results in the formation of thinner and highly conducive solid electrolyte interphase(SEI)layer,which benefit for the enhanced ICE and improved Li/Na/K-ions diffusion across SEI layer.Additionally,the pimping trapping effect of C-H groups allows the adsorbed Li/Na/K-ions to migrate into graphitic interlayer quickly,enhancing the slope capacity.By fabricating a C-H group-rich surface chemistry on hard carbon,a high ICE value and satisfactory specific capacity have been realized.These findings enrich our understanding of the surface chemistry-induced interfacial reaction,which effectively guides the rational design of high-performance hard carbon.展开更多
Machine learning(ML)has become a powerful tool for accelerating the design and development of new materials.Among various traditional ML algorithms,decision tree-based ensemble learning methods are frequently chosen f...Machine learning(ML)has become a powerful tool for accelerating the design and development of new materials.Among various traditional ML algorithms,decision tree-based ensemble learning methods are frequently chosen for their strong predictive capabilities.However,decision trees are limited in regression tasks to interpolating within the data range of the training set,which restricts their usefulness for designing materials with enhanced properties.Herein,we focused on predicting and optimizing the L1_(2)-phase solvus temperature(T_(L12))and density,two critical properties for multi-principal-element superalloys(MPESAs).To achieve this,we employed the piecewise symbolic regression tree(PS-Tree),which demonstrates excellent extrapolation capability.Our model successfully predicted high T_(L12)values exceeding the training data range(1242℃),with four candidate alloys achieving TL12values of 1246,1249,1254,and 1274℃.Experimental validation confirmed the accuracy of these predictions,verifying the robust extrapolative capability of the PS-Tree method.Notably,one alloy exhibited a T_(L12)of 1267℃and a density of 7.94 g cm^(-3),outperforming most MPESAs.Additionally,another alloy exhibited a compressive yield strength of 897 MPa at 750℃,with a specific yield strength at this temperature higher than that of most L1_(2)-strengthened alloys and Co/Ni-based superalloys.Moreover,the model provided generalized insights,indicating that alloys with δ_(r)>5.3 and ΔH_(mix)<-12.8 J mol^(-1)K^(-1)tend to favor higher T_(L12).展开更多
Face-centered cubic(FCC)equi-atomic multi-principal element alloys(MPEAs)exhibit excellent mechan-ical properties over a broad temperature range from cryogenic temperatures(CTs)to room temperature(RT).Specifically,whi...Face-centered cubic(FCC)equi-atomic multi-principal element alloys(MPEAs)exhibit excellent mechan-ical properties over a broad temperature range from cryogenic temperatures(CTs)to room temperature(RT).Specifically,while the deformation mechanism is dominated solely by dislocation slip at RT,the re-duction in stacking fault energy(SFE)at CTs leads to enhanced strain hardening with deformation twin-ning.This study employs in-situ neutron diffraction to reveal the temperature-dependent deformation be-havior of the FCC/body-centered cubic(BCC)dual-phase(DP)Al7(CoNiV)93 medium-entropy alloy(MEA),which possesses a matrix exhibiting deformation behavior analogous to that of representative equi-atomic MPEAs.Alongside the increased lattice friction stress associated with reduced temperature as a thermal component,deformation twinning at liquid nitrogen temperature(LNT)facilitates dislocation activity in the FCC matrix,leading to additional strain hardening induced by the dynamic Hall-Petch effect.This would give the appearance that the improved strengthening/hardening behaviors at LNT,compared to RT,are primarily attributable to the FCC phase.In contrast,the BCC precipitates are governed solely by dislocation slip for plastic deformation at both 77 K and 298 K,exhibiting a similar trend in dislocation density evolution.Nevertheless,empirical and quantitative findings indicate that the intrinsically high Peierls-Nabarro barriers in the BCC precipitates exhibit pronounced temperature-dependent lattice fric-tion stress,suggesting that the BCC precipitates play a more significant role in the temperature-dependent strengthening/hardening behaviors for the DP-MEA.This study provides a comprehensive understanding of deformation behavior by thoroughly analyzing temperature-dependent strengthening/hardening mech-anisms across various DP-MPEA systems,offering valuable guidelines for future alloy design.展开更多
This study demonstrated the potential for customizing the desired properties of the Co_(18.5)Cr_(12)Fe_(55)Ni_(9)Mo_(3.5)C_(2)(at.%)ferrous medium-entropy alloy by manipulating the deformation-induced martensite trans...This study demonstrated the potential for customizing the desired properties of the Co_(18.5)Cr_(12)Fe_(55)Ni_(9)Mo_(3.5)C_(2)(at.%)ferrous medium-entropy alloy by manipulating the deformation-induced martensite transformation(DIMT)behavior at liquid nitrogen temperature.This was achieved by modifying various initial microstructures through annealing at temperatures ranging from 900 to 1200℃.The variations in DIMT kinetics were analyzed based on two main factors.(1)Inducing carbide precipitation by annealing at 900 and 1000°C results in changes in the composition within the matrix,which may affect the stability of the face-centered cubic phase.Samples with a higher volume fraction of the carbide precipitates exhibit lower-GFCC→BCC and faster DIMT kinetics.(2)The onset and kinetics of DIMT are also affected by the use of martensite nucleation sites,which may vary depending on the presence of non-recrystallized regions or the grain size.In fine-grained structures,martensite primarily nucleated in the non-recrystallized regions and grain boundaries.However,in coarse-grained microstructures,martensite mainly nucleated along the in-grain shear bands and their intersections.This precise control of the microstructure results in superior properties.The samples annealed at 900 and 1000°C with carbide precipitates and fine grains exhibit ultrahigh ultimate tensile strength,which may reach elevated values up to∼1.8 GPa,while those annealed at 1100 and 1200°C with larger grains and no precipitates exhibit a uniform elongation that exceeds 100%.展开更多
This study investigates how hetero-zone boundaries between soft and hard regions affect strain incom-patibility and hetero-deformation-induced(HDI)strengthening in heterostructured metallic materials.We focused on Cu-...This study investigates how hetero-zone boundaries between soft and hard regions affect strain incom-patibility and hetero-deformation-induced(HDI)strengthening in heterostructured metallic materials.We focused on Cu-based alloy(C194)/stainless steel(SS304)clad materials,featuring distinct soft and hard domains separated by a single boundary,to quantify the HDI strengthening.Despite the typical strain incompatibility caused by mechanical incompatibility at the boundary,the precise microstructural char-acteristics remain unclear.To address this,we varied the initial grain sizes of C194 while keeping the grain size of SS304 constant to explore a relation between strain incompatibility and HDI strengthening.Our results show that HDI strengthening is not directly proportional to the mechanical incompatibility at the C194/SS304 boundary.Additionally,this hetero-zone boundary induces two stages of HDI strength-ening during uniform elongation,driven by newly generatedα’-martensite due to the TRIP effect.These analyses,supported by both experimental and computational methods,correlate with the evolution of geometrically necessary dislocations at the hetero-zone boundaries.Our findings offer valuable guidance for designing hetero-zone boundaries by considering microstructural features such as grain sizes of each interior component and shapes/morphologies/volume fractions of hetero-zones.展开更多
Metal additive manufacturing(MAM)enables near-net shape production of components with minimized waste and excellent mechanical performance based on multi-scale microstructural heterogeneity.Espe-cially,the dislocation...Metal additive manufacturing(MAM)enables near-net shape production of components with minimized waste and excellent mechanical performance based on multi-scale microstructural heterogeneity.Espe-cially,the dislocation cell network that often bears elemental segregation or precipitation of a secondary phase contributes to enhancing the strength of additively manufactured materials.The cell boundaries can also act as active nucleation sites for the formation of precipitates under post-MAM heat treatment,as the chemical heterogeneity and profuse dislocations generate a driving force for precipitation.In this work,we subjected a Co_(18)Cr_(15)Fe_(50)Ni_(10)Mo_(6.5)C_(0.5)(at%)medium-entropy alloy fabricated by laser powder bed fusion(LPBF)to post-LPBF annealing at 900℃for 10 min.Microstructural investigation revealed that the cell boundaries of the as-built sample,which were decorated by Mo segregation,are replaced byμphase andM_(6)C typecarbide precipitatesduringannealingwhile thegrainstructureand sizeremain unaffected,indicating that the post-LPBF annealing delivered the proper amount of heat input to alter only the cell structure.The yield strength slightly decreased with annealing due to a reduction in the strengthening effect by the cell boundaries despite an increased precipitation strengthening effect.How-ever,the post-LPBF annealing improved the strain hardenability and the ultimate tensile strength was enhanced from∼1.02 to∼1.15 GPa owing to reinforced back stress hardening by the increased disloca-tion pile-up at the precipitates.Our results suggest that the cell structure with chemical heterogeneity can be successfully controlled by careful post-MAM heat treatment to tailor the mechanical performance,while also providing insight into alloy design for additive manufacturing.展开更多
The phase metastability and precipitation are now considered to be an important strategy in designing Fe-rich high entropy alloys(HEAs).In this study,the influence of silicon addition on the initial and straininduced ...The phase metastability and precipitation are now considered to be an important strategy in designing Fe-rich high entropy alloys(HEAs).In this study,the influence of silicon addition on the initial and straininduced microstructure evolution and related mechanical property of Fe52−xMn27Cr15Co6Six(x=0,0.3,0.5,1.0,1.5,at.%)HEAs was systematically investigated by utilizing the in-depth microstructural characterization coupled with X-ray diffractometer(XRD),secondary electron microscopy(SEM),and transmission electron microscopy(TEM).The addition of Si to Fe52−xMn27Cr15Co6Six HEAs facilitates the triplex structure consisting of fcc-γmatrix,thermally-inducedε-martensite and sigma phase(σ).The lattice distortion energy by Si atoms is suggested to promote the formation ofσphase consisting of Cr,Si and Co and consequently influence the metastability of the matrix.In 0.3 at.%Si HEA,the strain-induced bodycentered tetragonal(bct)-typeα’-martensite were observed at the intersection of bi-directional straininducedε-martensite laths,enhancing the ultimate tensile strength to∼851 MPa from∼618.3 MPa with ductility increment(∼73.1%from∼71%).In 0.3 at.%Si and 0.5 at.%Si alloys,the granular-typeσphase was observed both at grain boundaries and in grain interior,and the size of granular-typeσphase at grain boundary and intra-granularσphase were found to be similar.The deformation mode altered from the transformation-induced plasticity(TRIP)to twinning-induced plasticity(TWIP)with an increase of Si content to 1.5 at.%,due to the enhanced fcc-γstability induced by the compositional modulation driven by increasedσphase formation.The propagation of microcracks inside brittleσphase could be suppressed by homogeneous slip through strain-induced martensite transformation(SIMT)in HEAs with low Si addition of 0.3at.%-0.5 at.%.展开更多
Medium-entropy alloys(MEAs)have garnered significant interest due to their unique mechanical prop-erties,but phase instabilities such as the formation of brittle sigma(σ)phase during annealing pose challenges to thei...Medium-entropy alloys(MEAs)have garnered significant interest due to their unique mechanical prop-erties,but phase instabilities such as the formation of brittle sigma(σ)phase during annealing pose challenges to their practical application.This study investigates the microstructural evolution and me-chanical behavior of an 80%cold-rolled Fe_(45)Co_(35)Cr_(10)V_(10)MEA that was isochronally annealed between 100℃ and 900℃ for 300 s and characterized using hardness indentations,in-situ X-ray diffraction,and thermodynamic calculations,with high-resolution electron microscopy detailing microstructural evo-lution at 625℃,675℃,and 725℃.The results show increases in Vickers hardness between 500℃ and 625℃,attributed to the nucleation of a Cr-and V-rich sigma(σ)phase,primarily at the bcc grain boundaries.Beyond 625℃,the hardness decreased due toσ-phase dissolution,recovery of bcc and fcc phases,bcc→fcc phase reversion,and recrystallization of the reverted fcc phase.Scanning-transmission electron microscopy and transmission Kikuchi diffraction revealed a Kurdjumov-Sachs orientation rela-tionship(OR)at 675℃ and a near Nishiyama-Wassermann OR at 725℃ for bcc-fcc interfaces,whereas bcc-σand fcc-σinterfaces showed no dominant OR.In addition toσphase,two types of bcc phase were identified at 625℃.Type 1 bcc initially retained a near-nominal composition and a disordered crystal structure from deformation-induced bcc martensite but gradually became Fe-enriched and Cr-and V-depleted up to 725℃.In contrast,Type 2 bcc phase was Fe-depleted and Co-enriched at 625℃ but dis-appeared at 675℃,coinciding with the onset of bcc→fcc phase reversion.This phase also exhibited B2-like chemical short-range ordering,with alternating FeCo-rich and CrV-rich domains.This study provides insights into the complex phase transformation occurring between 500℃ and 725℃ in a Fe_(45)Co_(35)Cr_(10)V_(10)MEA,which can be leveraged to design alloys with optimized mechanical properties for practical appli-cations.展开更多
Complex hydride materials have been widely investigated as potential solid electrolytes because they have good compatibility with the lithium metal anodes used in all-solid-state batteries. However, the development of...Complex hydride materials have been widely investigated as potential solid electrolytes because they have good compatibility with the lithium metal anodes used in all-solid-state batteries. However, the development of all-solid-state batteries utilizing complex hydrides has been difficult as these cells tend to have short cycle lives. This study investigated the capacity fading mechanism of all-solid-state lithium–sulfur(Li–S) batteries using Li4(BH4)3I solid electrolytes by analyzing the cathode microstructure. Crosssectional scanning electron microscopy observations after 100 discharge–charge cycles revealed crack formation in the Li4(BH4)3I electrolyte and an increased cathode thickness. Raman spectroscopy indicated that decomposition of the Li4(BH4)3I solid electrolyte occurred at a constant rate during the cycling tests.To combat these effects, the cycle life of Li–S batteries was improved by increasing the amount of solid electrolyte in the cathode.展开更多
All-solid-state batteries(ASSBs)are a class of safer and higher-energy-density materials compared to conventional devices,from which solid-state electrolytes(SSEs)are their essential components.To date,investigations ...All-solid-state batteries(ASSBs)are a class of safer and higher-energy-density materials compared to conventional devices,from which solid-state electrolytes(SSEs)are their essential components.To date,investigations to search for high ion-conducting solid-state electrolytes have attracted broad concern.However,obtaining SSEs with high ionic conductivity is challenging due to the complex structural information and the less-explored structure-performance relationship.To provide a solution to these challenges,developing a database containing typical SSEs from available experimental reports would be a new avenue to understand the structureperformance relationships and find out new design guidelines for reasonable SSEs.Herein,a dynamic experimental database containing>600 materials was developed in a wide range of temperatures(132.40–1261.60 K),including mono-and divalent cations(e.g.,Li^(+),Na^(+),K^(+),Ag^(+),Ca^(2+),Mg^(2+),and Zn^(2+))and various types of anions(e.g.,halide,hydride,sulfide,and oxide).Data-mining was conducted to explore the relationships among different variates(e.g.,transport ion,composition,activation energy,and conductivity).Overall,we expect that this database can provide essential guidelines for the design and development of high-performance SSEs in ASSB applications.This database is dynamically updated,which can be accessed via our open-source online system.展开更多
Centimeter-sized Mg_(65)Zn_(30)Ca_(5)bulk amorphous alloys were fabricated by the spark plasma sintering process from the amorphous powders with a size smaller than 5 la m prepared by ball-milling.The sintered Mg65Zn3...Centimeter-sized Mg_(65)Zn_(30)Ca_(5)bulk amorphous alloys were fabricated by the spark plasma sintering process from the amorphous powders with a size smaller than 5 la m prepared by ball-milling.The sintered Mg65Zn30Ca5 samples were in an amorphous state when the spark plasma sintering was performed at a temperature of 383 K under a pressure of 600 MPa.The data of polarization curves presented that the sintered Mg_(65)Zn_(30)Ca_(5)bulk amorphous alloys exhibited higher corrosion resistance than pure Mg and AZ31B alloy owing to high content of Zn and homogeneous structure.A calcium phosphate compound layer was formed on the sintered Mg_(65)Zn_(30)Ca_(5)bulk amorphous sample after immersion in Hanks'solution,which is effective in improving corrosion resistance and bioactivity.The sintered MgZnCa bulk amorphous alloys with large dimensions broaden the potential application of bulk amorphous alloys in the biomedical fields.展开更多
We report the lithium ionic conductivities of closo –type complex hydrides synthesized from various molar ratios of lithium borohydride(LiBH4) and decaborane(B10H14) as starting materials. The prepared closo –type c...We report the lithium ionic conductivities of closo –type complex hydrides synthesized from various molar ratios of lithium borohydride(LiBH4) and decaborane(B10H14) as starting materials. The prepared closo –type complex hydrides comprised [B12H12]^2-, [B11H11]^2-, and [B10H10]^2- complex anions. In addition, increasing the LiBH4 content in the starting materials increased the amounts of [B11H11]^2- and [B10H10]^2-, leading to an improved ion conductivity of the prepared sample. The present study offers useful insights into strategies for controlling the complex anion composition in emerging solid electrolytes of closo-type complex hydrides at the molecular level, and improving their ionic conductivities.展开更多
We report on an all-solid-state battery that employs a closo-type complex hydride solid electrolyte and a LiCoO2 cathode.Interfacial modification between the solid electrolyte and cathode with a LiNbO3 buffer layer en...We report on an all-solid-state battery that employs a closo-type complex hydride solid electrolyte and a LiCoO2 cathode.Interfacial modification between the solid electrolyte and cathode with a LiNbO3 buffer layer enables reversible charge-discharge cycling with a cell voltage of 3.9V (vs.Li^+/Li) at room temperature.Electrochemical analyses clarify that the given modification effectively suppresses side reactions at the cathode/solid electrolyte interface.The interfacial resistance is lowered by ca.10 times with a 5 nm thick LiNbO3 buffer layer compared to that without a buffer layer,so that a discharge capacity of 109 mAh g^-1 is achieved.These results suggest that interfacial modification can be a viable approach to the development of high-voltage all-solid-state batteries using closo-type complex hydride solid electrolytes and oxide cathodes.展开更多
B and N mixed anions co-doped titania with various crystal phases such as anatase,brookite,and rutile were successfully synthesized by a hydrothermal synthesis followed by heat treatment in an ammonia gas atmosphere a...B and N mixed anions co-doped titania with various crystal phases such as anatase,brookite,and rutile were successfully synthesized by a hydrothermal synthesis followed by heat treatment in an ammonia gas atmosphere at 550-650℃(denoted as BN-Ana_x,BN-Bro_x,and BN-Rut_x,x is the treatment temperature).The colors of as-prepared BN-Ana,BN-Bro,and BN-Rut are red,yellow-green,and cyangreen,respectively.The color changing mechanism of titania was related to their various band gap structure and the existence of B-N bonding.The nitridation temperature exhibits effective color changing compared to that of nitridation time.The different phases of the mixed anion codoped titania possess different photocatalytic deNO_(x) activity.The BN-Ana and BN-Rut show poor photocatalytic deNO_(x) activity,while the BN-Bro shows excellent photocatalytic deNO_(x) activity,better than that of standard titania photocatalyst Degussa P25.The colorful titania with low-photocatalytic activity is heavy metal elements free,indicating their possible applications as nontoxic color pigments or novel cosmetic raw materials.展开更多
The synthesis of oxygen vacancies(OVs)-modified TiO_(2)under mild conditions is attractive.In this work,OVs were easily introduced in TiO_(2)lattice during the hydrothermal doping process of trivalent iron ions.Theore...The synthesis of oxygen vacancies(OVs)-modified TiO_(2)under mild conditions is attractive.In this work,OVs were easily introduced in TiO_(2)lattice during the hydrothermal doping process of trivalent iron ions.Theoretical calculations based on a novel charge-compensation structure model were employed with experimental methods to reveal the intrinsic photocatalytic mechanism of Fe-doped TiO_(2)(Fe-TiO_(2)).The OVs formation energy in Fe-TiO_(2)(1.12 eV)was only 23.6%of that in TiO_(2)(4.74 eV),explaining why Fe^(3+)doping could introduce OVs in the TiO_(2)lattice.The calculation results also indicated that impurity states introduced by Fe^(3+)and OVs enhanced the light absorption activity of TiO_(2).Additionally,charge carrier transport was investigated through the carrier lifetime and relative mass.The carrier lifetime of Fe-TiO_(2)(4.00,4.10,and 3.34 ns for 1at%,2at%,and 3at%doping contents,respectively)was longer than that of undoped TiO_(2)(3.22 ns),indicating that Fe^(3+) and OVs could promote charge carrier separation,which can be attributed to the larger relative effective mass of electrons and holes.Herein,Fe-TiO_(2)has higher photocatalytic indoor NO removal activity compared with other photocatalysts because it has strong light absorption activity and high carrier separation efficiency.展开更多
The Dynamic Database of Solid-State Electrolyte(DDSE)is an advanced online platform offering a comprehensive suite of tools for solid-state battery research and development.Its key features include statistical analysi...The Dynamic Database of Solid-State Electrolyte(DDSE)is an advanced online platform offering a comprehensive suite of tools for solid-state battery research and development.Its key features include statistical analysis of both experimental and computational solid-state electrolyte(SSE)data,interactive visualization through dynamic charts,user data assessment,and literature analysis powered by a large language model.By facilitating the design and optimization of novel SSEs,DDSE serves as a critical resource for advancing solid-state battery technology.This Technical Report provides detailed tutorials and practical examples to guide users in effectively utilizing the platform.展开更多
文摘Large interfacial strains in particles are crucial for promoting bonding in cold spraying(CS),initiated either by adiabatic shear instability(ASI)due to softening prevailing over strain hardening or by hydrostatic plasticity,which is claimed to promote bonding even without ASI.A thorough microstructural analysis is vital to fully understand the bonding mechanisms at play during microparticle impacts and throughout the CS process.In this study,the HEA CoCrFeMnNi,known for its relatively high strain hardening and resistance to softening,was selected to investigate the microstructure characteristics and bonding mech-anisms in CS.This study used characterization techniques covering a range of length scales,including electron channeling contrast imaging(ECCI),electron backscatter diffraction(EBSD),and high-resolution transmission microscopy(HR-TEM),to explore the microstructure characteristics of bonding and overall structure development of CoCrFeMnNi microparticles after impact in CS.HR-TEM lamellae were prepared using focused ion beam milling.Additionally,the effects of deformation field variables on microstructure development were determined through finite element modeling(FEM)of microparticle impacts.The ECCI,EBSD,and HR-TEM analyses revealed an interplay between dislocation-driven processes and twinning,leading to the development of four distinct deformation microstructures.Significant grain refinement occurs at the interface through continuous dynamic recrystallization(CDRX)due to high strain and temperature rise from adiabatic deformation,signs of softening,and ASI.Near the interface,a necklace-like structure of refined grains forms around grain boundaries,along with elongated grains,resulting from the coexistence of dynamic recovery and discontinuous dynamic recrystallization(DDRX)due to lower temperature rise and strain.Towards the particle or substrate interior,concurrent twinning and dislocation-mediated mechanisms refine the structure,forming straight,curved,and intersected twins.At the top of the particles,only deformed grains with a low dislocation density are observed.Our results showed that DRX induces microstructure softening in highly strained interface areas,facilitating atomic bonding in CoCrFeMnNi.HR-TEM investigation confirms the formation of atomic bonds between particles and substrate,with a gradual change in crystal lattice orientation from the particle to the substrate and the occurrence of some misfit dislocations and vacancies at the interface.Finally,the findings of this research suggest that softening and ASI,even in materials resistant to softening,are required to establish bonding in CS.
基金financially supported by the Natural Science Foundation of Changsha,China(No.kq2402015)the National Research Foundation of Korea(NRF)grant funded by the Korea government(MSIP)(Nos.NRF-2021R1A2C3006662 and NRF-2022R1A5A1030054)supported by Brain Pool Program through the NRF of Korea,funded by the Ministry of Science and ICT(No.NRF-RS_(2)02300263999)
文摘Lightweight,high-strength,and heat-resistant protective structures have consistently been crucial for applications in extreme environments,such as aerospace,semiconductors,and nuclear power industries.Multilayered TC4/TB8 titanium(Ti)laminates,inspired by theheterostructures of natural biological shells,were fabricated using a hybrid diffusion bonding-hot rolling process followed by an aging treatment,resulting in an architected micro structure.The laminate achieves an ultra-high yield stress of 1020 MPa and proper uniform elongation of 4.2%at 500℃.The TB8 layers with high-density nano-precipitates and dislocations act as hard zone,contributing to high strength.The TC4 layers,with their bimodal structure consisting of coarse and fine grains characterized by equiaxed and lamellar structures,experience more plastic strain than the TB8 layers.The hetero deformation associated with the detwinning ofαgrains in the TC4 layer induces toughening at high temperatures.
文摘AI-driven materials databases are transforming research by integrating experimental and computational data to enhance discovery and optimization.Platforms such as Digital Catalysis Platform(DigCat)and Dynamic Database of Solid-State Electrolyte(DDSE)demonstrate how machine learning and predictive modeling can improve catalyst and solid-state electrolyte development.These databases facilitate data standardization,high-throughput screening,and cross-disciplinary collaboration,addressing key challenges in materials informatics.As AI techniques advance,materials databases are expected to play an increasingly vital role in accelerating research and innovation.
基金financially supported by the National Key Research and Development Program of China(2022YFE0206300)the National Natural Science Foundation of China(U21A2081,22075074,22209047)+4 种基金the National College Students Innovation and Entrepreneurship Training Program(S202410532594,S202410532357)the Macao Science and Technology Development Fund(File No.0013/2021/AMJ)the Foundation of Yuelushan Center for Industrial Innovation(2023YCII0119)JST SICORP(JPMJSC2112)JST PRESTO(JPMJPR23QA)。
文摘Controlling surface chemistry is critically important for improving the initial Coulombic efficiency(ICE)and adsorption capacity of hard carbon anode used in Li/Na/K-ion batteries.However,accurately identifying the types and concentrations of hydrogen/oxygen terminated functional groups(HTFG/OTFGs)and distinguishing their functionalities remain challenge.Herein,we quantitatively investigated the surface chemistry on hard carbon via ultra-high temperature programed desorption measurements,and uncovered the role of HTFG/OTFGs in influencing ICE and adsorption capacity in Li/Na/K-ions cells.The C-H group is found to be dominant species on the surface of hard carbon,and presents a positive correlation with ICE values and adsorption capacity.The low reactivity of C-H group with both electrolyte salt and solvent results in the formation of thinner and highly conducive solid electrolyte interphase(SEI)layer,which benefit for the enhanced ICE and improved Li/Na/K-ions diffusion across SEI layer.Additionally,the pimping trapping effect of C-H groups allows the adsorbed Li/Na/K-ions to migrate into graphitic interlayer quickly,enhancing the slope capacity.By fabricating a C-H group-rich surface chemistry on hard carbon,a high ICE value and satisfactory specific capacity have been realized.These findings enrich our understanding of the surface chemistry-induced interfacial reaction,which effectively guides the rational design of high-performance hard carbon.
基金financially supported by the National Natural Science Foundation of China(Nos.52371007 and 52301042)the National Key R&D Program of China(No.2020YFB0704503)+2 种基金Shenzhen Science and Technology Program(No.SGDX20210823104002016)Guangdong Basic and Applied Basic Research Foundation(No.2021B1515120071)Shenzhen Basic Research Project(No.JCYJ20241202123504007)
文摘Machine learning(ML)has become a powerful tool for accelerating the design and development of new materials.Among various traditional ML algorithms,decision tree-based ensemble learning methods are frequently chosen for their strong predictive capabilities.However,decision trees are limited in regression tasks to interpolating within the data range of the training set,which restricts their usefulness for designing materials with enhanced properties.Herein,we focused on predicting and optimizing the L1_(2)-phase solvus temperature(T_(L12))and density,two critical properties for multi-principal-element superalloys(MPESAs).To achieve this,we employed the piecewise symbolic regression tree(PS-Tree),which demonstrates excellent extrapolation capability.Our model successfully predicted high T_(L12)values exceeding the training data range(1242℃),with four candidate alloys achieving TL12values of 1246,1249,1254,and 1274℃.Experimental validation confirmed the accuracy of these predictions,verifying the robust extrapolative capability of the PS-Tree method.Notably,one alloy exhibited a T_(L12)of 1267℃and a density of 7.94 g cm^(-3),outperforming most MPESAs.Additionally,another alloy exhibited a compressive yield strength of 897 MPa at 750℃,with a specific yield strength at this temperature higher than that of most L1_(2)-strengthened alloys and Co/Ni-based superalloys.Moreover,the model provided generalized insights,indicating that alloys with δ_(r)>5.3 and ΔH_(mix)<-12.8 J mol^(-1)K^(-1)tend to favor higher T_(L12).
基金supported by the National Research Foundation of Korea(NRF)grant funded by the Korean government(MSIP)(Nos.NRF-2021R1A2C3006662,NRF-2022R1A5A1030054,and RS-2023-00281246)supported by the Basic Science Research Program‘Fostering the Next Generation of Researchers(Ph.D.Candidate)’through the NRF funded by the Ministry of Edu-cation(No.RS-2023-00275651).
文摘Face-centered cubic(FCC)equi-atomic multi-principal element alloys(MPEAs)exhibit excellent mechan-ical properties over a broad temperature range from cryogenic temperatures(CTs)to room temperature(RT).Specifically,while the deformation mechanism is dominated solely by dislocation slip at RT,the re-duction in stacking fault energy(SFE)at CTs leads to enhanced strain hardening with deformation twin-ning.This study employs in-situ neutron diffraction to reveal the temperature-dependent deformation be-havior of the FCC/body-centered cubic(BCC)dual-phase(DP)Al7(CoNiV)93 medium-entropy alloy(MEA),which possesses a matrix exhibiting deformation behavior analogous to that of representative equi-atomic MPEAs.Alongside the increased lattice friction stress associated with reduced temperature as a thermal component,deformation twinning at liquid nitrogen temperature(LNT)facilitates dislocation activity in the FCC matrix,leading to additional strain hardening induced by the dynamic Hall-Petch effect.This would give the appearance that the improved strengthening/hardening behaviors at LNT,compared to RT,are primarily attributable to the FCC phase.In contrast,the BCC precipitates are governed solely by dislocation slip for plastic deformation at both 77 K and 298 K,exhibiting a similar trend in dislocation density evolution.Nevertheless,empirical and quantitative findings indicate that the intrinsically high Peierls-Nabarro barriers in the BCC precipitates exhibit pronounced temperature-dependent lattice fric-tion stress,suggesting that the BCC precipitates play a more significant role in the temperature-dependent strengthening/hardening behaviors for the DP-MEA.This study provides a comprehensive understanding of deformation behavior by thoroughly analyzing temperature-dependent strengthening/hardening mech-anisms across various DP-MPEA systems,offering valuable guidelines for future alloy design.
基金supported by the Nano&Material Technology Development Program through the National Research Foundation of Korea(NRF)funded by the Ministry of Science and ICT(No.RS-2023-00281246).
文摘This study demonstrated the potential for customizing the desired properties of the Co_(18.5)Cr_(12)Fe_(55)Ni_(9)Mo_(3.5)C_(2)(at.%)ferrous medium-entropy alloy by manipulating the deformation-induced martensite transformation(DIMT)behavior at liquid nitrogen temperature.This was achieved by modifying various initial microstructures through annealing at temperatures ranging from 900 to 1200℃.The variations in DIMT kinetics were analyzed based on two main factors.(1)Inducing carbide precipitation by annealing at 900 and 1000°C results in changes in the composition within the matrix,which may affect the stability of the face-centered cubic phase.Samples with a higher volume fraction of the carbide precipitates exhibit lower-GFCC→BCC and faster DIMT kinetics.(2)The onset and kinetics of DIMT are also affected by the use of martensite nucleation sites,which may vary depending on the presence of non-recrystallized regions or the grain size.In fine-grained structures,martensite primarily nucleated in the non-recrystallized regions and grain boundaries.However,in coarse-grained microstructures,martensite mainly nucleated along the in-grain shear bands and their intersections.This precise control of the microstructure results in superior properties.The samples annealed at 900 and 1000°C with carbide precipitates and fine grains exhibit ultrahigh ultimate tensile strength,which may reach elevated values up to∼1.8 GPa,while those annealed at 1100 and 1200°C with larger grains and no precipitates exhibit a uniform elongation that exceeds 100%.
基金financially supported by the National Research Foundation of Korea(NRF)grant funded by the Korean government(MSIP)(NRF-2021R1A2C3006662)and(NRF-2022R1A5A1030054)Gang Hee Gu was supported by the Basic Science Research Pro-gram‘Fostering the Next Generation of Researchers(Ph.D.Candi-date)’through the NRF funded by the Ministry of Education(RS-2023-00275651).
文摘This study investigates how hetero-zone boundaries between soft and hard regions affect strain incom-patibility and hetero-deformation-induced(HDI)strengthening in heterostructured metallic materials.We focused on Cu-based alloy(C194)/stainless steel(SS304)clad materials,featuring distinct soft and hard domains separated by a single boundary,to quantify the HDI strengthening.Despite the typical strain incompatibility caused by mechanical incompatibility at the boundary,the precise microstructural char-acteristics remain unclear.To address this,we varied the initial grain sizes of C194 while keeping the grain size of SS304 constant to explore a relation between strain incompatibility and HDI strengthening.Our results show that HDI strengthening is not directly proportional to the mechanical incompatibility at the C194/SS304 boundary.Additionally,this hetero-zone boundary induces two stages of HDI strength-ening during uniform elongation,driven by newly generatedα’-martensite due to the TRIP effect.These analyses,supported by both experimental and computational methods,correlate with the evolution of geometrically necessary dislocations at the hetero-zone boundaries.Our findings offer valuable guidance for designing hetero-zone boundaries by considering microstructural features such as grain sizes of each interior component and shapes/morphologies/volume fractions of hetero-zones.
基金supported by the National Research Founda-tion of Korea(NRF)grant funded by the Korean government(MSIT)(Nos.2021R1A2C3006662 and RS-2023-00281246)supported by the Principal R&D project(contract no.PNK9950)of the Korean Institute of Materials Science(KIMS).
文摘Metal additive manufacturing(MAM)enables near-net shape production of components with minimized waste and excellent mechanical performance based on multi-scale microstructural heterogeneity.Espe-cially,the dislocation cell network that often bears elemental segregation or precipitation of a secondary phase contributes to enhancing the strength of additively manufactured materials.The cell boundaries can also act as active nucleation sites for the formation of precipitates under post-MAM heat treatment,as the chemical heterogeneity and profuse dislocations generate a driving force for precipitation.In this work,we subjected a Co_(18)Cr_(15)Fe_(50)Ni_(10)Mo_(6.5)C_(0.5)(at%)medium-entropy alloy fabricated by laser powder bed fusion(LPBF)to post-LPBF annealing at 900℃for 10 min.Microstructural investigation revealed that the cell boundaries of the as-built sample,which were decorated by Mo segregation,are replaced byμphase andM_(6)C typecarbide precipitatesduringannealingwhile thegrainstructureand sizeremain unaffected,indicating that the post-LPBF annealing delivered the proper amount of heat input to alter only the cell structure.The yield strength slightly decreased with annealing due to a reduction in the strengthening effect by the cell boundaries despite an increased precipitation strengthening effect.How-ever,the post-LPBF annealing improved the strain hardenability and the ultimate tensile strength was enhanced from∼1.02 to∼1.15 GPa owing to reinforced back stress hardening by the increased disloca-tion pile-up at the precipitates.Our results suggest that the cell structure with chemical heterogeneity can be successfully controlled by careful post-MAM heat treatment to tailor the mechanical performance,while also providing insight into alloy design for additive manufacturing.
基金financially supported by the National Research Foundation of Korea(NRF)grants funded by the Korean Govern-ment(Nos.RS-2023-00281246 and RS-2024-00398068)the grant(No.360-05-01-PNK9690)by the Department of Hydrogen Materials Evaluation at Korea Institute of Materials Science(KIMS).
文摘The phase metastability and precipitation are now considered to be an important strategy in designing Fe-rich high entropy alloys(HEAs).In this study,the influence of silicon addition on the initial and straininduced microstructure evolution and related mechanical property of Fe52−xMn27Cr15Co6Six(x=0,0.3,0.5,1.0,1.5,at.%)HEAs was systematically investigated by utilizing the in-depth microstructural characterization coupled with X-ray diffractometer(XRD),secondary electron microscopy(SEM),and transmission electron microscopy(TEM).The addition of Si to Fe52−xMn27Cr15Co6Six HEAs facilitates the triplex structure consisting of fcc-γmatrix,thermally-inducedε-martensite and sigma phase(σ).The lattice distortion energy by Si atoms is suggested to promote the formation ofσphase consisting of Cr,Si and Co and consequently influence the metastability of the matrix.In 0.3 at.%Si HEA,the strain-induced bodycentered tetragonal(bct)-typeα’-martensite were observed at the intersection of bi-directional straininducedε-martensite laths,enhancing the ultimate tensile strength to∼851 MPa from∼618.3 MPa with ductility increment(∼73.1%from∼71%).In 0.3 at.%Si and 0.5 at.%Si alloys,the granular-typeσphase was observed both at grain boundaries and in grain interior,and the size of granular-typeσphase at grain boundary and intra-granularσphase were found to be similar.The deformation mode altered from the transformation-induced plasticity(TRIP)to twinning-induced plasticity(TWIP)with an increase of Si content to 1.5 at.%,due to the enhanced fcc-γstability induced by the compositional modulation driven by increasedσphase formation.The propagation of microcracks inside brittleσphase could be suppressed by homogeneous slip through strain-induced martensite transformation(SIMT)in HEAs with low Si addition of 0.3at.%-0.5 at.%.
基金provided by the Nano and Material Technology Development Program(RS-2023-00281246)via the National Research Foundation of Korea,Ministry of Science and ICT,KoreaThe JEOL JSM-7001F,JEOL ARM 200F,and FEI Helios G3 CX FIB-SEM were funded by the Australian Research Council-Linkage,Infrastructure,Equipment and Facilities GrantsNos.LE0882613,LE120100104 andLE160100063,respectivelyThe Oxford Instruments 80 mm2 X-Max EDS detector and the JEOL JEM F200 were funded via the 2012 UOW Major Equipment Grant and 2019 UOW Equipment Replacement Grant schemes,respectively.
文摘Medium-entropy alloys(MEAs)have garnered significant interest due to their unique mechanical prop-erties,but phase instabilities such as the formation of brittle sigma(σ)phase during annealing pose challenges to their practical application.This study investigates the microstructural evolution and me-chanical behavior of an 80%cold-rolled Fe_(45)Co_(35)Cr_(10)V_(10)MEA that was isochronally annealed between 100℃ and 900℃ for 300 s and characterized using hardness indentations,in-situ X-ray diffraction,and thermodynamic calculations,with high-resolution electron microscopy detailing microstructural evo-lution at 625℃,675℃,and 725℃.The results show increases in Vickers hardness between 500℃ and 625℃,attributed to the nucleation of a Cr-and V-rich sigma(σ)phase,primarily at the bcc grain boundaries.Beyond 625℃,the hardness decreased due toσ-phase dissolution,recovery of bcc and fcc phases,bcc→fcc phase reversion,and recrystallization of the reverted fcc phase.Scanning-transmission electron microscopy and transmission Kikuchi diffraction revealed a Kurdjumov-Sachs orientation rela-tionship(OR)at 675℃ and a near Nishiyama-Wassermann OR at 725℃ for bcc-fcc interfaces,whereas bcc-σand fcc-σinterfaces showed no dominant OR.In addition toσphase,two types of bcc phase were identified at 625℃.Type 1 bcc initially retained a near-nominal composition and a disordered crystal structure from deformation-induced bcc martensite but gradually became Fe-enriched and Cr-and V-depleted up to 725℃.In contrast,Type 2 bcc phase was Fe-depleted and Co-enriched at 625℃ but dis-appeared at 675℃,coinciding with the onset of bcc→fcc phase reversion.This phase also exhibited B2-like chemical short-range ordering,with alternating FeCo-rich and CrV-rich domains.This study provides insights into the complex phase transformation occurring between 500℃ and 725℃ in a Fe_(45)Co_(35)Cr_(10)V_(10)MEA,which can be leveraged to design alloys with optimized mechanical properties for practical appli-cations.
基金JSPS KAKENHI(Early-Career Scientists[grant numbers 19K15305,19K15666]Grants-in-Aid for Scientific Research on Innovative Areas“Hydrogenomics”[grant number JP18H05513])supported by the Core Research Clusters for Materials Science and Advanced Target Project–2 of WPI–AIMR,from Tohoku University。
文摘Complex hydride materials have been widely investigated as potential solid electrolytes because they have good compatibility with the lithium metal anodes used in all-solid-state batteries. However, the development of all-solid-state batteries utilizing complex hydrides has been difficult as these cells tend to have short cycle lives. This study investigated the capacity fading mechanism of all-solid-state lithium–sulfur(Li–S) batteries using Li4(BH4)3I solid electrolytes by analyzing the cathode microstructure. Crosssectional scanning electron microscopy observations after 100 discharge–charge cycles revealed crack formation in the Li4(BH4)3I electrolyte and an increased cathode thickness. Raman spectroscopy indicated that decomposition of the Li4(BH4)3I solid electrolyte occurred at a constant rate during the cycling tests.To combat these effects, the cycle life of Li–S batteries was improved by increasing the amount of solid electrolyte in the cathode.
基金supported by the Ensemble Grant for Early Career Researchers 2022 and the 2023 Ensemble Continuation Grant of Tohoku University,the Hirose Foundation,the Iwatani Naoji Foundation,and the AIMR Fusion Research Grantsupported by JSPS KAKENHI Nos.JP23K13599,JP23K13703,JP22H01803,and JP18H05513+2 种基金the Center for Computational Materials Science,Institute for Materials Research,Tohoku University for the use of MASAMUNEIMR(Nos.202212-SCKXX0204 and 202208-SCKXX-0212)the Institute for Solid State Physics(ISSP)at the University of Tokyo for the use of their supercomputersthe China Scholarship Council(CSC)fund to pursue studies in Japan.
文摘All-solid-state batteries(ASSBs)are a class of safer and higher-energy-density materials compared to conventional devices,from which solid-state electrolytes(SSEs)are their essential components.To date,investigations to search for high ion-conducting solid-state electrolytes have attracted broad concern.However,obtaining SSEs with high ionic conductivity is challenging due to the complex structural information and the less-explored structure-performance relationship.To provide a solution to these challenges,developing a database containing typical SSEs from available experimental reports would be a new avenue to understand the structureperformance relationships and find out new design guidelines for reasonable SSEs.Herein,a dynamic experimental database containing>600 materials was developed in a wide range of temperatures(132.40–1261.60 K),including mono-and divalent cations(e.g.,Li^(+),Na^(+),K^(+),Ag^(+),Ca^(2+),Mg^(2+),and Zn^(2+))and various types of anions(e.g.,halide,hydride,sulfide,and oxide).Data-mining was conducted to explore the relationships among different variates(e.g.,transport ion,composition,activation energy,and conductivity).Overall,we expect that this database can provide essential guidelines for the design and development of high-performance SSEs in ASSB applications.This database is dynamically updated,which can be accessed via our open-source online system.
基金financially supported by the Natural Science Foundation of China under Grant No.51301091the Natural Science Foundation of Jiangsu Province Grant No.BK20151536+1 种基金the Fundamental Research Funds for the Central Universities No.AE16001the Advanced Materials Development and Integration of Novel Structured Metallic and Inorganic Materials from the Ministry of Education,Sport,Culture,Science and Technology,Japan
文摘Centimeter-sized Mg_(65)Zn_(30)Ca_(5)bulk amorphous alloys were fabricated by the spark plasma sintering process from the amorphous powders with a size smaller than 5 la m prepared by ball-milling.The sintered Mg65Zn30Ca5 samples were in an amorphous state when the spark plasma sintering was performed at a temperature of 383 K under a pressure of 600 MPa.The data of polarization curves presented that the sintered Mg_(65)Zn_(30)Ca_(5)bulk amorphous alloys exhibited higher corrosion resistance than pure Mg and AZ31B alloy owing to high content of Zn and homogeneous structure.A calcium phosphate compound layer was formed on the sintered Mg_(65)Zn_(30)Ca_(5)bulk amorphous sample after immersion in Hanks'solution,which is effective in improving corrosion resistance and bioactivity.The sintered MgZnCa bulk amorphous alloys with large dimensions broaden the potential application of bulk amorphous alloys in the biomedical fields.
基金supported by METX,JSPS KAKENHI (Grant numbers, 16K0 676 6, 17H0 6519, 17K18972, 18H01727, and JP18H05513)Collaborative Research Center on Energy Materials in IMR (E-IMR)Target Project 4 of WPI-AIMR, Tohoku University
文摘We report the lithium ionic conductivities of closo –type complex hydrides synthesized from various molar ratios of lithium borohydride(LiBH4) and decaborane(B10H14) as starting materials. The prepared closo –type complex hydrides comprised [B12H12]^2-, [B11H11]^2-, and [B10H10]^2- complex anions. In addition, increasing the LiBH4 content in the starting materials increased the amounts of [B11H11]^2- and [B10H10]^2-, leading to an improved ion conductivity of the prepared sample. The present study offers useful insights into strategies for controlling the complex anion composition in emerging solid electrolytes of closo-type complex hydrides at the molecular level, and improving their ionic conductivities.
基金supported by JSPS KAKENHI(Grant-in-Aid for Research Activity Start-up 17H06519)Grant-in-Aid for Early-Career Scientists(19K15666)+2 种基金Grant-in-Aid for Scientific Research on Innovative Areas“Hydrogenomics”(JP18H05513)the Collaborative Research Center on Energy Materials in IMR(E-IMR)Advanced Target Project-4 of WPI-AIMR,Tohoku University。
文摘We report on an all-solid-state battery that employs a closo-type complex hydride solid electrolyte and a LiCoO2 cathode.Interfacial modification between the solid electrolyte and cathode with a LiNbO3 buffer layer enables reversible charge-discharge cycling with a cell voltage of 3.9V (vs.Li^+/Li) at room temperature.Electrochemical analyses clarify that the given modification effectively suppresses side reactions at the cathode/solid electrolyte interface.The interfacial resistance is lowered by ca.10 times with a 5 nm thick LiNbO3 buffer layer compared to that without a buffer layer,so that a discharge capacity of 109 mAh g^-1 is achieved.These results suggest that interfacial modification can be a viable approach to the development of high-voltage all-solid-state batteries using closo-type complex hydride solid electrolytes and oxide cathodes.
基金supported by the KOSéCosmetology Research Foundationthe Japan Society funded the present work for the Promotion of Science (JSPS)Grant-in-Aid for Scientific Research (Nos.16H06439 and 20H00297)。
文摘B and N mixed anions co-doped titania with various crystal phases such as anatase,brookite,and rutile were successfully synthesized by a hydrothermal synthesis followed by heat treatment in an ammonia gas atmosphere at 550-650℃(denoted as BN-Ana_x,BN-Bro_x,and BN-Rut_x,x is the treatment temperature).The colors of as-prepared BN-Ana,BN-Bro,and BN-Rut are red,yellow-green,and cyangreen,respectively.The color changing mechanism of titania was related to their various band gap structure and the existence of B-N bonding.The nitridation temperature exhibits effective color changing compared to that of nitridation time.The different phases of the mixed anion codoped titania possess different photocatalytic deNO_(x) activity.The BN-Ana and BN-Rut show poor photocatalytic deNO_(x) activity,while the BN-Bro shows excellent photocatalytic deNO_(x) activity,better than that of standard titania photocatalyst Degussa P25.The colorful titania with low-photocatalytic activity is heavy metal elements free,indicating their possible applications as nontoxic color pigments or novel cosmetic raw materials.
基金supported by the BJAST High-level Innovation Team Program (No.BGS202001)the Beijing Postdoctoral Research Foundation (No.2022-ZZ-046)+3 种基金the National Natural and Science Foundation of China (No.51972026)the Japan Society for the Promotion of Science (JSPS)Grant-in-Aid for the Scientific Research (KAKENHI,Nos.16H06439 and 20H00297)the Dynamic Alliance for Open Innovations Bridging Human,Environment and Materials,the Cooperative Research Program of“Network Joint Research Center for Materials and Devices.”the scholarship granted to a visiting Ph.D.student of the Inter-University Exchange Project by the China Scholarship Council (CSC,No.201906460113)。
文摘The synthesis of oxygen vacancies(OVs)-modified TiO_(2)under mild conditions is attractive.In this work,OVs were easily introduced in TiO_(2)lattice during the hydrothermal doping process of trivalent iron ions.Theoretical calculations based on a novel charge-compensation structure model were employed with experimental methods to reveal the intrinsic photocatalytic mechanism of Fe-doped TiO_(2)(Fe-TiO_(2)).The OVs formation energy in Fe-TiO_(2)(1.12 eV)was only 23.6%of that in TiO_(2)(4.74 eV),explaining why Fe^(3+)doping could introduce OVs in the TiO_(2)lattice.The calculation results also indicated that impurity states introduced by Fe^(3+)and OVs enhanced the light absorption activity of TiO_(2).Additionally,charge carrier transport was investigated through the carrier lifetime and relative mass.The carrier lifetime of Fe-TiO_(2)(4.00,4.10,and 3.34 ns for 1at%,2at%,and 3at%doping contents,respectively)was longer than that of undoped TiO_(2)(3.22 ns),indicating that Fe^(3+) and OVs could promote charge carrier separation,which can be attributed to the larger relative effective mass of electrons and holes.Herein,Fe-TiO_(2)has higher photocatalytic indoor NO removal activity compared with other photocatalysts because it has strong light absorption activity and high carrier separation efficiency.
文摘The Dynamic Database of Solid-State Electrolyte(DDSE)is an advanced online platform offering a comprehensive suite of tools for solid-state battery research and development.Its key features include statistical analysis of both experimental and computational solid-state electrolyte(SSE)data,interactive visualization through dynamic charts,user data assessment,and literature analysis powered by a large language model.By facilitating the design and optimization of novel SSEs,DDSE serves as a critical resource for advancing solid-state battery technology.This Technical Report provides detailed tutorials and practical examples to guide users in effectively utilizing the platform.
