Effects of pressure on lattice parameters, electronic, thermodynamic and mechanical properties of the fully ordered Ti_(2)AlNb orthorhombic phase were studied using first-principles calculations based on density funct...Effects of pressure on lattice parameters, electronic, thermodynamic and mechanical properties of the fully ordered Ti_(2)AlNb orthorhombic phase were studied using first-principles calculations based on density functional theory(DFT). The bonding nature for ordering orthorhombic Ti_(2)AlNb was revealed quantitatively through the electronic structure analyzing. The external pressures play limited roles in the elastic anisotropy of the alloy due to the outstanding dynamical and mechanical stabilities under pressure. However, the shear modulus of O phase manifests anisotropic, where {010} shear planes are the easiest planes to cleave among the principal planes under all pressures.The heat capacities, volume expansions and thermal expansion coefficients were calculated using the quasi-harmonic approximation model based on the phonon dispersion curves. Meanwhile, the bulk modulus, Young’s modulus,shear modulus and the hardness are promptly enhanced under pressure. The predicted results give hints to design Ti_(2)AlNb-based alloy as high-pressure applications.展开更多
Fluoride ferrous(FeF_(2))is viewed as a promising conversion cathode material for next-generation lithiumion batteries(LIBs)due to its high theoretical specific capacity and low cost.Unfortunately,issues such as poor ...Fluoride ferrous(FeF_(2))is viewed as a promising conversion cathode material for next-generation lithiumion batteries(LIBs)due to its high theoretical specific capacity and low cost.Unfortunately,issues such as poor intrinsic conductivity,iron dissolution,and phase separation hinder the application of FeF_(2)in highenergy cathodes.Here,a pressure-induced morphology control method is designed to prepare coralloidlike FeF_(2)nanocrystals with nitrogen-rich carbon coating(c-FeF_(2)@NC).The coralloid-like interconnected crystal structure of c-FeF_(2)@NC contributes to reducing interfacial resistance and enhancing the topotactic transformation during the conversion reaction,and the nitrogen-rich carbon(NC)coating can enhance interfacial stability and kinetic performance.When used as a conversion cathode for LIBs,c-FeF_(2)@NC exhibits a high initial reversible capacity of 503.57 mA h g^(-1)and excellent cycling stability of497.61 m A h g^(-1)with a low capacity decay of 1.19%over 50 cycles at 0.1 A/g.Even at 1 A/g,a stable capacity of 263.78 mA h g^(-1)can still be retained after 200 cycles.The capability of c-FeF_(2)@NC as a conversion cathode for sodium-ion batteries(SIBs)was also evaluated to expand its field of application.Furthermore,two kinds of full batteries have been assembled by employing c-FeF_(2)@NC as cathodes and quantitative limited-Li(LLi)and pre-lithiated reduced graphene oxide(PGO)as anodes,respectively,to envisage the feasibility of practical applications of conversion materials.展开更多
Step-scheme(S-scheme)heterojunctions in photocatalysts can provide novel and practical insight on promoting photogenerated carrier separation.The latter is critical in controlling the overall efficiency in one-step ph...Step-scheme(S-scheme)heterojunctions in photocatalysts can provide novel and practical insight on promoting photogenerated carrier separation.The latter is critical in controlling the overall efficiency in one-step photoexcitation systems.In this study,a nanosized BiVO_(4)/Bi_(0.6)Y_(0.4)VO_(4 )solid solution was prepared by a coprecipitation method following with hydrothermal or calcination processes.The S-scheme heterojunction was fabricated by in-situ pressure-induced transformations of bismuth vanadate from the tetragonal zircon phase to the monoclinic scheelite phase,which led to the formation of BiVO4 nanoparticles with a diameter of approximately 5 nm on the surface of BiVO_(4)/Bi_(0.6)Y_(0.4)VO_(4)/Bi_(0.6)Y_(0.4)VO_(4)with S-scheme heterojunctions showed significantly enhanced photocatalytic overall water splitting activity compared with using bare BiVO_(4)/Bi_(0.6)Y_(0.4)VO_(4).Characterization of the carrier dynamics demonstrated that a superior carrier separation through S-type heterojunctions might have caused the enhanced overall water splitting(OWS)activity.Surface photovoltage spectra and the results of selective photodeposition experiments indicated that the photogenerated holes mainly migrated to the BiVO4 nanoparticles in the heterojunction.This confirmed that the charge transfer route corresponds to an S-scheme rather than a type-II heterojunction mechanism under light illumination.This study presents a facile and efficient strategy to construct S-scheme heterojunctions through a pressure-induced phase transition.The results demonstrated that S-scheme junctions composed of different crystalline phases can boost the carrier separation capacity and eventually improve the photocatalytic OWS activity.展开更多
The mixed-valent Pb3Rh7O15 undergoes a Verwey-type transition at Tv≈180K, below which the development of Rh3＋3＋/Rh4＋4＋ charge order induces an abrupt conductor-to-insulator transition in resistivity. Here we inve...The mixed-valent Pb3Rh7O15 undergoes a Verwey-type transition at Tv≈180K, below which the development of Rh3＋3＋/Rh4＋4＋ charge order induces an abrupt conductor-to-insulator transition in resistivity. Here we investigate the effect of pressure on the Verwey-type transition of Pb3Rh7O15 by measuring its electrical resistivity under hydrostatic pressures up to 8GPa with a cubic anvil cell apparatus. We find that the application of high pressure can suppress the Verwey-type transition around 3GPa, above which a metallic state is realized at temperatures below ～70K, suggesting the melting of charge order by pressure. Interestingly, the low-temperature metallic region shrinks gradually upon further increasing pressure and disappears completely at P〉7GPa, which indicates that the charge carriers in Pb3Rh7O15 undergo a reentrant localization under higher pressures. We have constructed a temperature-pressure phase diagram for Pb3Rh7O15 and compared to that of Fe3O4, showing an archetype Verwey transition.展开更多
The electrical properties of polycrystaltine CaB6 are revealed by in-situ resistance measurements under high pressure and low temperature. Due to the existence of grain boundaries, polycrystalline CaB6 behaves with se...The electrical properties of polycrystaltine CaB6 are revealed by in-situ resistance measurements under high pressure and low temperature. Due to the existence of grain boundaries, polycrystalline CaB6 behaves with semiconducting transport properties, which is different from the semimetallic CaB6 single crystals. The temperaturedependent resistance measurement results show that before the structural phase transition at 12.3 GPa the high pressure first induces the metallization at 6.5 GPa for CAB6. Moreover, the phase diagram for CaB6 is drawn based on the investigated electric conducting properties and at least three different conducting phases are found even at moderate high pressure and low temperature, indicating that the electric nature of CaB6 is very sensitive to the environment.展开更多
A floating air weapon system(such as airborne floating mines)plays an important role in modern air defense operations.This paper focuses on aeroelastic characteristics of airborne floating mine named inflated pillow.F...A floating air weapon system(such as airborne floating mines)plays an important role in modern air defense operations.This paper focuses on aeroelastic characteristics of airborne floating mine named inflated pillow.Firstly,the dynamic deployable process of the pillow and characteristics of the local instability of the edge are studied,and the evolution mechanism of wrinkles and kinks is analyzed.Secondly,in the cruising stage,the fluid-structural-thermal coupling analysis is performed on the pillow,and the aeroelastic characteristics are studied.Thirdly,the shapepreserving effect of the inflated pillow during the“negative pressure”slow landing stage is evaluated.It is found that when the wind velocity is higher,the pillow has a collapsed instability(surface extrusion and contact),and when the wind velocity is lower,snap-through instability occurs.Finally,for the collapsed instability,a carbon fiber skeleton is added to discrete the large global collapsed fold into small local folds,thus achieving shape-preserving effect of pillow.For snapthrough instability,the critical internal pressure and different shape evolution under different wind velocity are evaluated.Through the analysis of the mechanical mechanism and control of the structural morphological evolution,it provides theoretical guidance for the application of the curved shell structure in floating air weapon system.展开更多
By means of both the theory for pressure-induced Shifts （PS） of energy spectra and the theory for shifts of energy spectra due to electron-phonon interaction （EPI）, the normal-pressure energy spectra of α and β ...By means of both the theory for pressure-induced Shifts （PS） of energy spectra and the theory for shifts of energy spectra due to electron-phonon interaction （EPI）, the normal-pressure energy spectra of α and β centers of Cr^3＋ ions for LLGG：Cr^3＋ and the PS＇s of R1 lines and U band of these centers have been calculated at 10 K, respectively. The total calculated results are in very good agreement with the experimental data. For LLGG：Cr^3＋, the pressureinduced low-high crystal-field transition and the reversal of R1-line PS take place. The pressure-dependent variation of Rmix^ei （2E - 4T2） [mixing-degree of （t2^2 （^3T1）e^4T2） and （t2^3 E） base-wavefunctions in the wavefunction of R1 state without EPI] plays a key role for the reversal of R1-line PS. The behavior of the pure electronic PS of R1 line is quite different from that of the PS of R1 line due to EPI. It is the combined effect of them that gives rise to the total PS of R1 line. The comparison between R1-line PS＇s of GSGG：Cr^3＋ and LLGG：Cr^3＋ has been made. It is found that a peak of R1-line PS appears at Rmix^ei （^2E - ^4T2） ≈ 0.08.展开更多
Motivated by the recent experimental work,the pressure-induced structural transition of well-known two-dimensional(2D)1T-Hf Te_(2)was investigated up to 50 GPa through the advanced CALYPSO structure search technique c...Motivated by the recent experimental work,the pressure-induced structural transition of well-known two-dimensional(2D)1T-Hf Te_(2)was investigated up to 50 GPa through the advanced CALYPSO structure search technique combined with the first-principles calculations.Our calculations suggested that the 1T-Hf Te_(2)will first transform to C2/m phase at 3.6 GPa with a volume reduction of 7.6%and then to P62m phase at 9.6 GPa with a volume collapse of 4.6%.The occurrences of 3D C2/m and P62m phases mainly originated from the enhanced Te-Te interlayer coupling and the drastic distortions of Hf-Te polyhedrons in P3m1 phase under compression.Concomitantly,the coordination number of Hf atoms increased from six in P3m1 to eight in C2/m and eventually to nine in P62m at elevated pressure.The metallic and semimetallic nature of C2/m and P62m phases were characterized,and the evidence of the reinforced covalent interactions of Te-Hf and Te-Te orbitals in these two novel high-pressure phases were manifested by the atom-projected electronic DOS and Bader charge.展开更多
The effects of pressure on phonon modes of ferroeleetrie tetragonal P4mm and paraelectric cubic Pm3m PbTiOa are systematically investigated by using first-principles simulations. The pressure-induced tetragonal-to-cub...The effects of pressure on phonon modes of ferroeleetrie tetragonal P4mm and paraelectric cubic Pm3m PbTiOa are systematically investigated by using first-principles simulations. The pressure-induced tetragonal-to-cubie and subsequent cubic-to-tetragonal phase transitions are the second-order transitions, which are different from the phase transitions induced by temperature [Phys. Rev. Lett. 25 （1970） 167]. As pressure increases, the lowest A1 and E modes of the tetragonal phase become softer and converge to the F1u mode of the cubic phase. As pressure further increases, the lowest Flu mode first hardens and then softens again, and finally diverges into A1 and E modes. The behaviors of optical phonon modes confirm the ferroelectric-to-paraelectric-to-ferroeleetric phase transitions.展开更多
Diamond, cubic boron nitride(c-BN), silicon(Si), and germanium(Ge), as examples of typical strong covalent materials, have been extensively investigated in recent decades, owing to their fundamental importance in mate...Diamond, cubic boron nitride(c-BN), silicon(Si), and germanium(Ge), as examples of typical strong covalent materials, have been extensively investigated in recent decades, owing to their fundamental importance in material science and industry. However, an in-depth analysis of the character of these materials' mechanical behaviors under harsh service environments, such as high pressure, has yet to be conducted. Based on several mechanical criteria, the effect of pressure on the mechanical properties of these materials is comprehensively investigated.It is demonstrated that, with respect to their intrinsic brittleness/ductile nature, all these materials exhibit ubiquitous pressure-enhanced ductility. By analyzing the strength variation under uniform deformation, together with the corresponding electronic structures, we reveal for the first time that the pressure-induced mechanical softening/weakening exhibits distinct characteristics between diamond and c-BN, owing to the differences in their abnormal charge-depletion evolution under applied strain, whereas a monotonous weakening phenomenon is observed in Si and Ge. Further investigation into dislocation-mediated plastic resistance indicates that the pressure-induced shuffle-set plane softening in diamond(c-BN), and weakening in Si(Ge), can be attributed to the reduction of antibonding states below the Fermi level, and an enhanced metallization, corresponding to the weakening of the bonds around the slipped plane with increasing pressure, respectively. These findings not only reveal the physical mechanism of pressure-induced softening/weakening in covalent materials, but also highlights the necessity of exploring strain-tunable electronic structures to emphasize the mechanical response in such covalent materials.展开更多
Hybrid organic-inorganic polymer nanocomposites incorporating organically modified montmorillonite (MMT) and ultra-high molecular weight polyethylene (UHMWPE) were examined. UHMWPE/MMT hybrid nanocomposites were prepa...Hybrid organic-inorganic polymer nanocomposites incorporating organically modified montmorillonite (MMT) and ultra-high molecular weight polyethylene (UHMWPE) were examined. UHMWPE/MMT hybrid nanocomposites were prepared using gel and pressure-induced flow(PIF) processing methods at a gel weight concentration of 8% UHMWPE with various organoclay contents (0, 0.4, 0.8, 1.2, and 1.6 parts per hundred parts). The interlayer properties of the nanocomposites were studied by transmission electron microscopy (TEM) and scanning electron microscopy (SEM). The thermal and mechanical interfacial properties of the nanocomposites were investigated through thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), dynamic mechanical analysis (DMA), and the use of a universal test machine (UTM). TEM indicates that the nanocomposites are formed upon dispersion of MMT in the polymer matrix. From the DSC, TGA, and DMA results, we find that the thermal stability of the UHMWPE nanocomposites increases as the MMT content increases. The nanocomposites show higher tensile strengths than pure UHMWPE gel sheet. These findings indicate that the interfacial and mechanical properties are improved by the addition of MMT and PIF processing.展开更多
The synthesized monoclinic（B-type） phase of Y2O3 has been investigated by in situ angle-dispersive x-ray diffraction in a diamond anvil cell up to 44 GPa at room temperature. A phase transition occurs from monoclini...The synthesized monoclinic（B-type） phase of Y2O3 has been investigated by in situ angle-dispersive x-ray diffraction in a diamond anvil cell up to 44 GPa at room temperature. A phase transition occurs from monoclinic（B-type） to hexagonal（A-type） phase at 23.5 GPa and these two phases coexist even at the highest pressure. Parameters of isothermal equation of state are V0= 69.0（1）A3, K0= 159（3） GPa, K0= 4（fixed） for the B-type phase and V0= 67.8（2） A3, K0= 156（3） GPa,K＇0= 4fixed for the A-type phase. The structural anisotropy increases with increasing pressure for both phases.展开更多
Near-infrared imaging can be used to reconstruct tissue optical properties from measurements of light propagation through tissue. But a single static image alone does not reveal much information about abnormal vascula...Near-infrared imaging can be used to reconstruct tissue optical properties from measurements of light propagation through tissue. But a single static image alone does not reveal much information about abnormal vascularization because light beams are heavily scattered and diffused by tissues, resulting in very low spatial resolution. If changes caused by re-distribution of blood volume and oxygenation level are detected, more pathophysiologic information will be revealed. The goal of this work is to understand how the pressure that is applied to the surface affects the composition of the tissue and illustrate that the pressure-induced changes are significant and that are likely dependent on the tissue composition. In this paper, we propose a novel method to make continue-wave light illuminate the vivo tissue with external pressure, using the CCD camera to acquire sequential dynamic images during the whole course. The dynamic response of the tissue to pressure modulation is carried in the intensity variations among different images. This trial can prove that the pressure can influence the blood capacity and the oxygen saturation of the tissue in near-infrared imaging. The result can be output by dynamic value curves of the light intensity, at the same time some algorithms can be used to process image sequences, accumulating continuous physiology information in the resulting images, so the blood vessels can be shown more obviously. This is very useful to the physicians for the information of the blood vessel implicates much pathology information.展开更多
Zeolitic Imidazole Frameworks(ZIFs)are widely applied in nanomedicine for their high drug loading,suitable pore size,pH-responsive drug release,and so on.However,fast drug release during circulation,unexpected toxicit...Zeolitic Imidazole Frameworks(ZIFs)are widely applied in nanomedicine for their high drug loading,suitable pore size,pH-responsive drug release,and so on.However,fast drug release during circulation,unexpected toxicity to mice major organs,undesirable long-term accumulation in the lung and even death currently hinder their in vivo biomedical applications.Herein,we report an amorphous ZIF-8(aZIF-8)with high loading of 5-Fu through pressure-induced amorphization.This nano-system avoids early drug release during circulation and provides tumor microenvironment-responsive drug release with improved in vitro cell viability,and survival rate in in vivo evaluations as compared to ZIF-8.Furthermore,aZIF-8 shows longer blood circulation and lower lung accumulation than ZIF-8 at same injected doses.Less drug release during circulation,longer blood circulation,and better biocompatibility of aZIF-8/5-Fu significantly improves its therapeutic efficacy in ECA-109 tumorbearing mouse,and result in 100%survival rate over 50 days after treatment.Therefore,aZIF-8 with favorable biocompatibility and long blood circulation is expected to be a promising nano-system for efficacious cancer therapy in vivo.展开更多
High-pressure chemistry has provided a huge boost to the development of scientific community.Pressure-induced emission(PIE)in halide perovskites is gradually showing its unique charm in both pressure sensing and optoe...High-pressure chemistry has provided a huge boost to the development of scientific community.Pressure-induced emission(PIE)in halide perovskites is gradually showing its unique charm in both pressure sensing and optoelectronic device applications.Moreover,the PIE retention of halide perovskites under ambient conditions is of great commercial value.Herein,we mainly focus on the potential applications of PIE and PIE retention in metal halide perovskites for scintillators and solid-state lighting.Based on the performance requirements of scintillator and single-component white light-emitting diodes(WLEDs),the significance of PIE and PIE retention is critically clarified,aiming to design and synthesize materials used for high-performance optoelectronic devices.This perspective not only demonstrates promising applications of PIE in the fields of scintillators and WLEDs,but also provides potential applications in display imaging and anti-counterfeiting of PIE materials.Furthermore,solving the scientific disputes that exist under ambient conditions is also simply discussed as an outlook by introducing high-pressure dimension to produce PIE.展开更多
In the compacting process of the La 0.7Sr 0.3Mn 0.9Fe 0.1O 3 nanosolids under the pressure range of 0.0-4.5 GPa, the apparent pressure-induced crystallite breaking phenomenon in these nanosolids was observed. With inc...In the compacting process of the La 0.7Sr 0.3Mn 0.9Fe 0.1O 3 nanosolids under the pressure range of 0.0-4.5 GPa, the apparent pressure-induced crystallite breaking phenomenon in these nanosolids was observed. With increasing pressure up to 4.5 GPa, the average grain size decreases by 46% while the magnetization of nanosolids decrease by 40% and their coercive increases by 35%. This kind of breaking has a close relation to the existence of oxygen deficiency in La 0.7Sr 0.3Mn 0.9Fe 0.1O 3 nanoparticles. A simple and convenient method for preparing the bulk nanosolids with a large number of clean interfaces has been suggested.展开更多
Pressure-induced legislation occasioned by media discourse is actually the result of an information deficit on the part of legislators. If legislators＇ information competency fails to meet the knowledge challenges of...Pressure-induced legislation occasioned by media discourse is actually the result of an information deficit on the part of legislators. If legislators＇ information competency fails to meet the knowledge challenges of the modem legal system and its activities, they will be powerless to resist the infiltration of media discourse. The result is that legislative activities are inextricably intertwined with the media; once a particular social issue is catapulted on to the media agenda, legislators have no choice but to fall into line, creating the phenomenon of pressure-induced legislation. The essential characteristic of law is its inherent constancy and stability, whereas pressure-induced legislation often loses the calmness, objectivity, prudence and comprehensiveness proper to law. Such legislative decision-making runs counter to the inherently rational mechanism of legislation and produces unfair and ineffective redistributive results. Pressure-induced legislation highlights the importance of information in public policy choices and institution design. It would be desirable for the whole legal system aimed at evaluating legislative performance to be introduced so as to provide legislators with a sufficient incentive to remodel their information competency and ensure the scientific nature and rationality of legislation.展开更多
Zero-dimensional(0D)hybrid metal halides are considered as promising light-emitting materials due to their unique broadband emission from self-trapped excitons(STEs).Despite substantial progress in the development of ...Zero-dimensional(0D)hybrid metal halides are considered as promising light-emitting materials due to their unique broadband emission from self-trapped excitons(STEs).Despite substantial progress in the development of these materials,the photoluminescence quantum yields(PLQY)of hybrid Sb-Br analogs have not fully realized the ca-pabilities of these materials,necessitating a better fundamental understanding of the structure-property relation-ship.Here,we have achieved a pressure-induced emission in 0D(EATMP)SbBr5(EATMP=(2-aminoethyl)trimethylphosphanium)and the underlying mechanisms are investigated using in situ experimental characterization and first-principles calculations.The pressure-induced reduction in the overlap between the STE states and ground states(GSs)results in the suppression of phonon-assisted non-radiative decay.The photoluminescence(PL)evo-lution is systematically demonstrated to be controlled by the pressure-regulated exciton-phonon coupling,which can be quantified using Huang-Rhys factorS.Through detailed studies of the S-PLQY relation in a series of 0D hybrid antimony halides,we establish a quantitative structure-property relationship that regulating S value toward 21 leads to the optimized emission.This work not only sheds light on pressure-induced emission in 0D hybrid metal halides but also provides valuable insights into the design principles for enhancing the PLQY in this class of materials.展开更多
Hydrostatic pressure-induced ferroelectric-antiferroelectric (FE-AFE) phase transition and the pressure dependence of dielectric properties in La-doped Pb(Zr,Sn, Ti)O3 ceramics were researched; the effects of temperat...Hydrostatic pressure-induced ferroelectric-antiferroelectric (FE-AFE) phase transition and the pressure dependence of dielectric properties in La-doped Pb(Zr,Sn, Ti)O3 ceramics were researched; the effects of temperature on hydrostatic pressure-induced FE-AFE phase transition and dielectric properties of the samples were studied. It was found that the temperature made the FE-AFE phase transition pressure decrease, and there existed the behavior of dielectric frequency dispersion and phase transition diffusion in the dielectric-pressure spectrum. These phenomena were very useful to enrich and develop the knowledge on the diffused phase transition behavior of polycomponent relaxor ferroelectric.展开更多
The present calculations were performed on the basis of the Sanchez-Lacombe lattice fluid theory and the new combinatorial rules for block copolymer according to the experimental results on the pressure-induced compat...The present calculations were performed on the basis of the Sanchez-Lacombe lattice fluid theory and the new combinatorial rules for block copolymer according to the experimental results on the pressure-induced compatibility in poly(ethylene oxide) (PEO) and poly(ethylene ox-ide-b-dimethylsiloxane) (P(EO-b-DMS)) mixtures with UCST behavior. The study on enthalpy, combinatorial entropy, vacancy entropy and Gibbs energy upon mixture shows that San-chez-Lacombe fluid theory and the new combinatorial rules could describe the pressure-induced compatibility (PIC) of polymer mixtures with UCST behavior well.展开更多
基金financially supported by the National Natural Science Foundation of China (Nos.50971043 and 51171046)the Research Fund for the Doctoral Program of Higher Education of China (No.20133514110006)+1 种基金the Natural Science Foundation of Fujian Province,China (No.2014J01176)the Program for New Century Excellent Talents in University of Fujian Province,China (No.JA10013)。
文摘Effects of pressure on lattice parameters, electronic, thermodynamic and mechanical properties of the fully ordered Ti_(2)AlNb orthorhombic phase were studied using first-principles calculations based on density functional theory(DFT). The bonding nature for ordering orthorhombic Ti_(2)AlNb was revealed quantitatively through the electronic structure analyzing. The external pressures play limited roles in the elastic anisotropy of the alloy due to the outstanding dynamical and mechanical stabilities under pressure. However, the shear modulus of O phase manifests anisotropic, where {010} shear planes are the easiest planes to cleave among the principal planes under all pressures.The heat capacities, volume expansions and thermal expansion coefficients were calculated using the quasi-harmonic approximation model based on the phonon dispersion curves. Meanwhile, the bulk modulus, Young’s modulus,shear modulus and the hardness are promptly enhanced under pressure. The predicted results give hints to design Ti_(2)AlNb-based alloy as high-pressure applications.
基金supported by Foundation for the Sichuan University and Zigong City Joint research project(2021CDZG-2)the Foundation for the Sichuan University and Yibin City Strategic Cooperation Project(2020CDYB-32)the Guangxi Key Laboratory of Low Carbon Energy Material(2020GKLLCEM02)。
文摘Fluoride ferrous(FeF_(2))is viewed as a promising conversion cathode material for next-generation lithiumion batteries(LIBs)due to its high theoretical specific capacity and low cost.Unfortunately,issues such as poor intrinsic conductivity,iron dissolution,and phase separation hinder the application of FeF_(2)in highenergy cathodes.Here,a pressure-induced morphology control method is designed to prepare coralloidlike FeF_(2)nanocrystals with nitrogen-rich carbon coating(c-FeF_(2)@NC).The coralloid-like interconnected crystal structure of c-FeF_(2)@NC contributes to reducing interfacial resistance and enhancing the topotactic transformation during the conversion reaction,and the nitrogen-rich carbon(NC)coating can enhance interfacial stability and kinetic performance.When used as a conversion cathode for LIBs,c-FeF_(2)@NC exhibits a high initial reversible capacity of 503.57 mA h g^(-1)and excellent cycling stability of497.61 m A h g^(-1)with a low capacity decay of 1.19%over 50 cycles at 0.1 A/g.Even at 1 A/g,a stable capacity of 263.78 mA h g^(-1)can still be retained after 200 cycles.The capability of c-FeF_(2)@NC as a conversion cathode for sodium-ion batteries(SIBs)was also evaluated to expand its field of application.Furthermore,two kinds of full batteries have been assembled by employing c-FeF_(2)@NC as cathodes and quantitative limited-Li(LLi)and pre-lithiated reduced graphene oxide(PGO)as anodes,respectively,to envisage the feasibility of practical applications of conversion materials.
文摘Step-scheme(S-scheme)heterojunctions in photocatalysts can provide novel and practical insight on promoting photogenerated carrier separation.The latter is critical in controlling the overall efficiency in one-step photoexcitation systems.In this study,a nanosized BiVO_(4)/Bi_(0.6)Y_(0.4)VO_(4 )solid solution was prepared by a coprecipitation method following with hydrothermal or calcination processes.The S-scheme heterojunction was fabricated by in-situ pressure-induced transformations of bismuth vanadate from the tetragonal zircon phase to the monoclinic scheelite phase,which led to the formation of BiVO4 nanoparticles with a diameter of approximately 5 nm on the surface of BiVO_(4)/Bi_(0.6)Y_(0.4)VO_(4)/Bi_(0.6)Y_(0.4)VO_(4)with S-scheme heterojunctions showed significantly enhanced photocatalytic overall water splitting activity compared with using bare BiVO_(4)/Bi_(0.6)Y_(0.4)VO_(4).Characterization of the carrier dynamics demonstrated that a superior carrier separation through S-type heterojunctions might have caused the enhanced overall water splitting(OWS)activity.Surface photovoltage spectra and the results of selective photodeposition experiments indicated that the photogenerated holes mainly migrated to the BiVO4 nanoparticles in the heterojunction.This confirmed that the charge transfer route corresponds to an S-scheme rather than a type-II heterojunction mechanism under light illumination.This study presents a facile and efficient strategy to construct S-scheme heterojunctions through a pressure-induced phase transition.The results demonstrated that S-scheme junctions composed of different crystalline phases can boost the carrier separation capacity and eventually improve the photocatalytic OWS activity.
基金Supported by the"Shi-Pei Ji Hua",the National Science Foundation of China under Grant Nos 51402019 and 11574377the Beijing Natural Science Foundation under Grant No 2152011+5 种基金the National Basic Research Program of China under Grants No2014CB921500the Strategic Priority Research ProgramKey Research Program of Frontier Sciences of the Chinese Academy of Sciences under Grant Nos XDB07020100 and QYZDB-SSW-SLH013the U.S.Department of Energy,Office of Science,Basic Energy Sciences,Materials Sciences and Engineering Divisionthe CEMNSF MRSEC under Grant No DMR-1420451
文摘The mixed-valent Pb3Rh7O15 undergoes a Verwey-type transition at Tv≈180K, below which the development of Rh3＋3＋/Rh4＋4＋ charge order induces an abrupt conductor-to-insulator transition in resistivity. Here we investigate the effect of pressure on the Verwey-type transition of Pb3Rh7O15 by measuring its electrical resistivity under hydrostatic pressures up to 8GPa with a cubic anvil cell apparatus. We find that the application of high pressure can suppress the Verwey-type transition around 3GPa, above which a metallic state is realized at temperatures below ～70K, suggesting the melting of charge order by pressure. Interestingly, the low-temperature metallic region shrinks gradually upon further increasing pressure and disappears completely at P〉7GPa, which indicates that the charge carriers in Pb3Rh7O15 undergo a reentrant localization under higher pressures. We have constructed a temperature-pressure phase diagram for Pb3Rh7O15 and compared to that of Fe3O4, showing an archetype Verwey transition.
基金Supported by the National Basic Research Program of China under Grant No 2011CB808204the National Natural Science Foundation of China under Grant Nos 11374121 and 11404133
文摘The electrical properties of polycrystaltine CaB6 are revealed by in-situ resistance measurements under high pressure and low temperature. Due to the existence of grain boundaries, polycrystalline CaB6 behaves with semiconducting transport properties, which is different from the semimetallic CaB6 single crystals. The temperaturedependent resistance measurement results show that before the structural phase transition at 12.3 GPa the high pressure first induces the metallization at 6.5 GPa for CAB6. Moreover, the phase diagram for CaB6 is drawn based on the investigated electric conducting properties and at least three different conducting phases are found even at moderate high pressure and low temperature, indicating that the electric nature of CaB6 is very sensitive to the environment.
基金the financial support from the National Natural Science Foundation of China(11872160)the Science Foundation of National Key Laboratory of Science and Technology on Advanced Composites in Special Environments,China(JCKYS2020603C007)。
文摘A floating air weapon system(such as airborne floating mines)plays an important role in modern air defense operations.This paper focuses on aeroelastic characteristics of airborne floating mine named inflated pillow.Firstly,the dynamic deployable process of the pillow and characteristics of the local instability of the edge are studied,and the evolution mechanism of wrinkles and kinks is analyzed.Secondly,in the cruising stage,the fluid-structural-thermal coupling analysis is performed on the pillow,and the aeroelastic characteristics are studied.Thirdly,the shapepreserving effect of the inflated pillow during the“negative pressure”slow landing stage is evaluated.It is found that when the wind velocity is higher,the pillow has a collapsed instability(surface extrusion and contact),and when the wind velocity is lower,snap-through instability occurs.Finally,for the collapsed instability,a carbon fiber skeleton is added to discrete the large global collapsed fold into small local folds,thus achieving shape-preserving effect of pillow.For snapthrough instability,the critical internal pressure and different shape evolution under different wind velocity are evaluated.Through the analysis of the mechanical mechanism and control of the structural morphological evolution,it provides theoretical guidance for the application of the curved shell structure in floating air weapon system.
文摘By means of both the theory for pressure-induced Shifts （PS） of energy spectra and the theory for shifts of energy spectra due to electron-phonon interaction （EPI）, the normal-pressure energy spectra of α and β centers of Cr^3＋ ions for LLGG：Cr^3＋ and the PS＇s of R1 lines and U band of these centers have been calculated at 10 K, respectively. The total calculated results are in very good agreement with the experimental data. For LLGG：Cr^3＋, the pressureinduced low-high crystal-field transition and the reversal of R1-line PS take place. The pressure-dependent variation of Rmix^ei （2E - 4T2） [mixing-degree of （t2^2 （^3T1）e^4T2） and （t2^3 E） base-wavefunctions in the wavefunction of R1 state without EPI] plays a key role for the reversal of R1-line PS. The behavior of the pure electronic PS of R1 line is quite different from that of the PS of R1 line due to EPI. It is the combined effect of them that gives rise to the total PS of R1 line. The comparison between R1-line PS＇s of GSGG：Cr^3＋ and LLGG：Cr^3＋ has been made. It is found that a peak of R1-line PS appears at Rmix^ei （^2E - ^4T2） ≈ 0.08.
基金Project supported by the National Natural Science Foundation of China(Grant No.11964026)the Natural Science Basic Research Plan in Shaanxi Province of China(Grant Nos.2023-JC-YB-021,2022JM-035,and 2022JQ-008)。
文摘Motivated by the recent experimental work,the pressure-induced structural transition of well-known two-dimensional(2D)1T-Hf Te_(2)was investigated up to 50 GPa through the advanced CALYPSO structure search technique combined with the first-principles calculations.Our calculations suggested that the 1T-Hf Te_(2)will first transform to C2/m phase at 3.6 GPa with a volume reduction of 7.6%and then to P62m phase at 9.6 GPa with a volume collapse of 4.6%.The occurrences of 3D C2/m and P62m phases mainly originated from the enhanced Te-Te interlayer coupling and the drastic distortions of Hf-Te polyhedrons in P3m1 phase under compression.Concomitantly,the coordination number of Hf atoms increased from six in P3m1 to eight in C2/m and eventually to nine in P62m at elevated pressure.The metallic and semimetallic nature of C2/m and P62m phases were characterized,and the evidence of the reinforced covalent interactions of Te-Hf and Te-Te orbitals in these two novel high-pressure phases were manifested by the atom-projected electronic DOS and Bader charge.
基金Supported by the Fundamental Research Funds for the Central Universities under Grant No 2013RC19
文摘The effects of pressure on phonon modes of ferroeleetrie tetragonal P4mm and paraelectric cubic Pm3m PbTiOa are systematically investigated by using first-principles simulations. The pressure-induced tetragonal-to-cubie and subsequent cubic-to-tetragonal phase transitions are the second-order transitions, which are different from the phase transitions induced by temperature [Phys. Rev. Lett. 25 （1970） 167]. As pressure increases, the lowest A1 and E modes of the tetragonal phase become softer and converge to the F1u mode of the cubic phase. As pressure further increases, the lowest Flu mode first hardens and then softens again, and finally diverges into A1 and E modes. The behaviors of optical phonon modes confirm the ferroelectric-to-paraelectric-to-ferroeleetric phase transitions.
基金Supported by the National Natural Science Foundation of China (Grant No.51672015)the National Key Research and Development Program of China (Grant Nos.2016YFC1102500 and 2017YFB0702100)+3 种基金the 111 Project (Grant No.B17002)and the Fundamental Research Funds for the Central Universitiessupported by the European Regional Development Fund in the IT4Innovations National Supercomputing Center—Path to Exascale Project (Grant No.CZ.02.1.01/0.0/0.0/16 013/0001791)within the Operational Programme for Research,Development and Education,and by the Large Infrastructures for Research,Experimental Development,and Innovation Project (Grant No.e-INFRA CZ-LM2018140) by the Ministry of Education,Youth,Sport of the Czech Republic。
文摘Diamond, cubic boron nitride(c-BN), silicon(Si), and germanium(Ge), as examples of typical strong covalent materials, have been extensively investigated in recent decades, owing to their fundamental importance in material science and industry. However, an in-depth analysis of the character of these materials' mechanical behaviors under harsh service environments, such as high pressure, has yet to be conducted. Based on several mechanical criteria, the effect of pressure on the mechanical properties of these materials is comprehensively investigated.It is demonstrated that, with respect to their intrinsic brittleness/ductile nature, all these materials exhibit ubiquitous pressure-enhanced ductility. By analyzing the strength variation under uniform deformation, together with the corresponding electronic structures, we reveal for the first time that the pressure-induced mechanical softening/weakening exhibits distinct characteristics between diamond and c-BN, owing to the differences in their abnormal charge-depletion evolution under applied strain, whereas a monotonous weakening phenomenon is observed in Si and Ge. Further investigation into dislocation-mediated plastic resistance indicates that the pressure-induced shuffle-set plane softening in diamond(c-BN), and weakening in Si(Ge), can be attributed to the reduction of antibonding states below the Fermi level, and an enhanced metallization, corresponding to the weakening of the bonds around the slipped plane with increasing pressure, respectively. These findings not only reveal the physical mechanism of pressure-induced softening/weakening in covalent materials, but also highlights the necessity of exploring strain-tunable electronic structures to emphasize the mechanical response in such covalent materials.
基金National Natural Science Foundations of China (No. 50833002, No. 20774018)
文摘Hybrid organic-inorganic polymer nanocomposites incorporating organically modified montmorillonite (MMT) and ultra-high molecular weight polyethylene (UHMWPE) were examined. UHMWPE/MMT hybrid nanocomposites were prepared using gel and pressure-induced flow(PIF) processing methods at a gel weight concentration of 8% UHMWPE with various organoclay contents (0, 0.4, 0.8, 1.2, and 1.6 parts per hundred parts). The interlayer properties of the nanocomposites were studied by transmission electron microscopy (TEM) and scanning electron microscopy (SEM). The thermal and mechanical interfacial properties of the nanocomposites were investigated through thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), dynamic mechanical analysis (DMA), and the use of a universal test machine (UTM). TEM indicates that the nanocomposites are formed upon dispersion of MMT in the polymer matrix. From the DSC, TGA, and DMA results, we find that the thermal stability of the UHMWPE nanocomposites increases as the MMT content increases. The nanocomposites show higher tensile strengths than pure UHMWPE gel sheet. These findings indicate that the interfacial and mechanical properties are improved by the addition of MMT and PIF processing.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.U1232204 and 41502029)China Postdoctoral Science Foundation(Grant No.2015M580679)
文摘The synthesized monoclinic（B-type） phase of Y2O3 has been investigated by in situ angle-dispersive x-ray diffraction in a diamond anvil cell up to 44 GPa at room temperature. A phase transition occurs from monoclinic（B-type） to hexagonal（A-type） phase at 23.5 GPa and these two phases coexist even at the highest pressure. Parameters of isothermal equation of state are V0= 69.0（1）A3, K0= 159（3） GPa, K0= 4（fixed） for the B-type phase and V0= 67.8（2） A3, K0= 156（3） GPa,K＇0= 4fixed for the A-type phase. The structural anisotropy increases with increasing pressure for both phases.
文摘Near-infrared imaging can be used to reconstruct tissue optical properties from measurements of light propagation through tissue. But a single static image alone does not reveal much information about abnormal vascularization because light beams are heavily scattered and diffused by tissues, resulting in very low spatial resolution. If changes caused by re-distribution of blood volume and oxygenation level are detected, more pathophysiologic information will be revealed. The goal of this work is to understand how the pressure that is applied to the surface affects the composition of the tissue and illustrate that the pressure-induced changes are significant and that are likely dependent on the tissue composition. In this paper, we propose a novel method to make continue-wave light illuminate the vivo tissue with external pressure, using the CCD camera to acquire sequential dynamic images during the whole course. The dynamic response of the tissue to pressure modulation is carried in the intensity variations among different images. This trial can prove that the pressure can influence the blood capacity and the oxygen saturation of the tissue in near-infrared imaging. The result can be output by dynamic value curves of the light intensity, at the same time some algorithms can be used to process image sequences, accumulating continuous physiology information in the resulting images, so the blood vessels can be shown more obviously. This is very useful to the physicians for the information of the blood vessel implicates much pathology information.
基金financially supported by National Key R&D Program of China(2018YFC0910601)Natural Science Foundation of China(Grant No.81871411,32011530115)+1 种基金Youth Innovation Promotion Association Foundation of CAS(2017340)Key R&D Program of Zhejiang Province(2020C03110)。
文摘Zeolitic Imidazole Frameworks(ZIFs)are widely applied in nanomedicine for their high drug loading,suitable pore size,pH-responsive drug release,and so on.However,fast drug release during circulation,unexpected toxicity to mice major organs,undesirable long-term accumulation in the lung and even death currently hinder their in vivo biomedical applications.Herein,we report an amorphous ZIF-8(aZIF-8)with high loading of 5-Fu through pressure-induced amorphization.This nano-system avoids early drug release during circulation and provides tumor microenvironment-responsive drug release with improved in vitro cell viability,and survival rate in in vivo evaluations as compared to ZIF-8.Furthermore,aZIF-8 shows longer blood circulation and lower lung accumulation than ZIF-8 at same injected doses.Less drug release during circulation,longer blood circulation,and better biocompatibility of aZIF-8/5-Fu significantly improves its therapeutic efficacy in ECA-109 tumorbearing mouse,and result in 100%survival rate over 50 days after treatment.Therefore,aZIF-8 with favorable biocompatibility and long blood circulation is expected to be a promising nano-system for efficacious cancer therapy in vivo.
基金Jilin Provincial Science and Technology Development Program,Grant/Award Number:20220101002JCNational Natural Science Foundation of China,Grant/Award Number:12174144Fundamental Research Funds for the Central Universities。
文摘High-pressure chemistry has provided a huge boost to the development of scientific community.Pressure-induced emission(PIE)in halide perovskites is gradually showing its unique charm in both pressure sensing and optoelectronic device applications.Moreover,the PIE retention of halide perovskites under ambient conditions is of great commercial value.Herein,we mainly focus on the potential applications of PIE and PIE retention in metal halide perovskites for scintillators and solid-state lighting.Based on the performance requirements of scintillator and single-component white light-emitting diodes(WLEDs),the significance of PIE and PIE retention is critically clarified,aiming to design and synthesize materials used for high-performance optoelectronic devices.This perspective not only demonstrates promising applications of PIE in the fields of scintillators and WLEDs,but also provides potential applications in display imaging and anti-counterfeiting of PIE materials.Furthermore,solving the scientific disputes that exist under ambient conditions is also simply discussed as an outlook by introducing high-pressure dimension to produce PIE.
文摘In the compacting process of the La 0.7Sr 0.3Mn 0.9Fe 0.1O 3 nanosolids under the pressure range of 0.0-4.5 GPa, the apparent pressure-induced crystallite breaking phenomenon in these nanosolids was observed. With increasing pressure up to 4.5 GPa, the average grain size decreases by 46% while the magnetization of nanosolids decrease by 40% and their coercive increases by 35%. This kind of breaking has a close relation to the existence of oxygen deficiency in La 0.7Sr 0.3Mn 0.9Fe 0.1O 3 nanoparticles. A simple and convenient method for preparing the bulk nanosolids with a large number of clean interfaces has been suggested.
文摘Pressure-induced legislation occasioned by media discourse is actually the result of an information deficit on the part of legislators. If legislators＇ information competency fails to meet the knowledge challenges of the modem legal system and its activities, they will be powerless to resist the infiltration of media discourse. The result is that legislative activities are inextricably intertwined with the media; once a particular social issue is catapulted on to the media agenda, legislators have no choice but to fall into line, creating the phenomenon of pressure-induced legislation. The essential characteristic of law is its inherent constancy and stability, whereas pressure-induced legislation often loses the calmness, objectivity, prudence and comprehensiveness proper to law. Such legislative decision-making runs counter to the inherently rational mechanism of legislation and produces unfair and ineffective redistributive results. Pressure-induced legislation highlights the importance of information in public policy choices and institution design. It would be desirable for the whole legal system aimed at evaluating legislative performance to be introduced so as to provide legislators with a sufficient incentive to remodel their information competency and ensure the scientific nature and rationality of legislation.
基金supported by the National Natural Science Foundation of China(Nos.22275004,17N1051-0213,and 51872315)Shanghai Science and Technology Committee(No.22JC1410300)+3 种基金Shanghai Key Laboratory of Novel Extreme Condition Materials(No.22dz2260800)the Science Foundation of the Chinese Academy of SciencesSome experiments are supported by the Synergetic Extreme Condition User Facility.Portions of this work were performed at GeoSoilEnviroCARS(The University of Chicago,Sector 13),Advanced Photon Source(APS),and Argonne Na-tional Laboratory.GeoSoilEnviroCARS is supported by the National Science Foundation-Earth Sciences(EAR-1634415)This research used resources of the Advanced Photon Source,a U.S.Department of Energy(DOE)Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No.DE-AC02-06CH11357.
文摘Zero-dimensional(0D)hybrid metal halides are considered as promising light-emitting materials due to their unique broadband emission from self-trapped excitons(STEs).Despite substantial progress in the development of these materials,the photoluminescence quantum yields(PLQY)of hybrid Sb-Br analogs have not fully realized the ca-pabilities of these materials,necessitating a better fundamental understanding of the structure-property relation-ship.Here,we have achieved a pressure-induced emission in 0D(EATMP)SbBr5(EATMP=(2-aminoethyl)trimethylphosphanium)and the underlying mechanisms are investigated using in situ experimental characterization and first-principles calculations.The pressure-induced reduction in the overlap between the STE states and ground states(GSs)results in the suppression of phonon-assisted non-radiative decay.The photoluminescence(PL)evo-lution is systematically demonstrated to be controlled by the pressure-regulated exciton-phonon coupling,which can be quantified using Huang-Rhys factorS.Through detailed studies of the S-PLQY relation in a series of 0D hybrid antimony halides,we establish a quantitative structure-property relationship that regulating S value toward 21 leads to the optimized emission.This work not only sheds light on pressure-induced emission in 0D hybrid metal halides but also provides valuable insights into the design principles for enhancing the PLQY in this class of materials.
基金This work was supported by the National Defensive Pre-research Fund of China (Grand No. 98J12.1.9).
文摘Hydrostatic pressure-induced ferroelectric-antiferroelectric (FE-AFE) phase transition and the pressure dependence of dielectric properties in La-doped Pb(Zr,Sn, Ti)O3 ceramics were researched; the effects of temperature on hydrostatic pressure-induced FE-AFE phase transition and dielectric properties of the samples were studied. It was found that the temperature made the FE-AFE phase transition pressure decrease, and there existed the behavior of dielectric frequency dispersion and phase transition diffusion in the dielectric-pressure spectrum. These phenomena were very useful to enrich and develop the knowledge on the diffused phase transition behavior of polycomponent relaxor ferroelectric.
基金supported by the National Natural Science Foundation of China for Special(Grant Nos.50253002,50027001)General(Grant Nos.50073024,90101001,20074037)+3 种基金Major(Grant No.50290090)the Special Pro-Funds for Major State Basic Research Projects(Grant No.2002CCAD4000)the Special Funds for Major State Basic Researcb Projects(Grant No.G1999064800)the Fund for Distinguished Young Scholars of China(Grant No.59825113).
文摘The present calculations were performed on the basis of the Sanchez-Lacombe lattice fluid theory and the new combinatorial rules for block copolymer according to the experimental results on the pressure-induced compatibility in poly(ethylene oxide) (PEO) and poly(ethylene ox-ide-b-dimethylsiloxane) (P(EO-b-DMS)) mixtures with UCST behavior. The study on enthalpy, combinatorial entropy, vacancy entropy and Gibbs energy upon mixture shows that San-chez-Lacombe fluid theory and the new combinatorial rules could describe the pressure-induced compatibility (PIC) of polymer mixtures with UCST behavior well.
