Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-ins...Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-inspired lattice structures feature a square-grid 2D lattice with double diagonal bracings and are additively manufactured via digital light processing(DLP).The collapse strength and energy absorption capacity of sea sponge lattice structures are evaluated under various impact conditions and are compared to those of their constituent square-grid and double diagonal lattices.This study demonstrates that sea sponge lattices can achieve an 11-fold increase in energy absorption compared to the square-grid lattice,due to the stabilizing effect of the double diagonal bracings prompting the structure to collapse layer-bylayer under impact.By adjusting the thickness ratio in the sea sponge lattice,up to 76.7%increment in energy absorption is attained.It is also shown that sea-sponge lattices outperform well-established energy-absorbing materials of equal weight,such as hexagonal honeycombs,confirming their significant potential for impact mitigation.Additionally,this research highlights the enhancements in energy absorption achieved by adding a small amount(0.015 phr)of Multi-Walled Carbon Nanotubes(MWCNTs)to the photocurable resin,thus unlocking new possibilities for the design of innovative lightweight structures with multifunctional attributes.展开更多
Halide perovskite materials have received considerable attention for solar cells,LEDs,lasers etc.owing to their controllable physicochemical properties and structural advantages.However,little research has focused on ...Halide perovskite materials have received considerable attention for solar cells,LEDs,lasers etc.owing to their controllable physicochemical properties and structural advantages.However,little research has focused on energy storage and conversion applications,such as use as anodes in lithium-ion batteries.In this paper,all-inorganic lead-free halide perovskite Cs_(3)Bi_(2)Cl_(9)powders were synthesized by the grinding method,and the lattice was successfully adjusted via introducing Mn^(2+).The characterization results show that Mn-ion substitution can cause local lattice distortion to restructure the lattice,which will cause a mixed arrangement of[BiCl_(6)]octahedra to improve the performance of the anode material.This new material can provide a feasible solution for solving the problem of low specific capacity anode materials caused by unstable crystal structures,and also indicates that such perovskites with unique crystal structures and lattice tunability have broad application prospects in lithium-ion batteries.展开更多
Formamidinium lead iodide(FAPbI_(3))perovskite exhibits an impressive X-ray absorption coefficient and a large carrier mobility-lifetime product(μτ),making it as a highly promising candidate for X-ray detection appl...Formamidinium lead iodide(FAPbI_(3))perovskite exhibits an impressive X-ray absorption coefficient and a large carrier mobility-lifetime product(μτ),making it as a highly promising candidate for X-ray detection application.However,the presence of larger FA^(+)cation induces to an expansion of the Pb-I octahedral framework,which unfortunately affects both the stability and charge carrier mobility of the corresponding devices.To address this challenge,we develop a novel low-dimensional(HtrzT)PbI_(3) perovskite featuring a conjugated organic cation(1H-1,2,4-Triazole-3-thiol,HtrzT^(+))which matches well with theα-FAPbI_(3) lattices in two-dimensional plane.Benefiting from the matched lattice between(HtrzT)PbI_(3) andα-FAPbI_(3),the anchored lattice enhances the Pb-I bond strength and effectively mitigates the inherent tensile strain of theα-FAPbI_(3) crystal lattice.The X-ray detector based on(HtrzT)PbI_(3)(1.0)/FAPbI_(3) device achieves a remarkable sensitivity up to 1.83×10^(5)μC Gy_(air)^(−1) cm^(−2),along with a low detection limit of 27.6 nGy_(air) s^(−1),attributed to the release of residual stress,and the enhancement in carrier mobility-lifetime product.Furthermore,the detector exhibits outstanding stability under X-ray irradiation with tolerating doses equivalent to nearly 1.17×10^(6) chest imaging doses.展开更多
Electrocatalytic nitric oxide(NO)reduction reaction(NORR)is a promising and sustainable process that can simultaneously realize green ammonia(NH3)synthesis and hazardous NO removal.However,current NORR performances ar...Electrocatalytic nitric oxide(NO)reduction reaction(NORR)is a promising and sustainable process that can simultaneously realize green ammonia(NH3)synthesis and hazardous NO removal.However,current NORR performances are far from practical needs due to the lack of efficient electrocatalysts.Engineering the lattice of metal-based nanomaterials via phase control has emerged as an effective strategy to modulate their intrinsic electrocatalytic properties.Herein,we realize boron(B)-insertion-induced phase regulation of rhodium(Rh)nanocrystals to obtain amorphous Rh_(4)B nanoparticles(NPs)and hexagonal close-packed(hcp)RhB NPs through a facile wet-chemical method.A high Faradaic efficiency(92.1±1.2%)and NH_(3) yield rate(629.5±11.0μmol h^(−1) cm^(−2))are achieved over hcp RhB NPs,far superior to those of most reported NORR nanocatalysts.In situ spectro-electrochemical analysis and density functional theory simulations reveal that the excellent electrocatalytic performances of hcp RhB NPs are attributed to the upshift of d-band center,enhanced NO adsorption/activation profile,and greatly reduced energy barrier of the rate-determining step.A demonstrative Zn-NO battery is assembled using hcp RhB NPs as the cathode and delivers a peak power density of 4.33 mW cm−2,realizing simultaneous NO removal,NH3 synthesis,and electricity output.展开更多
To explore the relationship between dynamic characteristics and wake patterns,numerical simulations were conducted on three equal-diameter cylinders arranged in an equilateral triangle.The simulations varied reduced v...To explore the relationship between dynamic characteristics and wake patterns,numerical simulations were conducted on three equal-diameter cylinders arranged in an equilateral triangle.The simulations varied reduced velocities and gap spacing to observe flow-induced vibrations(FIVs).The immersed boundary–lattice Boltzmann flux solver(IB–LBFS)was applied as a numerical solution method,allowing for straightforward application on a simple Cartesian mesh.The accuracy and rationality of this method have been verified through comparisons with previous numerical results,including studies on flow past three stationary circular cylinders arranged in a similar pattern and vortex-induced vibrations of a single cylinder across different reduced velocities.When examining the FIVs of three cylinders,numerical simulations were carried out across a range of reduced velocities(3.0≤Ur≤13.0)and gap spacing(L=3D,4D,and 5D).The observed vibration response included several regimes:the desynchronization regime,the initial branch,and the lower branch.Notably,the transverse amplitude peaked,and a double vortex street formed in the wake when the reduced velocity reached the lower branch.This arrangement of three cylinders proved advantageous for energy capture as the upstream cylinder’s vibration response mirrored that of an isolated cylinder,while the response of each downstream cylinder was significantly enhanced.Compared to a single cylinder,the vibration and flow characteristics of this system are markedly more complex.The maximum transverse amplitudes of the downstream cylinders are nearly identical and exceed those observed in a single-cylinder set-up.Depending on the gap spacing,the flow pattern varied:it was in-phase for L=3D,antiphase for L=4D,and exhibited vortex shedding for L=5D.The wake configuration mainly featured double vortex streets for L=3D and evolved into two pairs of double vortex streets for L=5D.Consequently,it well illustrates the coupling mechanism that dynamics characteristics and wake vortex change with gap spacing and reduced velocities.展开更多
Oxygen evolution reaction(OER)is often regarded as a crucial bottleneck in the field of renewable energy storage and conversion.To further accelerate the sluggish kinetics of OER,a cation and anion modulation strategy...Oxygen evolution reaction(OER)is often regarded as a crucial bottleneck in the field of renewable energy storage and conversion.To further accelerate the sluggish kinetics of OER,a cation and anion modulation strategy is reported here,which has been proven to be effective in preparing highly active electrocatalyst.For example,the cobalt,sulfur,and phosphorus modulated nickel hydroxide(denoted as NiCoPSOH)only needs an overpotential of 232 mV to reach a current density of 20 mA cm^(–2),demonstrating excellent OER performances.The cation and anion modulation facilitates the generation of high-valent Ni species,which would activate the lattice oxygen and switch the OER reaction pathway from conventional adsorbate evolution mechanism to lattice oxygen mechanism(LOM),as evidenced by the results of electrochemical measurements,Raman spectroscopy and differential electrochemical mass spectrometry.The LOM pathway of NiCoPSOH is further verified by the theoretical calculations,including the upshift of O 2p band center,the weakened Ni–O bond and the lowest energy barrier of rate-limiting step.Thus,the anion and cation modulated catalyst NiCoPSOH could effectively accelerate the sluggish OER kinetics.Our work provides a new insight into the cation and anion modulation,and broadens the possibility for the rational design of highly active electrocatalysts.展开更多
For the first time,the linear and nonlinear vibrations of composite rectangular sandwich plates with various geometric patterns of lattice core have been analytically examined in this work.The plate comprises a lattic...For the first time,the linear and nonlinear vibrations of composite rectangular sandwich plates with various geometric patterns of lattice core have been analytically examined in this work.The plate comprises a lattice core located in the middle and several homogeneous orthotropic layers that are symmetrical relative to it.For this purpose,the partial differential equations of motion have been derived based on the first-order shear deformation theory,employing Hamilton’s principle and Von Kármán’s nonlinear displacement-strain relations.Then,the nonlinear partial differential equations of the plate are converted into a time-dependent nonlinear ordinary differential equation(Duffing equation)by applying the Galerkin method.From the solution of this equation,the natural frequencies are extracted.Then,to calculate the non-linear frequencies of the plate,the non-linear equation of the plate has been solved analytically using the method of multiple scales.Finally,the effect of some critical parameters of the system,such as the thickness,height,and different angles of the stiffeners on the linear and nonlinear frequencies,has been analyzed in detail.To confirmthe solution method,the results of this research have been compared with the reported results in the literature and finite elements in ABAQUS,and a perfect match is observed.The results reveal that the geometry and configuration of core ribs strongly affect the natural frequencies of the plate.展开更多
The conversion of CO_(2)to dimethyl carbonate(DMC)offers a promising route for CO_(2)utilization.In this study,four CeO2 catalysts with distinct nanostructures were synthesized via a template-free hydrothermal method ...The conversion of CO_(2)to dimethyl carbonate(DMC)offers a promising route for CO_(2)utilization.In this study,four CeO2 catalysts with distinct nanostructures were synthesized via a template-free hydrothermal method by systematically varying the types and concentrations of precipitants as well as the hydrothermal reaction conditions,and they were employed for DMC synthesis from CO_(2)and methanol.The atomic arrangements of CeO_(2)varied significantly with its morphology,leading to differences in lattice distortion,which directly influenced the concentration of oxygen vacancies.Notably,the CeO_(2)nanospheres,which exhibited the highest lattice distortion and oxygen vacancy concentration,achieved a DMC yield(11.12 mmol/g)48 times greater than that of the nanocubes(0.23 mmol/g).The results indicated that oxygen vacancies played a pivotal role in the catalytic process by facilitating the adsorption and activation of CO_(2)to form bidentate carbonates,as well as activating methanol to generate methoxy species.These processes collectively promoted the formation of the key intermediate(*CH3OCOO).This study proposes a strategy to enhance the oxygen vacancy concentration by increasing lattice distortion,providing valuable insights for designing high-performance CeO_(2)catalysts for DMC synthesis.展开更多
The adsorption of CO on different lattice oxygen sites in Cu doped CeO_(2)(111)was studied by DFT method,and the geometrical structure and electronic properties of adsorption systems were analyzed.The results showed t...The adsorption of CO on different lattice oxygen sites in Cu doped CeO_(2)(111)was studied by DFT method,and the geometrical structure and electronic properties of adsorption systems were analyzed.The results showed that CO interacted with lattice oxygen on the first layer formed CO_(2).However,when adsorbed on the second layer lattice oxygen,carbonate species were formed with the participation of first layer lattice oxygens,i.e.,CO co-adsorbed on first and second layer lattice oxygens.For the second layer adsorption,the absolute CO adsorption energy was big on the Oss nearby Cu.This kind of carbonates was thermodynamically stable,and it was attributed to the facilitation of Cu on CO adsorption,manifested by an electron migration behavior from the C 2p orbitals to the Cu 3d orbitals.However,the absolute CO adsorption energy on the Oss away from Cu was small.Compared to the formation of carbonates,the formation CO_(2)had very small absolute adsorption energy,suggesting the formed carbonates on second layer was stable.Further,when CO adsorbed on the systems with a carbonate,the absolute CO adsorption energy was significantly smaller than that of the non-carbonated system,indicating that the formation of carbonates inhibited CO oxidation on Cu/CeO_(2)(111).Therefore,the formation of carbonates was unfavorable for CO oxidation reaction on Cu/CeO_(2)(111).The results of this study provide theoretical support for the negative effect of CO_(2)on ceria-based catalysts.展开更多
The lattice parameter,measured with sufficient accuracy,can be utilized to evaluate the quality of single crystals and to determine the equation of state for materials.We propose an iterative method for obtaining more...The lattice parameter,measured with sufficient accuracy,can be utilized to evaluate the quality of single crystals and to determine the equation of state for materials.We propose an iterative method for obtaining more precise lattice parameters using the interaction points for the pseudo-Kossel pattern obtained from laser-induced X-ray diffraction(XRD).This method has been validated by the analysis of an XRD experiment conducted on iron single crystals.Furthermore,the method was used to calculate the compression ratio and rotated angle of an LiF sample under high pressure loading.This technique provides a robust tool for in-situ characterization of structural changes in single crystals under extreme conditions.It has significant implications for studying the equation of state and phase transitions.展开更多
In-situ high-resolution transmission electron microscopy(HRTEM)is performed to investigate the de-formation behavior of hexagonal close-packed rhenium(Re)which is compressed along the{1-100}di-rection.Atomistic simula...In-situ high-resolution transmission electron microscopy(HRTEM)is performed to investigate the de-formation behavior of hexagonal close-packed rhenium(Re)which is compressed along the{1-100}di-rection.Atomistic simulations are also conducted to better understand the deformation mechanisms.Two types of lattice reorientation are observed during compression.The first type involves the reori-entation of one lattice by∼90°around{11-20},which is accomplished by the formation of an interme-diate face-center-cubic(FCC)phase at the interface.This transformation sequence can be described as{1-100}matrix→{111}FCC→(0001)twin.In the second type,a new grain is formed but does not satisfy any known twin relationship with the matrix,and an intermediate FCC phase is also formed.The transfor-mation sequence can be described as{1¯101}matrix→{111}FCC→(0001)grain.Mechanisms responsible for the observed lattice reorientation and sequential phase transitions are analyzed by conducting lattice correspondence analyses on the simulation results.Strain accommodation is also analyzed to explain the mechanisms for lattice reorientation and the intermediate phase transformations.The results provide new insight into the deformation behavior of HCP metals.展开更多
Lead-free halide double perovskites(HDPs)provide a promising platform for high-performance thermoelectric due to their intrinsically ultralow lattice thermal conductivity k_(l).In this study,we comprehensively investi...Lead-free halide double perovskites(HDPs)provide a promising platform for high-performance thermoelectric due to their intrinsically ultralow lattice thermal conductivity k_(l).In this study,we comprehensively investigate the lattice dynamics of Cs_(2)AgInCl_(6)using first-principles calculations.By explicitly incorporating four-phonon scattering and wave-like phonon tunneling,we predict a k_(l)of 0.52 W·m^(-1)·K^(-1)with a remarkably weak temperature dependence(k_(l)∝T^(-0.31)),confirming the intrinsically glass-like ultralow k_(l)in Cs_(2)AgInCl_(6).Further analyses reveal that hierarchical chemical bonds,loosely bonded rattling atoms and a mixed crystalline-liquid state collectively induce strong anharmonicity manifested in flat phonon modes.These factors dominate the glass-like thermal transport component of k_(l).This work uncovers the underlying mechanisms governing the unusual thermal transport properties in lead-free HDPs and offers guiding principles for designing novel energy conversion technologies.展开更多
Two^(87)Sr optical lattice clocks(OLCs)are being developed and operated at the National Institute of Metrology(NIM),located on different campuses that are 40km apart.In order to compare the optical frequencies of thes...Two^(87)Sr optical lattice clocks(OLCs)are being developed and operated at the National Institute of Metrology(NIM),located on different campuses that are 40km apart.In order to compare the optical frequencies of these two Sr OLCs,a 58-km noise canceled fiber link is built to transfer both a 1542-nm transfer laser and a microwave reference from Changping campus to Hepingli campus.Two commercial optical frequency combs(OFCs)with adapted single-branch 698/1542nm outputs coherently unite the two 698-nm clock lasers and the 1542-nm transfer laser.The fractional instability of the comparison yields 3.1×10^(−17)at 10000 s averaging time.The measured fractional frequency difference between these two Sr OLCs was evaluated to be 1.9(3.2)×10^(−17),which is within their claimed uncertainties.This result demonstrates the consistency of their frequencies when they serve as optical frequency standards.Our remote comparison demonstrates the feasibility of optical clock comparison through a long-distance fiber link and contributes to the progress of redefinition of the SI second.展开更多
This article extends the foundational work of Wang and Wang on modal logic over lattices.Building upon their framework using polyadic modal logic with binary modalities<sup>and<inf>under standard Kripke se...This article extends the foundational work of Wang and Wang on modal logic over lattices.Building upon their framework using polyadic modal logic with binary modalities<sup>and<inf>under standard Kripke semantics to axiomatize lattice structures,we focus on the modal characterization of bounded lattices and their extensions relevant to logical systems.By introducing nullary modalities 1(maximum element)and 0(minimum element),we first establish a modal axiomatic system for bounded lattices.Subsequently,we provide pure formula characterizations of complementation and orthocomplementation relations in lattices,along with corresponding completeness results.As key applications,we present modal characterizations of fundamental logical algebraic structures:Boolean algebras,orthomodular lattices,and Heyting algebras.The last section develops novel axiomatization results for atomic lattices and atomless lattices.Throughout this work,all axiomatic systems are shown to be strongly complete via pureformula extensions,demonstrating how hybrid modal languages with nullary operators can uniformly capture boundary elements,complementation properties,and latticetheoretic operations central to both classical and nonclassical logics.展开更多
The celebrated antiferromagnetic(AFM) phase transition was realized in a most recent optical lattice experiment for the 3D fermionic Hubbard model [Shao et al. Nature 632 267(2024)]. Despite this important progress, i...The celebrated antiferromagnetic(AFM) phase transition was realized in a most recent optical lattice experiment for the 3D fermionic Hubbard model [Shao et al. Nature 632 267(2024)]. Despite this important progress, it was observed that the AFM structure factor(and also the critical entropy) reaches its maximum at an interaction strength U/t■11.75, which is significantly larger than the theoretical prediction of U/t■8. Here,we resolve this discrepancy by studying the interplay between the thermal entropy, density disorder, and antiferromagnetism in the half-filled 3D Hubbard model, using numerically exact auxiliary-field quantum Monte Carlo simulations. We have achieved an accurate entropy phase diagram, enabling us to simulate arbitrary entropy path on the temperature-interaction plane and track experimental parameters effectively. We find that above the discrepancy can be quantitatively explained by the entropy increase associated with increasing interaction strength in experiments, and together with the lattice density disorder present in the experimental setup. We further investigate the entropy dependence of double occupancy and predict universal behaviors that could serve as valuable probes in future optical lattice experiments.展开更多
The kagome lattice,characterized by a hexagonal arrangement of corner-sharing equilateral triangles,has garnered significant attention as a fascinating quantum material system that hosts exotic magnetic and electronic...The kagome lattice,characterized by a hexagonal arrangement of corner-sharing equilateral triangles,has garnered significant attention as a fascinating quantum material system that hosts exotic magnetic and electronic properties.The identification and characterization of this class of materials are critical for advancing our understanding of their role in emergent phenomena such as superconductivity.In this study,we developed a high-throughput screening framework for the systematic identification and classification of superconducting materials with kagome lattices,integrating them into established materials databases.Leveraging the Materials Project(MP)database and the MDR Super Con dataset,we analyzed over 150000 inorganic compounds and cross-referenced 26000 known superconductors.Using geometry-based structural modeling and experimental validation,we identified 129 kagome superconductors belonging to 17 distinct structural families,many of which had not previously been recognized as kagome systems.The materials are further classified into three categories in terms of topological flat bands,clean band structures,and coexisting magnetic or charge density wave(CDW)orderings.Based on these results,we established a database comprising 129 kagome superconductors,including the detailed crystallographic,electronic,and superconducting properties of these materials.展开更多
Phonon quasiparticles and their anharmonic interactions govern heat transport in insulators.Accurate characterization of phonon frequencies and linewidths,especially beyond the quasiparticle approximation,is essential...Phonon quasiparticles and their anharmonic interactions govern heat transport in insulators.Accurate characterization of phonon frequencies and linewidths,especially beyond the quasiparticle approximation,is essential for understanding anharmonic effects and lattice thermal conductivity.Here,we investigate the anharmonic lattice dynamics and phonon transport in crystalline copper halides CuBiI4 using the self-consistent phonon theory,combined with the Wigner transport formalism and the quasi-harmonic Green–Kubo method.Results show that the three-phonon bubble self-energy substantially renormalizes the phonon dispersion,inducing strong modedependent broadening.Depending on the strength of the anharmonic scattering,phonons exhibit particle-like,wave-like,or overdamped transport characteristics,with broadened states contributing additional coherent thermal transport channels.We establish a consistent description of the overdamped phonon self-energy and advance the microscopic understanding of the strongly anharmonic phonon thermal transport in CuBiI4.Overdamped phonon modes significantly hinder the lattice thermal transport by reducing phonon lifetimes.However,the still well-defined phonon dispersions mitigate carrier scattering induced by the local structural disorder.Anisotropic electrical transport properties are obtained by considering polar and non-polar electroacoustic coupling and ionized impurity scattering mechanisms.Upon electron doping,the thermoelectric figure of merit of n-type CuBiI4 reaches 2.25 at 800 K.展开更多
The layered van der Waals(vdW)ferroelectric CuInP2S6(CIPS)exhibits unique cation-hopping-driven phenomena that bring about unconventional properties with intriguing mechanisms and hold promise for advanced application...The layered van der Waals(vdW)ferroelectric CuInP2S6(CIPS)exhibits unique cation-hopping-driven phenomena that bring about unconventional properties with intriguing mechanisms and hold promise for advanced applications in nanoelectronics.However,an explicit analysis of its lattice dynamics and vibrational symmetries,pivotal for understanding the material’s peculiar ferroelectric and ferroionic behaviors,remains incomplete.Here,we employ angle-resolved polarized Raman spectroscopy in concert with first-principles calculations to systematically unravel the anisotropic lattice vibrations of CIPS single crystals.By analyzing the polarization-dependent Raman intensities,we determine the symmetry assignments and Raman tensors of all major vibrational modes,revealing good agreement with theoretical predictions.Furthermore,we demonstrate the utility of Raman spectroscopy as a sensitive and non-invasive probe for structural and ferroelectric order evolution by examining temperature-driven phase transitions and thickness-dependent polarization suppression in CIPS.Our findings establish a foundational framework for correlating lattice dynamics with functional properties in CIPS and provide a methodological blueprint for studying other vdW ferroelectrics.展开更多
基金supported by the Khalifa University of Science and Technology internal grants(Nos.2021-CIRA-109,2020-CIRA-007,and 2020-CIRA-024).
文摘Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-inspired lattice structures feature a square-grid 2D lattice with double diagonal bracings and are additively manufactured via digital light processing(DLP).The collapse strength and energy absorption capacity of sea sponge lattice structures are evaluated under various impact conditions and are compared to those of their constituent square-grid and double diagonal lattices.This study demonstrates that sea sponge lattices can achieve an 11-fold increase in energy absorption compared to the square-grid lattice,due to the stabilizing effect of the double diagonal bracings prompting the structure to collapse layer-bylayer under impact.By adjusting the thickness ratio in the sea sponge lattice,up to 76.7%increment in energy absorption is attained.It is also shown that sea-sponge lattices outperform well-established energy-absorbing materials of equal weight,such as hexagonal honeycombs,confirming their significant potential for impact mitigation.Additionally,this research highlights the enhancements in energy absorption achieved by adding a small amount(0.015 phr)of Multi-Walled Carbon Nanotubes(MWCNTs)to the photocurable resin,thus unlocking new possibilities for the design of innovative lightweight structures with multifunctional attributes.
基金supported by the Foundation of Yunnan Province(Nos.202301AU070021,202201BE070001-027)the Test Foundation of KUST(No.2022T20210208).
文摘Halide perovskite materials have received considerable attention for solar cells,LEDs,lasers etc.owing to their controllable physicochemical properties and structural advantages.However,little research has focused on energy storage and conversion applications,such as use as anodes in lithium-ion batteries.In this paper,all-inorganic lead-free halide perovskite Cs_(3)Bi_(2)Cl_(9)powders were synthesized by the grinding method,and the lattice was successfully adjusted via introducing Mn^(2+).The characterization results show that Mn-ion substitution can cause local lattice distortion to restructure the lattice,which will cause a mixed arrangement of[BiCl_(6)]octahedra to improve the performance of the anode material.This new material can provide a feasible solution for solving the problem of low specific capacity anode materials caused by unstable crystal structures,and also indicates that such perovskites with unique crystal structures and lattice tunability have broad application prospects in lithium-ion batteries.
基金supports from the National Natural Science Foundation of China(22375220,U2001214,22471302)the Guangdong Basic and Applied Basic Research Foundation(2024B1515020101)Open Project Fund from State Key Laboratory of Optoelectronic Materials and Technologies(OEMT-2024-KF-08).
文摘Formamidinium lead iodide(FAPbI_(3))perovskite exhibits an impressive X-ray absorption coefficient and a large carrier mobility-lifetime product(μτ),making it as a highly promising candidate for X-ray detection application.However,the presence of larger FA^(+)cation induces to an expansion of the Pb-I octahedral framework,which unfortunately affects both the stability and charge carrier mobility of the corresponding devices.To address this challenge,we develop a novel low-dimensional(HtrzT)PbI_(3) perovskite featuring a conjugated organic cation(1H-1,2,4-Triazole-3-thiol,HtrzT^(+))which matches well with theα-FAPbI_(3) lattices in two-dimensional plane.Benefiting from the matched lattice between(HtrzT)PbI_(3) andα-FAPbI_(3),the anchored lattice enhances the Pb-I bond strength and effectively mitigates the inherent tensile strain of theα-FAPbI_(3) crystal lattice.The X-ray detector based on(HtrzT)PbI_(3)(1.0)/FAPbI_(3) device achieves a remarkable sensitivity up to 1.83×10^(5)μC Gy_(air)^(−1) cm^(−2),along with a low detection limit of 27.6 nGy_(air) s^(−1),attributed to the release of residual stress,and the enhancement in carrier mobility-lifetime product.Furthermore,the detector exhibits outstanding stability under X-ray irradiation with tolerating doses equivalent to nearly 1.17×10^(6) chest imaging doses.
基金funding support from General Research Fund[Project No.14300525]from the Research Grants Council(RGC)of Hong Kong SAR,Chinafunding support from Natural Science Foundation of China(NSFC)Young Scientists Fund(Project No.22305203)+2 种基金NSFC Projects Nos.22309123,22422303,22303011,22033002,92261112 and U21A20328support from the Hong Kong Branch of National Precious Metals Material Engineering Research Center(NPMM)at City University of Hong Kongsupport from Young Collaborative Research Grant[Project No.C1003-23Y]support from RGC of Hong Kong SAR,China.
文摘Electrocatalytic nitric oxide(NO)reduction reaction(NORR)is a promising and sustainable process that can simultaneously realize green ammonia(NH3)synthesis and hazardous NO removal.However,current NORR performances are far from practical needs due to the lack of efficient electrocatalysts.Engineering the lattice of metal-based nanomaterials via phase control has emerged as an effective strategy to modulate their intrinsic electrocatalytic properties.Herein,we realize boron(B)-insertion-induced phase regulation of rhodium(Rh)nanocrystals to obtain amorphous Rh_(4)B nanoparticles(NPs)and hexagonal close-packed(hcp)RhB NPs through a facile wet-chemical method.A high Faradaic efficiency(92.1±1.2%)and NH_(3) yield rate(629.5±11.0μmol h^(−1) cm^(−2))are achieved over hcp RhB NPs,far superior to those of most reported NORR nanocatalysts.In situ spectro-electrochemical analysis and density functional theory simulations reveal that the excellent electrocatalytic performances of hcp RhB NPs are attributed to the upshift of d-band center,enhanced NO adsorption/activation profile,and greatly reduced energy barrier of the rate-determining step.A demonstrative Zn-NO battery is assembled using hcp RhB NPs as the cathode and delivers a peak power density of 4.33 mW cm−2,realizing simultaneous NO removal,NH3 synthesis,and electricity output.
基金Supported by the National Natural Science Foundation of China(52201350,52201394,and 52271301)the Innovation Group Project of Southern Marine Science and Engineering Guangdong Laboratory(Zhuhai)(Grant No.SML2022008).
文摘To explore the relationship between dynamic characteristics and wake patterns,numerical simulations were conducted on three equal-diameter cylinders arranged in an equilateral triangle.The simulations varied reduced velocities and gap spacing to observe flow-induced vibrations(FIVs).The immersed boundary–lattice Boltzmann flux solver(IB–LBFS)was applied as a numerical solution method,allowing for straightforward application on a simple Cartesian mesh.The accuracy and rationality of this method have been verified through comparisons with previous numerical results,including studies on flow past three stationary circular cylinders arranged in a similar pattern and vortex-induced vibrations of a single cylinder across different reduced velocities.When examining the FIVs of three cylinders,numerical simulations were carried out across a range of reduced velocities(3.0≤Ur≤13.0)and gap spacing(L=3D,4D,and 5D).The observed vibration response included several regimes:the desynchronization regime,the initial branch,and the lower branch.Notably,the transverse amplitude peaked,and a double vortex street formed in the wake when the reduced velocity reached the lower branch.This arrangement of three cylinders proved advantageous for energy capture as the upstream cylinder’s vibration response mirrored that of an isolated cylinder,while the response of each downstream cylinder was significantly enhanced.Compared to a single cylinder,the vibration and flow characteristics of this system are markedly more complex.The maximum transverse amplitudes of the downstream cylinders are nearly identical and exceed those observed in a single-cylinder set-up.Depending on the gap spacing,the flow pattern varied:it was in-phase for L=3D,antiphase for L=4D,and exhibited vortex shedding for L=5D.The wake configuration mainly featured double vortex streets for L=3D and evolved into two pairs of double vortex streets for L=5D.Consequently,it well illustrates the coupling mechanism that dynamics characteristics and wake vortex change with gap spacing and reduced velocities.
文摘Oxygen evolution reaction(OER)is often regarded as a crucial bottleneck in the field of renewable energy storage and conversion.To further accelerate the sluggish kinetics of OER,a cation and anion modulation strategy is reported here,which has been proven to be effective in preparing highly active electrocatalyst.For example,the cobalt,sulfur,and phosphorus modulated nickel hydroxide(denoted as NiCoPSOH)only needs an overpotential of 232 mV to reach a current density of 20 mA cm^(–2),demonstrating excellent OER performances.The cation and anion modulation facilitates the generation of high-valent Ni species,which would activate the lattice oxygen and switch the OER reaction pathway from conventional adsorbate evolution mechanism to lattice oxygen mechanism(LOM),as evidenced by the results of electrochemical measurements,Raman spectroscopy and differential electrochemical mass spectrometry.The LOM pathway of NiCoPSOH is further verified by the theoretical calculations,including the upshift of O 2p band center,the weakened Ni–O bond and the lowest energy barrier of rate-limiting step.Thus,the anion and cation modulated catalyst NiCoPSOH could effectively accelerate the sluggish OER kinetics.Our work provides a new insight into the cation and anion modulation,and broadens the possibility for the rational design of highly active electrocatalysts.
文摘For the first time,the linear and nonlinear vibrations of composite rectangular sandwich plates with various geometric patterns of lattice core have been analytically examined in this work.The plate comprises a lattice core located in the middle and several homogeneous orthotropic layers that are symmetrical relative to it.For this purpose,the partial differential equations of motion have been derived based on the first-order shear deformation theory,employing Hamilton’s principle and Von Kármán’s nonlinear displacement-strain relations.Then,the nonlinear partial differential equations of the plate are converted into a time-dependent nonlinear ordinary differential equation(Duffing equation)by applying the Galerkin method.From the solution of this equation,the natural frequencies are extracted.Then,to calculate the non-linear frequencies of the plate,the non-linear equation of the plate has been solved analytically using the method of multiple scales.Finally,the effect of some critical parameters of the system,such as the thickness,height,and different angles of the stiffeners on the linear and nonlinear frequencies,has been analyzed in detail.To confirmthe solution method,the results of this research have been compared with the reported results in the literature and finite elements in ABAQUS,and a perfect match is observed.The results reveal that the geometry and configuration of core ribs strongly affect the natural frequencies of the plate.
基金National Natural Science Foundation of China(22008166)Fundamental Research Program of Shanxi Province(202403021211029,201901D211047).
文摘The conversion of CO_(2)to dimethyl carbonate(DMC)offers a promising route for CO_(2)utilization.In this study,four CeO2 catalysts with distinct nanostructures were synthesized via a template-free hydrothermal method by systematically varying the types and concentrations of precipitants as well as the hydrothermal reaction conditions,and they were employed for DMC synthesis from CO_(2)and methanol.The atomic arrangements of CeO_(2)varied significantly with its morphology,leading to differences in lattice distortion,which directly influenced the concentration of oxygen vacancies.Notably,the CeO_(2)nanospheres,which exhibited the highest lattice distortion and oxygen vacancy concentration,achieved a DMC yield(11.12 mmol/g)48 times greater than that of the nanocubes(0.23 mmol/g).The results indicated that oxygen vacancies played a pivotal role in the catalytic process by facilitating the adsorption and activation of CO_(2)to form bidentate carbonates,as well as activating methanol to generate methoxy species.These processes collectively promoted the formation of the key intermediate(*CH3OCOO).This study proposes a strategy to enhance the oxygen vacancy concentration by increasing lattice distortion,providing valuable insights for designing high-performance CeO_(2)catalysts for DMC synthesis.
基金supported by National Natural Science Foundation of China(22379059)Applied Basic Research Program Project of Liaoning Province(2023JH2/101300224)+4 种基金Service Local Project of the Education Department of Liaoning Province(Enlisting and Leading)(LJKFZ20220201)General Project of the Educational Department of Liaoning Province(LJKMZ20220728)supported by Talent Scientific Research Fund of Liaoning Petrochemical University(2019-XJJL-028)Collaborative Innovation Project of Beijing-Tianjin-Hebei(Tianjin)(22PTXTHZ00020)Basic scientific research project of Liaoning Provincial Department of Education(LJ212410148019)。
文摘The adsorption of CO on different lattice oxygen sites in Cu doped CeO_(2)(111)was studied by DFT method,and the geometrical structure and electronic properties of adsorption systems were analyzed.The results showed that CO interacted with lattice oxygen on the first layer formed CO_(2).However,when adsorbed on the second layer lattice oxygen,carbonate species were formed with the participation of first layer lattice oxygens,i.e.,CO co-adsorbed on first and second layer lattice oxygens.For the second layer adsorption,the absolute CO adsorption energy was big on the Oss nearby Cu.This kind of carbonates was thermodynamically stable,and it was attributed to the facilitation of Cu on CO adsorption,manifested by an electron migration behavior from the C 2p orbitals to the Cu 3d orbitals.However,the absolute CO adsorption energy on the Oss away from Cu was small.Compared to the formation of carbonates,the formation CO_(2)had very small absolute adsorption energy,suggesting the formed carbonates on second layer was stable.Further,when CO adsorbed on the systems with a carbonate,the absolute CO adsorption energy was significantly smaller than that of the non-carbonated system,indicating that the formation of carbonates inhibited CO oxidation on Cu/CeO_(2)(111).Therefore,the formation of carbonates was unfavorable for CO oxidation reaction on Cu/CeO_(2)(111).The results of this study provide theoretical support for the negative effect of CO_(2)on ceria-based catalysts.
基金National Natural Science Foundation of China(12102410)Fund of National Key Laboratory of Shock Wave and Detonation Physics(JCKYS2022212005)。
文摘The lattice parameter,measured with sufficient accuracy,can be utilized to evaluate the quality of single crystals and to determine the equation of state for materials.We propose an iterative method for obtaining more precise lattice parameters using the interaction points for the pseudo-Kossel pattern obtained from laser-induced X-ray diffraction(XRD).This method has been validated by the analysis of an XRD experiment conducted on iron single crystals.Furthermore,the method was used to calculate the compression ratio and rotated angle of an LiF sample under high pressure loading.This technique provides a robust tool for in-situ characterization of structural changes in single crystals under extreme conditions.It has significant implications for studying the equation of state and phase transitions.
基金support from No.NSF CMMI 1536811 through the University of PittsburghC.M.W.was supported by the PNNL LDRD program.Bin Li thanks for the support from Nos.NSF CMMI 1635088,2016263,and 2032483+1 种基金This work was performed,in part,at the William R.Wiley Environmental Molecular Sciences Laboratory,a national scientific user facility sponsored by the U.S.Department of Energy,Office of Biological and Environmental Research,and located at PNNLPNNL is operated by Battelle for the U.S.Department of Energy under contract No.DE-AC05-76RLO1830.
文摘In-situ high-resolution transmission electron microscopy(HRTEM)is performed to investigate the de-formation behavior of hexagonal close-packed rhenium(Re)which is compressed along the{1-100}di-rection.Atomistic simulations are also conducted to better understand the deformation mechanisms.Two types of lattice reorientation are observed during compression.The first type involves the reori-entation of one lattice by∼90°around{11-20},which is accomplished by the formation of an interme-diate face-center-cubic(FCC)phase at the interface.This transformation sequence can be described as{1-100}matrix→{111}FCC→(0001)twin.In the second type,a new grain is formed but does not satisfy any known twin relationship with the matrix,and an intermediate FCC phase is also formed.The transfor-mation sequence can be described as{1¯101}matrix→{111}FCC→(0001)grain.Mechanisms responsible for the observed lattice reorientation and sequential phase transitions are analyzed by conducting lattice correspondence analyses on the simulation results.Strain accommodation is also analyzed to explain the mechanisms for lattice reorientation and the intermediate phase transformations.The results provide new insight into the deformation behavior of HCP metals.
基金supported by the National Natural Science Foundation of China(Grant No.12204482),the Natural Science Foundation of Shanxi Province(Grant No.202403021221164)Higher education teaching reform and innovation project of Shanxi Province(Grant No.J20220480)the Natural Science Foundation of Hainan Province(Grant Nos.525MS080 and 225MS076).
文摘Lead-free halide double perovskites(HDPs)provide a promising platform for high-performance thermoelectric due to their intrinsically ultralow lattice thermal conductivity k_(l).In this study,we comprehensively investigate the lattice dynamics of Cs_(2)AgInCl_(6)using first-principles calculations.By explicitly incorporating four-phonon scattering and wave-like phonon tunneling,we predict a k_(l)of 0.52 W·m^(-1)·K^(-1)with a remarkably weak temperature dependence(k_(l)∝T^(-0.31)),confirming the intrinsically glass-like ultralow k_(l)in Cs_(2)AgInCl_(6).Further analyses reveal that hierarchical chemical bonds,loosely bonded rattling atoms and a mixed crystalline-liquid state collectively induce strong anharmonicity manifested in flat phonon modes.These factors dominate the glass-like thermal transport component of k_(l).This work uncovers the underlying mechanisms governing the unusual thermal transport properties in lead-free HDPs and offers guiding principles for designing novel energy conversion technologies.
基金supported by the National Key R&D Program of China(Grant No.2021YFF0603802)the National Natural Science Foundation of China(Grant No.61905231)+1 种基金the State Administration for Market Regulation(Grant No.CXTD202301)the Innovation Program for Quantum Science and Technology(Grant No.2021ZD0300902)。
文摘Two^(87)Sr optical lattice clocks(OLCs)are being developed and operated at the National Institute of Metrology(NIM),located on different campuses that are 40km apart.In order to compare the optical frequencies of these two Sr OLCs,a 58-km noise canceled fiber link is built to transfer both a 1542-nm transfer laser and a microwave reference from Changping campus to Hepingli campus.Two commercial optical frequency combs(OFCs)with adapted single-branch 698/1542nm outputs coherently unite the two 698-nm clock lasers and the 1542-nm transfer laser.The fractional instability of the comparison yields 3.1×10^(−17)at 10000 s averaging time.The measured fractional frequency difference between these two Sr OLCs was evaluated to be 1.9(3.2)×10^(−17),which is within their claimed uncertainties.This result demonstrates the consistency of their frequencies when they serve as optical frequency standards.Our remote comparison demonstrates the feasibility of optical clock comparison through a long-distance fiber link and contributes to the progress of redefinition of the SI second.
基金supported by China Postdoctoral Science Foundation(2024M750225).
文摘This article extends the foundational work of Wang and Wang on modal logic over lattices.Building upon their framework using polyadic modal logic with binary modalities<sup>and<inf>under standard Kripke semantics to axiomatize lattice structures,we focus on the modal characterization of bounded lattices and their extensions relevant to logical systems.By introducing nullary modalities 1(maximum element)and 0(minimum element),we first establish a modal axiomatic system for bounded lattices.Subsequently,we provide pure formula characterizations of complementation and orthocomplementation relations in lattices,along with corresponding completeness results.As key applications,we present modal characterizations of fundamental logical algebraic structures:Boolean algebras,orthomodular lattices,and Heyting algebras.The last section develops novel axiomatization results for atomic lattices and atomless lattices.Throughout this work,all axiomatic systems are shown to be strongly complete via pureformula extensions,demonstrating how hybrid modal languages with nullary operators can uniformly capture boundary elements,complementation properties,and latticetheoretic operations central to both classical and nonclassical logics.
基金supported by the National Natural Science Foundation of China (Grant Nos.12247103,12204377,12275263)the Quantum Science and Technology National Science and Technology Major Project (Grant No.2021ZD0301900)+1 种基金the Natural Science Foundation of Fujian province of China (Grant No.2023J02032)the Youth Innovation Team of Shaanxi Universities。
文摘The celebrated antiferromagnetic(AFM) phase transition was realized in a most recent optical lattice experiment for the 3D fermionic Hubbard model [Shao et al. Nature 632 267(2024)]. Despite this important progress, it was observed that the AFM structure factor(and also the critical entropy) reaches its maximum at an interaction strength U/t■11.75, which is significantly larger than the theoretical prediction of U/t■8. Here,we resolve this discrepancy by studying the interplay between the thermal entropy, density disorder, and antiferromagnetism in the half-filled 3D Hubbard model, using numerically exact auxiliary-field quantum Monte Carlo simulations. We have achieved an accurate entropy phase diagram, enabling us to simulate arbitrary entropy path on the temperature-interaction plane and track experimental parameters effectively. We find that above the discrepancy can be quantitatively explained by the entropy increase associated with increasing interaction strength in experiments, and together with the lattice density disorder present in the experimental setup. We further investigate the entropy dependence of double occupancy and predict universal behaviors that could serve as valuable probes in future optical lattice experiments.
基金supported by the National Key Research and Development Program of China(Grant No.2018YFE0202600)the National Natural Science Foundation of China(Grant No.52272268)+3 种基金the Key Research Program of Frontier SciencesCAS(Grant No.QYZDJ-SSWSLH013)the Informatization Plan of Chinese Academy of Sciences(Grant No.CAS-WX2021SF-0102)the Youth Innovation Promotion Association of CAS(Grant No.2019005)。
文摘The kagome lattice,characterized by a hexagonal arrangement of corner-sharing equilateral triangles,has garnered significant attention as a fascinating quantum material system that hosts exotic magnetic and electronic properties.The identification and characterization of this class of materials are critical for advancing our understanding of their role in emergent phenomena such as superconductivity.In this study,we developed a high-throughput screening framework for the systematic identification and classification of superconducting materials with kagome lattices,integrating them into established materials databases.Leveraging the Materials Project(MP)database and the MDR Super Con dataset,we analyzed over 150000 inorganic compounds and cross-referenced 26000 known superconductors.Using geometry-based structural modeling and experimental validation,we identified 129 kagome superconductors belonging to 17 distinct structural families,many of which had not previously been recognized as kagome systems.The materials are further classified into three categories in terms of topological flat bands,clean band structures,and coexisting magnetic or charge density wave(CDW)orderings.Based on these results,we established a database comprising 129 kagome superconductors,including the detailed crystallographic,electronic,and superconducting properties of these materials.
基金supported by the National Natural Science Foundation of China(Grant Nos.12574028,U2330104,and 12074381)Guang-dong Basic and Applied Basic Research Foundation(Grant No.2024A1515010484)。
文摘Phonon quasiparticles and their anharmonic interactions govern heat transport in insulators.Accurate characterization of phonon frequencies and linewidths,especially beyond the quasiparticle approximation,is essential for understanding anharmonic effects and lattice thermal conductivity.Here,we investigate the anharmonic lattice dynamics and phonon transport in crystalline copper halides CuBiI4 using the self-consistent phonon theory,combined with the Wigner transport formalism and the quasi-harmonic Green–Kubo method.Results show that the three-phonon bubble self-energy substantially renormalizes the phonon dispersion,inducing strong modedependent broadening.Depending on the strength of the anharmonic scattering,phonons exhibit particle-like,wave-like,or overdamped transport characteristics,with broadened states contributing additional coherent thermal transport channels.We establish a consistent description of the overdamped phonon self-energy and advance the microscopic understanding of the strongly anharmonic phonon thermal transport in CuBiI4.Overdamped phonon modes significantly hinder the lattice thermal transport by reducing phonon lifetimes.However,the still well-defined phonon dispersions mitigate carrier scattering induced by the local structural disorder.Anisotropic electrical transport properties are obtained by considering polar and non-polar electroacoustic coupling and ionized impurity scattering mechanisms.Upon electron doping,the thermoelectric figure of merit of n-type CuBiI4 reaches 2.25 at 800 K.
基金supported by the National Natural Science Foundation of China(Grant Nos.12474089,12574102 for L.Y.and L.F.,and 12404102 for J.Z.)the Priority Academic Program Development(PAPD)of Jiangsu Higher Education Institutions(for L.Y.and L.F.)+2 种基金the Natural Science Foundation of the Jiangsu Province(Grant No.BK20230806 for J.Z.)Southeast University Interdisciplinary Research Program for Young Scholars(Grant No.2024FGC1008 for J.Z.)the support by the State Key Laboratory of Solid State Microstructures(Nanjing University)(No.M37067)。
文摘The layered van der Waals(vdW)ferroelectric CuInP2S6(CIPS)exhibits unique cation-hopping-driven phenomena that bring about unconventional properties with intriguing mechanisms and hold promise for advanced applications in nanoelectronics.However,an explicit analysis of its lattice dynamics and vibrational symmetries,pivotal for understanding the material’s peculiar ferroelectric and ferroionic behaviors,remains incomplete.Here,we employ angle-resolved polarized Raman spectroscopy in concert with first-principles calculations to systematically unravel the anisotropic lattice vibrations of CIPS single crystals.By analyzing the polarization-dependent Raman intensities,we determine the symmetry assignments and Raman tensors of all major vibrational modes,revealing good agreement with theoretical predictions.Furthermore,we demonstrate the utility of Raman spectroscopy as a sensitive and non-invasive probe for structural and ferroelectric order evolution by examining temperature-driven phase transitions and thickness-dependent polarization suppression in CIPS.Our findings establish a foundational framework for correlating lattice dynamics with functional properties in CIPS and provide a methodological blueprint for studying other vdW ferroelectrics.
