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
Lattice materials have demonstrated promising potential in engineering applications owing to their exceptional lightweight,high specific strength,and tunable mechanical properties.However,the traditional homogenizatio...Lattice materials have demonstrated promising potential in engineering applications owing to their exceptional lightweight,high specific strength,and tunable mechanical properties.However,the traditional homogenization methods based on the classical elasticity theory struggle to accurately describe the non-classical mechanical behaviors of lattice materials,especially when dealing with complex unit-cell geometries featured by non-symmetric configurations or non-single central node connections.In response to this limitation,this study establishes a generalized homogenization model based on the micropolar theory framework,employing Hill's boundary conditions to precisely predict the equivalent moduli of complex lattice materials.By introducing the independent rotational degree of freedom(DOF)characteristic of the micropolar theory,the proposed model successfully overcomes the limitation of conventional methods in accurately describing the asymmetric deformation and scale effects.We initially calculate the constitutive relations of two-dimensional(2D)cross-shaped multi-node chiral lattices and subsequently extend the method to three-dimensional(3D)lattices,successfully predicting the mechanical properties of both traditional and eccentric body-centered cubic(BCC)lattices.The theoretical model is validated through the finite element numerical verification which shows excellent consistency with the theoretical predictions.A further parametric study investigates the influence of geometric parameters,revealing the underlying size-effect mechanism.This paper provides a reliable theoretical tool for the design and property optimization of complex lattice materials.展开更多
The water hammer problem is an important issue in the dynamics of liquid propulsion system.This paper aims to use the Lattice Boltzmann Method(LBM)with entropy limiter to study the water hammer problems in propellant ...The water hammer problem is an important issue in the dynamics of liquid propulsion system.This paper aims to use the Lattice Boltzmann Method(LBM)with entropy limiter to study the water hammer problems in propellant feedlines.The dynamic characteristics of valve-closing water hammer and filling water hammer are investigated by this method,and the sensitivity of filling water hammer is analyzed with a single factor sensitivity analysis with 8 factors and 9 levels and a multi-factor sensitivity analysis with L_(27)(3^(13))orthogonal experiment based on range method.It is found that the solving result of LBM with entropy limiter is basically in good agreement with finite volume method,and using the entropy limiter can eliminate numerical oscillations when solving valve-closing water hammer problems and solve the numerical"blow up"when solving filling water hammer problems.It can be seen that the dynamic characteristics of valve-closing water hammer are relatively simple,while there are many factors that affect the filling water hammer and the degree of these effects varies.The effects on the maximum water hammer pressure are relatively uniform,but those on the water hammer response time vary greatly through the skewness analysis.展开更多
Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimizat...Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimization method grounded in the global adjustment of nodal coordinates.First,a build direction is selected to minimize the number of violating struts.Then,an angular-constraint matrix is assembled from strut direction vectors,and analytical sensitivities with respect to nodal coordinates are derived to enable efficient constrained optimization under nonlinear angular inequality constraints.Numerical studies on two complex curved-surface lattices demonstrate that all overhang violations are eliminated while only minor changes are induced in global stiffness and strength.In particular,the maximum displacement of an ergonomic insole varies by only 2.87%after optimization.The results confirm the method’s versatility and engineering robustness,providing a practical approach for additive manufacturing-oriented lattice structure design.展开更多
Two-dimensional(2D)multilayer kagome materials hold significant research value for regulating kagome-related physical properties and exploring quantum effects.However,their development is hindered by the scarcity of a...Two-dimensional(2D)multilayer kagome materials hold significant research value for regulating kagome-related physical properties and exploring quantum effects.However,their development is hindered by the scarcity of available material systems,making the identification of novel 2D multilayer kagome candidates particularly important.In this work,three types of 2D materials with trilayer kagome lattices,namely Sc_(6)S_(5)X_(6)(X=Cl,Br,I),are predicted based on first-principles calculations.These 2D materials feature two kagome lattices composed of Sc atoms and one kagome lattice composed of S atoms.Stability analysis indicates that these materials can exist as free-standing 2D materials.Electronic structure calculations reveal that Sc_(6)S_(5)X_(6)are narrow-bandgap semiconductors(0.76–0.95 e V),with their band structures exhibiting flat bands contributed by Sc-based kagome lattices and Dirac band gaps resulting from symmetry breaking.The sulfur-based kagome lattice in the central layer contributes an independent flat band below the Fermi level.Additionally,Sc_(6)S_(5)X_(6)exhibit high carrier mobility,with hole and electron mobilities reaching up to 10^(3)cm^(2)·V^(-1)·s^(-1),indicating potential applications in low-dimensional electronic devices.This work provides an excellent example for the development of novel multilayer 2D kagome materials.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
The metallic Ni catalyst suffers from strong binding with the*CO intermediate,resulting in poisoning of the catalyst surface.It is feasible to facilitate the generation of CO by alleviating the binding strength of the...The metallic Ni catalyst suffers from strong binding with the*CO intermediate,resulting in poisoning of the catalyst surface.It is feasible to facilitate the generation of CO by alleviating the binding strength of the*CO intermediate on the Ni metal surface through a lattice expansion strategy.Here,Ni_(3)ZnC_(0.7)@C with lattice expansion was synthesized by co-doping with Zn and interstitial C through high-temperature pyrolysis.Structural characterization confirms that the lattice of Ni_(3)ZnC_(0.7)expands by 5.47%compared to Ni due to the co-doping of Zn and interstitial C.The Ni_(3)ZnC_(0.7)@C possesses excellent catalytic performance with Faradaic efficiency(FE)of CO exceeding 90%over a wide potential range from−0.8 to−1.4 V versus reversible hydrogen electrode(vs.RHE)with a peak FECO of 96.6%at−1.0 V vs.RHE.In membrane electrode assembly(MEA)testing,Ni_(3)ZnC_(0.7)@C achieves a FECO of 81.4%at the industrial-level current density of 400 mA cm^(−2).In situ attenuated total reflection surface-enhanced infrared absorption spectroscopy(ATR-SEIRAS)and density functional theory(DFT)calculations reveal that the co-introduction of Zn and interstitial C in the Ni crystal can significantly promote the desorption of*CO intermediate,which facilitates the generation of CO.This study demonstrates a viable way for designing efficient transition metal catalysts for CO_(2)electroreduction through lattice strain engineering.展开更多
We report the SrII optical lattice clock at the National Time Service Center(NTSC).In this system,a blackbody radiation shield with movable lattice mitigates blackbody radiation shifts through active temperature contr...We report the SrII optical lattice clock at the National Time Service Center(NTSC).In this system,a blackbody radiation shield with movable lattice mitigates blackbody radiation shifts through active temperature control.A shallow optical lattice with minimal tunneling minimizes AC Stark shifts.Phase-locked counter-propagating lattice beams and conductive vacuum viewports further reduce systematic uncertainties and a novel initial-state preparation method simplifies the system.Clock transition spectra achieve a linewidth of 2.5 Hz with a 400 ms clock pulse,and self-comparison stability reaches 5.1×10^(-16)at 1 s.These advancements give this clock the potential to be a critical platform for realizing outstanding systematic uncertainties in the future.展开更多
A t-tone coloring of a graph assigns t distinct colors to each vertex with vertices at distance d having fewer than d colors in common.The t-tone chromatic number of a graph is the smallest number of colors used in al...A t-tone coloring of a graph assigns t distinct colors to each vertex with vertices at distance d having fewer than d colors in common.The t-tone chromatic number of a graph is the smallest number of colors used in all t-tone colorings of that graph.In this article,we study t-tone coloring of some finite planar lattices and obtain exact formulas for their t-tone chromatic number.展开更多
Direct regeneration is considered a sustainable solution to the issue of resource recycling and the environmental pollution caused by discarded lithium-ion batteries(LIBs).However,the direct regeneration of spent LiFe...Direct regeneration is considered a sustainable solution to the issue of resource recycling and the environmental pollution caused by discarded lithium-ion batteries(LIBs).However,the direct regeneration of spent LiFePO_(4)cathode materials still faces a formidable challenge that the irregular strains induced by the irreversible FePO_(4)phase after several charge and discharge cycles hinder the regenerative replenishment of Li^(+).This work proposes a lattice stress modulation strategy that reduces FePO_(4)phase into Fe_(2)P_(2)O_(7)phase(reduction of unit cell volume from 271.7 to 122.6Å^(3)),which releases the residual stress,paving continuous transport channels for Li^(+).In addition,the phase transformation reconstructs the FeO6 octahedra,significantly decreasing the migration energy barrier of ions within the lattice.Ultimately,the steric effect is synergistically weakened,facilitating the replenishment of Li^(+)and the elimination of Li-Fe anti-site defects.The regenerated LiFePO_(4)cathodes outperform commercial cathodes(80.2%capacity retention after 1000 cycles at 2 C).This work establishes fundamental principles for the pretreatment stage of the direct regeneration process and provides a paradigm shifting solution for sustainable LIBs recycling technology.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
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
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 CuBiI_(4) 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 CuBiI_(4).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 CuBiI_(4) reaches 2.25 at 800 K.展开更多
The layered van der Waals(vdW)ferroelectric CuInP_(2)S_(6) (CIPS)exhibits unique cation-hopping-driven phenomena that bring about unconventional properties with intriguing mechanisms and hold promise for advanced appl...The layered van der Waals(vdW)ferroelectric CuInP_(2)S_(6) (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
The quantum phase transition between Z_(2) plaquette valence bound solid(PVBS) and superfluid(SF) phases on the planar pyrochlore lattice(square ice) is under debate. To gain further insight, here, we focus on the dyn...The quantum phase transition between Z_(2) plaquette valence bound solid(PVBS) and superfluid(SF) phases on the planar pyrochlore lattice(square ice) is under debate. To gain further insight, here, we focus on the dynamical features of the hard-core Bose–Hubbard model on this lattice and study the excitation spectra by combining stochastic analytic continuation and quantum Monte Carlo simulation. In both PVBS and SF phases,a flat band with bow-tie structure is observed and can be explained by certain symmetries. At the transition point,the spectra turn to be continuous and gapless. A(2+1)-dimensional Abelian–Higgs model with mixed 't Hooft anomaly is proposed to describe the transition, where the anomaly matching predicts that the deconfinement can exist on the domain walls. From the snapshot of the spin configuration in real space, we found the existence of the domain wall. We also found that the spectrum along a specific path in momentum space from PVBS phase to the transition point can be well described by an XXZ spin chain, and the critical theory of XXZ spin chain matches the anomaly. The two-spinon continuum along this specific path implies additional domain walls(point defect) can emerge in the domain walls(line defect) and take the role of deconfinement at the transition point.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
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
Our main objective is to study properties of a fuzzy ideals(fuzzy dual ideals).A study of special types of fuzzy ideals(fuzzy dual ideals) is also furnished.Some properties of a fuzzy ideals(fuzzy dual ideals) are fur...Our main objective is to study properties of a fuzzy ideals(fuzzy dual ideals).A study of special types of fuzzy ideals(fuzzy dual ideals) is also furnished.Some properties of a fuzzy ideals(fuzzy dual ideals) are furnished.Properties of a fuzzy lattice homomorphism are discussed.Fuzzy ideal lattice of a fuzzy lattice is defined and discussed.Some results in fuzzy distributive lattice are proved.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
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Project supported by the National Natural Science Foundation of China(No.12472077)the supports from Shanghai Gaofeng Project for University Academic Program Development,Fundamental Research Funds for the Central Universities(No.22120240353).
文摘Lattice materials have demonstrated promising potential in engineering applications owing to their exceptional lightweight,high specific strength,and tunable mechanical properties.However,the traditional homogenization methods based on the classical elasticity theory struggle to accurately describe the non-classical mechanical behaviors of lattice materials,especially when dealing with complex unit-cell geometries featured by non-symmetric configurations or non-single central node connections.In response to this limitation,this study establishes a generalized homogenization model based on the micropolar theory framework,employing Hill's boundary conditions to precisely predict the equivalent moduli of complex lattice materials.By introducing the independent rotational degree of freedom(DOF)characteristic of the micropolar theory,the proposed model successfully overcomes the limitation of conventional methods in accurately describing the asymmetric deformation and scale effects.We initially calculate the constitutive relations of two-dimensional(2D)cross-shaped multi-node chiral lattices and subsequently extend the method to three-dimensional(3D)lattices,successfully predicting the mechanical properties of both traditional and eccentric body-centered cubic(BCC)lattices.The theoretical model is validated through the finite element numerical verification which shows excellent consistency with the theoretical predictions.A further parametric study investigates the influence of geometric parameters,revealing the underlying size-effect mechanism.This paper provides a reliable theoretical tool for the design and property optimization of complex lattice materials.
基金supported by the Natural Science BasicResearch Program of Shaanxi,China(No.2021JC-14)。
文摘The water hammer problem is an important issue in the dynamics of liquid propulsion system.This paper aims to use the Lattice Boltzmann Method(LBM)with entropy limiter to study the water hammer problems in propellant feedlines.The dynamic characteristics of valve-closing water hammer and filling water hammer are investigated by this method,and the sensitivity of filling water hammer is analyzed with a single factor sensitivity analysis with 8 factors and 9 levels and a multi-factor sensitivity analysis with L_(27)(3^(13))orthogonal experiment based on range method.It is found that the solving result of LBM with entropy limiter is basically in good agreement with finite volume method,and using the entropy limiter can eliminate numerical oscillations when solving valve-closing water hammer problems and solve the numerical"blow up"when solving filling water hammer problems.It can be seen that the dynamic characteristics of valve-closing water hammer are relatively simple,while there are many factors that affect the filling water hammer and the degree of these effects varies.The effects on the maximum water hammer pressure are relatively uniform,but those on the water hammer response time vary greatly through the skewness analysis.
基金supported by the National Natural Science Foundation of China(Grant Nos.12432005 and 12472116)the Fundamental Research Funds for the Central Universities(DUTZD25240).
文摘Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimization method grounded in the global adjustment of nodal coordinates.First,a build direction is selected to minimize the number of violating struts.Then,an angular-constraint matrix is assembled from strut direction vectors,and analytical sensitivities with respect to nodal coordinates are derived to enable efficient constrained optimization under nonlinear angular inequality constraints.Numerical studies on two complex curved-surface lattices demonstrate that all overhang violations are eliminated while only minor changes are induced in global stiffness and strength.In particular,the maximum displacement of an ergonomic insole varies by only 2.87%after optimization.The results confirm the method’s versatility and engineering robustness,providing a practical approach for additive manufacturing-oriented lattice structure design.
基金supported by the Fundamental Research Funds for the Central Universities(WUT:2024IVA052 and Grant No.104972025KFYjc0089)。
文摘Two-dimensional(2D)multilayer kagome materials hold significant research value for regulating kagome-related physical properties and exploring quantum effects.However,their development is hindered by the scarcity of available material systems,making the identification of novel 2D multilayer kagome candidates particularly important.In this work,three types of 2D materials with trilayer kagome lattices,namely Sc_(6)S_(5)X_(6)(X=Cl,Br,I),are predicted based on first-principles calculations.These 2D materials feature two kagome lattices composed of Sc atoms and one kagome lattice composed of S atoms.Stability analysis indicates that these materials can exist as free-standing 2D materials.Electronic structure calculations reveal that Sc_(6)S_(5)X_(6)are narrow-bandgap semiconductors(0.76–0.95 e V),with their band structures exhibiting flat bands contributed by Sc-based kagome lattices and Dirac band gaps resulting from symmetry breaking.The sulfur-based kagome lattice in the central layer contributes an independent flat band below the Fermi level.Additionally,Sc_(6)S_(5)X_(6)exhibit high carrier mobility,with hole and electron mobilities reaching up to 10^(3)cm^(2)·V^(-1)·s^(-1),indicating potential applications in low-dimensional electronic devices.This work provides an excellent example for the development of novel multilayer 2D kagome materials.
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financial support from the National Natural Science Foundation of China(No.22478278,22308246)the Central Government Guides the Local Science and Technology Development Special Fund(No.YDZJSX20231A015)the Fundamental Research Program of Shanxi Province(No.202203021212266).
文摘The metallic Ni catalyst suffers from strong binding with the*CO intermediate,resulting in poisoning of the catalyst surface.It is feasible to facilitate the generation of CO by alleviating the binding strength of the*CO intermediate on the Ni metal surface through a lattice expansion strategy.Here,Ni_(3)ZnC_(0.7)@C with lattice expansion was synthesized by co-doping with Zn and interstitial C through high-temperature pyrolysis.Structural characterization confirms that the lattice of Ni_(3)ZnC_(0.7)expands by 5.47%compared to Ni due to the co-doping of Zn and interstitial C.The Ni_(3)ZnC_(0.7)@C possesses excellent catalytic performance with Faradaic efficiency(FE)of CO exceeding 90%over a wide potential range from−0.8 to−1.4 V versus reversible hydrogen electrode(vs.RHE)with a peak FECO of 96.6%at−1.0 V vs.RHE.In membrane electrode assembly(MEA)testing,Ni_(3)ZnC_(0.7)@C achieves a FECO of 81.4%at the industrial-level current density of 400 mA cm^(−2).In situ attenuated total reflection surface-enhanced infrared absorption spectroscopy(ATR-SEIRAS)and density functional theory(DFT)calculations reveal that the co-introduction of Zn and interstitial C in the Ni crystal can significantly promote the desorption of*CO intermediate,which facilitates the generation of CO.This study demonstrates a viable way for designing efficient transition metal catalysts for CO_(2)electroreduction through lattice strain engineering.
基金supported by the Innovation Pro-gram for Quantum Science and Technology(Grant Nos.2021ZD0300900 and 2021ZD0300902)the Strate-gic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB35010202)the Operation and Maintenance of Major Scientific and Technological In-frastructure of the Chinese Academy of Sciences(Grant No.2024000014).
文摘We report the SrII optical lattice clock at the National Time Service Center(NTSC).In this system,a blackbody radiation shield with movable lattice mitigates blackbody radiation shifts through active temperature control.A shallow optical lattice with minimal tunneling minimizes AC Stark shifts.Phase-locked counter-propagating lattice beams and conductive vacuum viewports further reduce systematic uncertainties and a novel initial-state preparation method simplifies the system.Clock transition spectra achieve a linewidth of 2.5 Hz with a 400 ms clock pulse,and self-comparison stability reaches 5.1×10^(-16)at 1 s.These advancements give this clock the potential to be a critical platform for realizing outstanding systematic uncertainties in the future.
基金Supported by the National Natural Science Foundation of China(Grant No.12271210)the Scientific Research Foundation of Jimei University(Grant No.Q202201).
文摘A t-tone coloring of a graph assigns t distinct colors to each vertex with vertices at distance d having fewer than d colors in common.The t-tone chromatic number of a graph is the smallest number of colors used in all t-tone colorings of that graph.In this article,we study t-tone coloring of some finite planar lattices and obtain exact formulas for their t-tone chromatic number.
基金supported by the National Natural Science Foundation of China(52433002)Key projects of Shaanxi Province(2023GXLH-001)+2 种基金Key R&D Program of Shandong Province(2022TSGC2569)New Energy Material Innovation Consortium Projects of Yunnan Province(202302AB080018)Natural Science Basic Research Program of Shaanxi(2022TD-27)。
文摘Direct regeneration is considered a sustainable solution to the issue of resource recycling and the environmental pollution caused by discarded lithium-ion batteries(LIBs).However,the direct regeneration of spent LiFePO_(4)cathode materials still faces a formidable challenge that the irregular strains induced by the irreversible FePO_(4)phase after several charge and discharge cycles hinder the regenerative replenishment of Li^(+).This work proposes a lattice stress modulation strategy that reduces FePO_(4)phase into Fe_(2)P_(2)O_(7)phase(reduction of unit cell volume from 271.7 to 122.6Å^(3)),which releases the residual stress,paving continuous transport channels for Li^(+).In addition,the phase transformation reconstructs the FeO6 octahedra,significantly decreasing the migration energy barrier of ions within the lattice.Ultimately,the steric effect is synergistically weakened,facilitating the replenishment of Li^(+)and the elimination of Li-Fe anti-site defects.The regenerated LiFePO_(4)cathodes outperform commercial cathodes(80.2%capacity retention after 1000 cycles at 2 C).This work establishes fundamental principles for the pretreatment stage of the direct regeneration process and provides a paradigm shifting solution for sustainable LIBs recycling technology.
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 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 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 CuBiI_(4) 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 CuBiI_(4).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 CuBiI_(4) 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 CuInP_(2)S_(6) (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.
基金supported by the start-up funding of CQNU (Grant No. 24XLB010)supported by the Science and Technology Research Program of Chongqing Municipal Education Commission (Grant No. KJQN202100514)+3 种基金funding from Chongqing Natural Science Foundation under Grant No. CSTB2022NSCQ-JQX0018the Fundamental Research Funds for the Central Universities Grant No. 2021CDJZYJH-003Xiaomi Foundation/Xiaomi Young Talents Programfunding from the National Science Foundation of China under Grant Nos. 12404169, 12147172, 12274046, 11874094, 12147102, and 12347101。
文摘The quantum phase transition between Z_(2) plaquette valence bound solid(PVBS) and superfluid(SF) phases on the planar pyrochlore lattice(square ice) is under debate. To gain further insight, here, we focus on the dynamical features of the hard-core Bose–Hubbard model on this lattice and study the excitation spectra by combining stochastic analytic continuation and quantum Monte Carlo simulation. In both PVBS and SF phases,a flat band with bow-tie structure is observed and can be explained by certain symmetries. At the transition point,the spectra turn to be continuous and gapless. A(2+1)-dimensional Abelian–Higgs model with mixed 't Hooft anomaly is proposed to describe the transition, where the anomaly matching predicts that the deconfinement can exist on the domain walls. From the snapshot of the spin configuration in real space, we found the existence of the domain wall. We also found that the spectrum along a specific path in momentum space from PVBS phase to the transition point can be well described by an XXZ spin chain, and the critical theory of XXZ spin chain matches the anomaly. The two-spinon continuum along this specific path implies additional domain walls(point defect) can emerge in the domain walls(line defect) and take the role of deconfinement at the transition point.
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UGC,New Delhi for financial support through scheme F.No 33-109/2007(SR)
文摘Our main objective is to study properties of a fuzzy ideals(fuzzy dual ideals).A study of special types of fuzzy ideals(fuzzy dual ideals) is also furnished.Some properties of a fuzzy ideals(fuzzy dual ideals) are furnished.Properties of a fuzzy lattice homomorphism are discussed.Fuzzy ideal lattice of a fuzzy lattice is defined and discussed.Some results in fuzzy distributive lattice are proved.
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.
