In this study,a straightforward one-step hydrothermal method was successfully utilized to synthesize the solid solution Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)-Na_(2)Ni_(2)Ti_(6)O_(16)(NNMTO-x),where x denotes the molar perce...In this study,a straightforward one-step hydrothermal method was successfully utilized to synthesize the solid solution Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)-Na_(2)Ni_(2)Ti_(6)O_(16)(NNMTO-x),where x denotes the molar percentage of Na_(2)Ni_(2)Ti_(6)O_(16)(NNTO)within Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)(NMTO),with x values of 10,20,30,40,and 50.Both XPS(X-ray Photoelectron Spectroscopy)and EDX(Energy Dispersive X-ray Spectroscopy)analyses unequivocally validated the formation of the NNMTO-x solid solutions.It was observed that when x is below 40,the NNMTO-x solid solution retains the structural characteristics of the original NMTO.However,beyond this threshold,significant alterations in crystal morphology were noted,accompanied by a noticeable decline in photocatalytic activity.Notably,the absorption edge of NNMTO-x(x<40)exhibited a shift towards the visible-light spectrum,thereby substantially broadening the absorption range.The findings highlight that NNMTO-30 possesses the most pronounced photocatalytic activity for the reduction of CO_(2).Specifically,after a 6 h irradiation period,the production rates of CO and CH_(4)were recorded at 42.38 and 1.47μmol/g,respectively.This investigation provides pivotal insights that are instrumental in the advancement of highly efficient and stable photocatalysts tailored for CO_(2)reduction processes.展开更多
The poor electrical conductivity of metal-organic frameworks(MOFs)limits their electrocatalytic performance in the oxygen evolution reaction(OER).In this study,a Py@Co-MOF composite material based on pyrene(Py)molecul...The poor electrical conductivity of metal-organic frameworks(MOFs)limits their electrocatalytic performance in the oxygen evolution reaction(OER).In this study,a Py@Co-MOF composite material based on pyrene(Py)molecules and{[Co2(BINDI)(DMA)_(2)]·DMA}_(n)(Co-MOF,H4BINDI=N,N'-bis(5-isophthalic acid)naphthalenediimide,DMA=N,N-dimethylacetamide)was synthesized via a one-pot method,leveragingπ-πinteractions between pyrene and Co-MOF to modulate electrical conductivity.Results demonstrate that the Py@Co-MOF catalyst exhibited significantly enhanced OER performance compared to pure Co-MOF or pyrene-based electrodes,achieving an overpotential of 246 mV at a current density of 10 mA·cm^(-2) along with excellent stability.Density functional theory(DFT)calculations reveal that the formation of O*in the second step is the rate-determining step(RDS)during the OER process on Co-MOF,with an energy barrier of 0.85 eV due to the weak adsorption affinity of the OH*intermediate for Co sites.CCDC:2419276.展开更多
Among various architectures of polymers,end-group-free rings have attracted growing interests due to their distinct physicochemical performances over the linear counterparts which are exemplified by reduced hydrodynam...Among various architectures of polymers,end-group-free rings have attracted growing interests due to their distinct physicochemical performances over the linear counterparts which are exemplified by reduced hydrodynamic size and slower degradation.It is key to develop facile methods to large-scale synthesis of polymer rings with tunable compositions and microstructures.Recent progresses in large-scale synthesis of polymer rings against single-chain dynamic nanoparticles,and the example applications in synchronous enhancing toughness and strength of polymer nanocomposites are summarized.Once there is the breakthrough in rational design and effective large-scale synthesis of polymer rings and their functional derivatives,a family of cyclic functional hybrids would be available,thus providing a new paradigm in developing polymer science and engineering.展开更多
Density functional theory(DFT)calculations were employed to investigate the adsorption behavior of NH_(3),AsH_(3),PH_(3),CO_(2),and CH_(4)molecules on both pristine and mono-vacancy phosphorene sheets.The pristine pho...Density functional theory(DFT)calculations were employed to investigate the adsorption behavior of NH_(3),AsH_(3),PH_(3),CO_(2),and CH_(4)molecules on both pristine and mono-vacancy phosphorene sheets.The pristine phosphorene surface showsweak physisorption with all the gasmolecules,inducing onlyminor changes in its structural and electronic properties.However,the introduction ofmono-vacancies significantly enhances the interaction strength with NH_(3),PH_(3),CO_(2),and CH_(4).These variations are attributed to substantial charge redistribution and orbital hybridization in the presence of defects.The defective phosphorene sheet also exhibits enhanced adsorption energies,along with favorable sensitivity and recovery characteristics,highlighting its potential as a promising gas sensor for NH_(3),AsH_(3),PH_(3),CO_(2),and CH_(4)at ambient conditions.展开更多
In recent years,terbium radioisotopes have been investigated for their potential therapeutic and diagnostic applications in nuclear medicine.This study aimed to investigate the production of ^(152) Tb and ^(155) Tb by...In recent years,terbium radioisotopes have been investigated for their potential therapeutic and diagnostic applications in nuclear medicine.This study aimed to investigate the production of ^(152) Tb and ^(155) Tb by alpha-induced reactions in detail,with a specific focus on determining the optimum production parameters and testing existing nuclear models.Given the limited number of experiments conducted on reactions related to terbium isotope production,it is necessary to perform theoretical calculations of cross sections over a wide energy range to gain a detailed understanding of terbium isotope production.To achieve this objective,the cross sections of the ^(151)Eu(α,n)^(154) Tb reactions were calculated up to 60 MeV using the TALYS computer code with 432 different combinations of optical model parameters,level density,and strength function models.The theoretical reaction cross-section results were compared with the experimental results in the literature.The best input parameters were determined using the Threshold Logic Unit method,and these parameters were used in all isotope production calculations.Once the optimal model combination was determined,the total activity production and isotopic fraction of ^(152) Tb and ^(155) Tb isotopes were calculated in detail for beam energies of 17–50 MeV,different irradiation times,and varying ^(151) Eu and ^(153) Eu target thicknesses.展开更多
Scalability remains a major challenge in building practical fault-tolerant quantum computers.Currently,the largest number of qubits achieved across leading quantum platforms ranges from hundreds to thousands.In atom a...Scalability remains a major challenge in building practical fault-tolerant quantum computers.Currently,the largest number of qubits achieved across leading quantum platforms ranges from hundreds to thousands.In atom arrays,scalability is primarily constrained by the capacity to generate large numbers of optical tweezers,and conventional techniques using acousto-optic deflectors or spatial light modulators struggle to produce arrays much beyond∼10,000 tweezers.Moreover,these methods require additional microscope objectives to focus the light into micrometer-sized spots,which further complicates system integration and scalability.Here,we demonstrate the experimental generation of an optical tweezer array containing 280×280 spots using a metasurface,nearly an order of magnitude more than most existing systems.The metasurface leverages a large number of subwavelength phase-control pixels to engineer the wavefront of the incident light,enabling both large-scale tweezer generation and direct focusing into micron-scale spots without the need for a microscope.This result shifts the scalability bottleneck for atom arrays from the tweezer generation hardware to the available laser power.Furthermore,the array shows excellent intensity uniformity exceeding 90%,making it suitable for homogeneous single-atom loading and paving the way for trapping arrays of more than 10,000 atoms in the near future.展开更多
Subcritical reactors(SCRs)or subcritical assemblies(SCAs)are the main infrastructure for designing power reactors.These reactors are widely used for training and research because of their high level of inherent safety...Subcritical reactors(SCRs)or subcritical assemblies(SCAs)are the main infrastructure for designing power reactors.These reactors are widely used for training and research because of their high level of inherent safety.The objective of this study is to design a subcritical reactor using a pressurized water reactor(PWR)conventional fuel following two safety points.In the first approach,deeply placed SCR cores with an infinite multiplication factor(k_(∞))of less than unity were identified using the DRAGON lattice code.In the second approach,subcritical reactor cores with an effective multiplication factor(k_(eff))of less than unity were determined by coupling the cell calculations of the DRAGON lattice code and core calculations of the DONJON code.For the deeply subcritical reactor design,it was found that the reactor would remain inherently subcritical while using fuel rods with ^(235)U enrichment of up to 0.9%,regardless of the pitch of the fuel rods.In the second approach,the optimal pitches(1.3 to 2.3 cm)were determined for different fuel enrichment values from 1 to 5%.Subsequently,the k_(eff) was obtained for a fuel rod arrangement of 8×8 to 80×80,and the states in which the reactor would be subcritical were determined for different fuel enrichments at the corresponding optimal pitch.To validate the models used in the DRAGON and DONJON codes,the k_(eff) of the Isfahan Light Water Subcritical Reactor(LWSCR)was experimentally measured and compared with the results of the calculations.Finally,the effects of fuel and moderator temperature changes were investigated to ensure that the designed assemblies remained in the subcritical state at all operational temperatures.展开更多
Electron–hole(e–h)recombination is a fundamental process that governs energy dissipation and device efficiency in semiconductors.In two-dimensional(2D)materials,the formation of tightly bound excitons makes exciton-...Electron–hole(e–h)recombination is a fundamental process that governs energy dissipation and device efficiency in semiconductors.In two-dimensional(2D)materials,the formation of tightly bound excitons makes exciton-mediated e–h recombination the dominant decay pathway.In this work,nonradiative e–h recombination within excitons in monolayer MoS_(2) is investigated using first-principles simulations that combine nonadiabatic molecular dynamics with GW and real-time Bethe–Salpeter equation(BSE)propagation.A two-step process is identified:rapid intervalley redistribution induced by exchange interaction,followed by slower phonon-assisted recombination facilitated by exciton binding.By selectively removing the screened Coulomb and exchange terms from the BSE Hamiltonian,their respective contributions are disentangled—exchange interaction is found to increase the number of accessible recombination pathways,while binding reduces the excitation energy and enhances nonradiative decay.A reduction in recombination lifetime by over an order of magnitude is observed due to the excitonic many-body effects.These findings provide microscopic insights for understanding and tuning exciton lifetimes in 2D transition-metal dichalcogenides.展开更多
We prepared Co_(x)Pt_(100-x)(x=40,45,50,55,60)nanoparticles by the sol-gel method.The phase composition and crystal structure,morphology and microstructure,and magnetic properties of the samples were characterized and...We prepared Co_(x)Pt_(100-x)(x=40,45,50,55,60)nanoparticles by the sol-gel method.The phase composition and crystal structure,morphology and microstructure,and magnetic properties of the samples were characterized and tested using X-ray diffraction(XRD),transmission electron microscopy(TEM),and vibrating sample magnetometer(VSM),respectively.The results demonstrate that the coercivity of CoPt nanoparticles can be effectively controlled by adjusting the atomic ratio of Co and Pt in the samples.Among the compositions studied,the Co_(45)Pt_(55)sample synthesized by the sol-gel method exhibits smaller grain size and a coercivity as high as 6.65×10^(5) A/m is achieved.The morphology and microstructure of the nanoparticles were analyzed by TEM images,indicating that a slight excess of Pt can effectively enhance the coercivity of CoPt nanoparticles.展开更多
Based on the generalized reduced R-matrix theory,the R-matrix analysis code(RAC program)was used to analyze the experimental data of all the nuclear reaction channels related to the 5 He system.The current calculation...Based on the generalized reduced R-matrix theory,the R-matrix analysis code(RAC program)was used to analyze the experimental data of all the nuclear reaction channels related to the 5 He system.The current calculations provide accurate and reliable evaluation data and are in good agreement with the experimental data.In this study,self-consistent evaluation data for each reaction were obtained using multi-channel and multi-energy fitting.In particular,the error propagation theory of generalized least squares was used to determine the error of the evaluation data and the covariance matrix of the integral cross section.This R-matrix analysis for the 5 He system has three features.First,for the first time,the error in the evaluation data of the T(d,n)^(4)He reaction cross section and the covariance matrix of the integral cross section are provided.Second,we used only one set of R-matrix parameters to depict the reaction cross section of each reaction channel of the 5 He system for the entire energy region in our work.Third,in this evaluation,we considered some of the latest measured experimental data,especially after 2000.The T(d,n)^(4)He reaction cross section at 0.1 MeV and below was carefully studied.The effect of different energy levels in T(d,n)^(4)He was analyzed,with the energy levels 3/2^(+)making a major contribution to the cross section,and the role of the S-wave and P-wave from 3/2~-determines the lean forward trend of the angular distributions at 0.01–0.1 MeV.展开更多
By employing a full quantum theory of electron-photon scattering in intense laser fields,we calculate the angularresolved radiation rate of the fundamental wave in Thomson scattering.We investigate the dependence of r...By employing a full quantum theory of electron-photon scattering in intense laser fields,we calculate the angularresolved radiation rate of the fundamental wave in Thomson scattering.We investigate the dependence of radiation rate on Euler angles and elucidate the underlying physical mechanism.The figure-8 profile of the radiation rate within the polarization plane is validated,while its evolution with respect to laser intensity and electron momentum is illustrated.Our findings reveal that in lower-intensity laser fields and for slow electron motion,the angular-resolved radiation rate exhibits distinct dipole emission characteristics.However,significant changes are observed at high laser intensities and/or large electron momenta,leading to pronounced alterations in the angular-resolved radiation rate.Remarkably similar variation patterns can be achieved by proportionally adjusting both laser intensity and electron momentum.展开更多
Organic-inorganic metal halides(OIMHs)have emerged as highly promising novel multifunctional optoelectronic materials,owing to their easily adjustable properties from a variety of combinations of different components....Organic-inorganic metal halides(OIMHs)have emerged as highly promising novel multifunctional optoelectronic materials,owing to their easily adjustable properties from a variety of combinations of different components.But it is still difficult and rare to realize highly tunable multicolor luminescence within the same material.In this work,we successfully incorporated three adjustable emission centers in OIMHs to synthesize a novel OIMH(NEA)_(2)MnBr_(4),with each emission center capable of emitting one of the primary colors—red,green,and blue.The green and red emissions originate from the tetrahedron and octahedron structures in the Mn-based frame,while the blue can be attributed to the contribution of organic components.Additionally,to achieve comparable emission intensity among the three primary colors,we enhanced the blue emission performance by optimizing the ratio of organic structure components and incorporating chirality in the OIMHs.The resulting high-quality films can be obtained by spin-coating method with a photoluminescence quantum yields of up to 96%.More interestingly,by the dual manipulation of excitation wavelength and temperature,the sample can be emitted at least seven distinct colors including a standard white luminescence at(0.33,0.33),opening up promising prospects for multicolor luminescence applications such as high-end anti-counterfeiting technology,light-emitting diodes,X-ray imaging,latent fingerprints,humidity detection,and so on.Therefore,based on application scenarios and requirements,our research on this highly tunable luminescent OIMH material lays a solid foundation for further development of various functional properties of related materials.展开更多
The interactions between clouds and aerosols represent one of the largest uncertainties in assessing the Earth's radiation budget, highlighting the importance of research on the transition zone(TZ) within the clou...The interactions between clouds and aerosols represent one of the largest uncertainties in assessing the Earth's radiation budget, highlighting the importance of research on the transition zone(TZ) within the cloud-aerosol continuum.This study assesses the global distribution of TZ conditions, analyzes its optical characteristics, and determines the cloud or aerosol types most commonly associated with them, using the cloud-aerosol discrimination(CAD) score of the CloudAerosol Lidar with Orthogonal Polarization(CALIOP) instrument on the CALIPSO satellite. The CAD score classifies clouds and aerosols by the probability density functions of attenuated backscatter, total color ratio, volume depolarization ratio, altitude, and latitude. After applying several filters to avoid artifacts, the TZ was identified as those atmospheric layers that cannot be clearly classified as clouds or aerosols, layers within the no-confidence range(NCR) of the CAD score, and cirrus fringes. The optical characteristics of NCR layers exhibit two main clusters: Cluster 1, with properties between high-altitude ice clouds and aerosols(e.g., wispy cloud fragments), and Cluster 2, with properties between water clouds and aerosols at lower altitudes(e.g., large hydrated aerosols). Our results highlight the significant ubiquity of TZ conditions, which appear in 9.5% of all profiles and comprise 6.4% of the detected layers. Cluster 1 and cirrus-fringe layers predominate near the ITCZ and in mid-latitudes, whereas Cluster 2 layers are more frequent over the oceans along the central West African and East Asian coasts, where elevated smoke and dusty marine aerosols are common.展开更多
Superconducting elect rides have attracted growing attention for their potential to achieve high superconducting transition temperatures(T_(C))under pressure.However,many known elect rides are chemically reactive and ...Superconducting elect rides have attracted growing attention for their potential to achieve high superconducting transition temperatures(T_(C))under pressure.However,many known elect rides are chemically reactive and unstable,making high-quality single-crystal growth,characterization,and measurements difficult,and most do not exhibit superconductivity at ambient pressure.In contrast,La_(3) In stands out for its ambient-pressure superconductivity(T_(C)∼9.4 K)and the availability of high-quality single crystals.Here,we investigate its low-energy electronic structure using angle-resolved photoemission spectroscopy and first-principles calculations.The bands near the Fermi energy(E_(F))are mainly derived from La 5d and In 5p orbitals.A saddle point is directly observed at the Brillouin zone(BZ)boundary,while a three-dimensional Van Hove singularity crosses E_(F) at the BZ corner.First-principles calculations further reveal topological Dirac surface states within the bulk energy gap above E_(F).The coexistence of a high density of states and in-gap topological surface states near𝐸F suggests that La3In offers a promising platform for tuning superconductivity and exploring possible topological superconducting phases through doping or external pressure.展开更多
The evaporation residual cross sections(ERCSs)of these reactions were calculated by using^(144)Sm,^(160,164)Dy,^(165)Ho,^(166)Er,^(169)Tm,^(171,174)Yb,^(175)Lu,^(176-180)Hf,^(181)Ta,^(180,182)W and^(187)Re targets wit...The evaporation residual cross sections(ERCSs)of these reactions were calculated by using^(144)Sm,^(160,164)Dy,^(165)Ho,^(166)Er,^(169)Tm,^(171,174)Yb,^(175)Lu,^(176-180)Hf,^(181)Ta,^(180,182)W and^(187)Re targets with^(40)Ar projectiles in the theoretical framework of the dinuclear system(DNS)model.The de-excitation process of the compound nucleus was theoretically calculated using two different statistical models,namely the statistical model 1 and statistical model 2(GEMINI++model).The calculated ERCSs were also compared with the experimental data.The ERCSs of synthesizing new proton-rich nuclides were investigated based on the fusion evaporation reaction.Predictions were made for the ERCSs of new isotopes of Pu,Cm and Bk in the heavy nuclei region,while the new isotopes of Ds,Cn and Fl are predicted in the superheavy nuclei region of Z≥104.展开更多
This study presents a numerical investigation of the transient relaxation dynamics of a near-critical CO_(2)droplet immersed in a warmer supercritical environment composed of the same fluid.Three thermodynamic regimes...This study presents a numerical investigation of the transient relaxation dynamics of a near-critical CO_(2)droplet immersed in a warmer supercritical environment composed of the same fluid.Three thermodynamic regimes were analysed:quasi-critical(T_(r)=1.01,P_(r)=1.01),transitional(T_(r)=2.01,P_(r)=1.01),and deep supercritical(T_(r)=5.01,P_(r)=3.01).Theevolution of density,temperature,and velocity fieldswas examined to characterize the internal structure and stability of the interfacial transition layer.The evolution of density,temperature,and velocity fields highlights the competition between thermal diffusion,compressibility,andmass confinement in shaping the stability of the interfacial transition layer.Near the critical point,strong gradients and flux discontinuities emerge,consistent with known instabilities,whereas higher reduced conditions promote homogenization and stabilized transport.In the deep supercritical regime,smooth and nearly uniform fields indicate robust thermal stability.The model is validated against prior studies on droplet evaporation under supercritical and trans-critical conditions.Beyond theoretical insights,the results underline practical implications for advanced propulsion,heat transfer,and evaporation systems as well as for safe CO_(2)supercritical storage and extraction processes in energy,aerospace,pharmaceutical,and materials industries.展开更多
This study investigates the plastic deformation behaviour of the AZ31 magnesium alloy under various uniaxial loading conditions using in-situ neutron diffraction,the crystallite group method(CGM),and crystal plasticit...This study investigates the plastic deformation behaviour of the AZ31 magnesium alloy under various uniaxial loading conditions using in-situ neutron diffraction,the crystallite group method(CGM),and crystal plasticity modelling.A key novelty of this work is the direct,model independent determination of resolved shear stress(RSS)values for individual slip and twinning systems,as well as their critical values(CRSS),derived from lattice strains in grains with preferred orientations.The experiment was extended beyond the conventional loading paths along the normal direction(ND)and rolling direction(RD)to include compression at angles of 30°and 60°from the ND(referred to as NDC30 and NDC60 tests),which had not been investigated in previous studies.Notably,the NDC30 test,combined with diffraction measurements,was specifically designed to activate basal slip in the majority of grains while minimizing twinning,enabling clear identification of this slip system and accurate determination of its CRSS.For the first time,hardening parameters were determined by comparing the model predicted values of RSS with those obtained from diffraction measurements for each active system.These data,together with the results of macroscopic tests,were used to calibrate an elastic-plastic self-consistent(EPSC)model,which accurately reproduced stress partitioning under applied load,texture evolution,and twin activity.The integrated methodology enhances the reliability of CRSS input and improves the modelling of anisotropic plasticity in magnesium alloys by tuning intergranular interactions based on a modified Eshelby inclusion approach.展开更多
Based on the Smit-Suhl formula,we propose a universal approach for solving the magnon-magnon coupling problem in bilayer coupled systems(e.g.,antiferromagnets).This method requires only the energy expression,enabling ...Based on the Smit-Suhl formula,we propose a universal approach for solving the magnon-magnon coupling problem in bilayer coupled systems(e.g.,antiferromagnets).This method requires only the energy expression,enabling the automatic derivation of analytical expressions for the eigenmatrix elements via symbolic computation,eliminating the need for tedious manual calculations.Using this approach,we investigate the impact of magnetic hysteresis on magnon-magnon coupling in a system with interlayer Dzyaloshinskii-Moriya interaction(DMI).The magnetic hysteresis leads to an asymmetric magnetic field dependence of the resonance frequency and alters the number of degeneracy points between the pure optical and acoustic modes.Moreover,it can result in the coupling strength at the gap of the f–H phase diagram being nearly vanishing,contrary to the conventionally expected maximum.These results deepen the understanding of the effect of interlayer DMI on magnon–magnon coupling and the proposed universal method significantly streamlines the solving process of magnon–magnon coupling problems.展开更多
The solution processibility of perovskites provides a costeffective and high-throughput route for fabricating state-of-the-art solar cells.However,the fast kinetics of precursor-to-perovskite transformation is suscept...The solution processibility of perovskites provides a costeffective and high-throughput route for fabricating state-of-the-art solar cells.However,the fast kinetics of precursor-to-perovskite transformation is susceptible to processing conditions,resulting in an uncontrollable variance in device performance.Here,we demonstrate a supramolecule confined approach to reproducibly fabricate perovskite films with an ultrasmooth,electronically homogeneous surface.The assembly of a calixarene capping layer on precursor surface can induce host-vip interactions with solvent molecules to tailor the desolvation kinetics,and initiate the perovskite crystallization from the sharp molecule-precursor interface.These combined effects significantly reduced the spatial variance and extended the processing window of perovskite films.As a result,the standard efficiency deviations of device-to-device and batch-to-batch devices were reduced from 0.64-0.26%to 0.67-0.23%,respectively.In addition,the perovskite films with ultrasmooth top surfaces exhibited photoluminescence quantum yield>10%and surface recombination velocities<100 cm s^(-1)for both interfaces that yielded p-i-n structured solar cells with power conversion efficiency over 25%.展开更多
基金Supported by the Doctoral Research Start-up Project of Yuncheng University(YQ-2023067)Project of Shanxi Natural Science Foundation(202303021211189)+1 种基金Fund Program for the Scientific Activities of Selected Returned Overseas Professionals in Shanxi Provinces(20220036)Shanxi ProvinceIntelligent Optoelectronic Sensing Application Technology Innovation Center and Shanxi Province Optoelectronic Information Science and TechnologyLaboratory,Yuncheng University.
文摘In this study,a straightforward one-step hydrothermal method was successfully utilized to synthesize the solid solution Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)-Na_(2)Ni_(2)Ti_(6)O_(16)(NNMTO-x),where x denotes the molar percentage of Na_(2)Ni_(2)Ti_(6)O_(16)(NNTO)within Na_(0.9)Mg_(0.45)Ti_(3.55)O_(8)(NMTO),with x values of 10,20,30,40,and 50.Both XPS(X-ray Photoelectron Spectroscopy)and EDX(Energy Dispersive X-ray Spectroscopy)analyses unequivocally validated the formation of the NNMTO-x solid solutions.It was observed that when x is below 40,the NNMTO-x solid solution retains the structural characteristics of the original NMTO.However,beyond this threshold,significant alterations in crystal morphology were noted,accompanied by a noticeable decline in photocatalytic activity.Notably,the absorption edge of NNMTO-x(x<40)exhibited a shift towards the visible-light spectrum,thereby substantially broadening the absorption range.The findings highlight that NNMTO-30 possesses the most pronounced photocatalytic activity for the reduction of CO_(2).Specifically,after a 6 h irradiation period,the production rates of CO and CH_(4)were recorded at 42.38 and 1.47μmol/g,respectively.This investigation provides pivotal insights that are instrumental in the advancement of highly efficient and stable photocatalysts tailored for CO_(2)reduction processes.
文摘The poor electrical conductivity of metal-organic frameworks(MOFs)limits their electrocatalytic performance in the oxygen evolution reaction(OER).In this study,a Py@Co-MOF composite material based on pyrene(Py)molecules and{[Co2(BINDI)(DMA)_(2)]·DMA}_(n)(Co-MOF,H4BINDI=N,N'-bis(5-isophthalic acid)naphthalenediimide,DMA=N,N-dimethylacetamide)was synthesized via a one-pot method,leveragingπ-πinteractions between pyrene and Co-MOF to modulate electrical conductivity.Results demonstrate that the Py@Co-MOF catalyst exhibited significantly enhanced OER performance compared to pure Co-MOF or pyrene-based electrodes,achieving an overpotential of 246 mV at a current density of 10 mA·cm^(-2) along with excellent stability.Density functional theory(DFT)calculations reveal that the formation of O*in the second step is the rate-determining step(RDS)during the OER process on Co-MOF,with an energy barrier of 0.85 eV due to the weak adsorption affinity of the OH*intermediate for Co sites.CCDC:2419276.
基金Supported by the National Natural Science Foundation of China(Nos.52293472,22473096 and 22471164)。
文摘Among various architectures of polymers,end-group-free rings have attracted growing interests due to their distinct physicochemical performances over the linear counterparts which are exemplified by reduced hydrodynamic size and slower degradation.It is key to develop facile methods to large-scale synthesis of polymer rings with tunable compositions and microstructures.Recent progresses in large-scale synthesis of polymer rings against single-chain dynamic nanoparticles,and the example applications in synchronous enhancing toughness and strength of polymer nanocomposites are summarized.Once there is the breakthrough in rational design and effective large-scale synthesis of polymer rings and their functional derivatives,a family of cyclic functional hybrids would be available,thus providing a new paradigm in developing polymer science and engineering.
基金financial support to conduct this research from the Science and Engineering Research Board(SERB)through a state university research excellence(SURE)grant(SUR/2022/004935).
文摘Density functional theory(DFT)calculations were employed to investigate the adsorption behavior of NH_(3),AsH_(3),PH_(3),CO_(2),and CH_(4)molecules on both pristine and mono-vacancy phosphorene sheets.The pristine phosphorene surface showsweak physisorption with all the gasmolecules,inducing onlyminor changes in its structural and electronic properties.However,the introduction ofmono-vacancies significantly enhances the interaction strength with NH_(3),PH_(3),CO_(2),and CH_(4).These variations are attributed to substantial charge redistribution and orbital hybridization in the presence of defects.The defective phosphorene sheet also exhibits enhanced adsorption energies,along with favorable sensitivity and recovery characteristics,highlighting its potential as a promising gas sensor for NH_(3),AsH_(3),PH_(3),CO_(2),and CH_(4)at ambient conditions.
文摘In recent years,terbium radioisotopes have been investigated for their potential therapeutic and diagnostic applications in nuclear medicine.This study aimed to investigate the production of ^(152) Tb and ^(155) Tb by alpha-induced reactions in detail,with a specific focus on determining the optimum production parameters and testing existing nuclear models.Given the limited number of experiments conducted on reactions related to terbium isotope production,it is necessary to perform theoretical calculations of cross sections over a wide energy range to gain a detailed understanding of terbium isotope production.To achieve this objective,the cross sections of the ^(151)Eu(α,n)^(154) Tb reactions were calculated up to 60 MeV using the TALYS computer code with 432 different combinations of optical model parameters,level density,and strength function models.The theoretical reaction cross-section results were compared with the experimental results in the literature.The best input parameters were determined using the Threshold Logic Unit method,and these parameters were used in all isotope production calculations.Once the optimal model combination was determined,the total activity production and isotopic fraction of ^(152) Tb and ^(155) Tb isotopes were calculated in detail for beam energies of 17–50 MeV,different irradiation times,and varying ^(151) Eu and ^(153) Eu target thicknesses.
基金supported by the National Natural Science Foundation of China (Grant No.92576208)Tsinghua University Initiative Scientific Research Program+1 种基金Beijing Science and Technology Planning ProjectTsinghua University Dushi Program。
文摘Scalability remains a major challenge in building practical fault-tolerant quantum computers.Currently,the largest number of qubits achieved across leading quantum platforms ranges from hundreds to thousands.In atom arrays,scalability is primarily constrained by the capacity to generate large numbers of optical tweezers,and conventional techniques using acousto-optic deflectors or spatial light modulators struggle to produce arrays much beyond∼10,000 tweezers.Moreover,these methods require additional microscope objectives to focus the light into micrometer-sized spots,which further complicates system integration and scalability.Here,we demonstrate the experimental generation of an optical tweezer array containing 280×280 spots using a metasurface,nearly an order of magnitude more than most existing systems.The metasurface leverages a large number of subwavelength phase-control pixels to engineer the wavefront of the incident light,enabling both large-scale tweezer generation and direct focusing into micron-scale spots without the need for a microscope.This result shifts the scalability bottleneck for atom arrays from the tweezer generation hardware to the available laser power.Furthermore,the array shows excellent intensity uniformity exceeding 90%,making it suitable for homogeneous single-atom loading and paving the way for trapping arrays of more than 10,000 atoms in the near future.
文摘Subcritical reactors(SCRs)or subcritical assemblies(SCAs)are the main infrastructure for designing power reactors.These reactors are widely used for training and research because of their high level of inherent safety.The objective of this study is to design a subcritical reactor using a pressurized water reactor(PWR)conventional fuel following two safety points.In the first approach,deeply placed SCR cores with an infinite multiplication factor(k_(∞))of less than unity were identified using the DRAGON lattice code.In the second approach,subcritical reactor cores with an effective multiplication factor(k_(eff))of less than unity were determined by coupling the cell calculations of the DRAGON lattice code and core calculations of the DONJON code.For the deeply subcritical reactor design,it was found that the reactor would remain inherently subcritical while using fuel rods with ^(235)U enrichment of up to 0.9%,regardless of the pitch of the fuel rods.In the second approach,the optimal pitches(1.3 to 2.3 cm)were determined for different fuel enrichment values from 1 to 5%.Subsequently,the k_(eff) was obtained for a fuel rod arrangement of 8×8 to 80×80,and the states in which the reactor would be subcritical were determined for different fuel enrichments at the corresponding optimal pitch.To validate the models used in the DRAGON and DONJON codes,the k_(eff) of the Isfahan Light Water Subcritical Reactor(LWSCR)was experimentally measured and compared with the results of the calculations.Finally,the effects of fuel and moderator temperature changes were investigated to ensure that the designed assemblies remained in the subcritical state at all operational temperatures.
基金supported by the National Key Research and Development Program of China (Grant Nos.2024YFA1409800 for J.Z.and2024YFA1408603 for Q.Z.)the National Natural Science Foundation of China (Grant Nos.12125408,12334004for J.Z.,and 12174363 for Q.Z.)+1 种基金the Innovation Program for Quantum Science and Technology (Grant No.2021ZD0303306 for J.Z.)the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB0450101 for J.Z.)。
文摘Electron–hole(e–h)recombination is a fundamental process that governs energy dissipation and device efficiency in semiconductors.In two-dimensional(2D)materials,the formation of tightly bound excitons makes exciton-mediated e–h recombination the dominant decay pathway.In this work,nonradiative e–h recombination within excitons in monolayer MoS_(2) is investigated using first-principles simulations that combine nonadiabatic molecular dynamics with GW and real-time Bethe–Salpeter equation(BSE)propagation.A two-step process is identified:rapid intervalley redistribution induced by exchange interaction,followed by slower phonon-assisted recombination facilitated by exciton binding.By selectively removing the screened Coulomb and exchange terms from the BSE Hamiltonian,their respective contributions are disentangled—exchange interaction is found to increase the number of accessible recombination pathways,while binding reduces the excitation energy and enhances nonradiative decay.A reduction in recombination lifetime by over an order of magnitude is observed due to the excitonic many-body effects.These findings provide microscopic insights for understanding and tuning exciton lifetimes in 2D transition-metal dichalcogenides.
基金Funded by the National Natural Science Foundation of China(No.52371169)。
文摘We prepared Co_(x)Pt_(100-x)(x=40,45,50,55,60)nanoparticles by the sol-gel method.The phase composition and crystal structure,morphology and microstructure,and magnetic properties of the samples were characterized and tested using X-ray diffraction(XRD),transmission electron microscopy(TEM),and vibrating sample magnetometer(VSM),respectively.The results demonstrate that the coercivity of CoPt nanoparticles can be effectively controlled by adjusting the atomic ratio of Co and Pt in the samples.Among the compositions studied,the Co_(45)Pt_(55)sample synthesized by the sol-gel method exhibits smaller grain size and a coercivity as high as 6.65×10^(5) A/m is achieved.The morphology and microstructure of the nanoparticles were analyzed by TEM images,indicating that a slight excess of Pt can effectively enhance the coercivity of CoPt nanoparticles.
基金supported by Science Challenge Project(No.TZ20180001)。
文摘Based on the generalized reduced R-matrix theory,the R-matrix analysis code(RAC program)was used to analyze the experimental data of all the nuclear reaction channels related to the 5 He system.The current calculations provide accurate and reliable evaluation data and are in good agreement with the experimental data.In this study,self-consistent evaluation data for each reaction were obtained using multi-channel and multi-energy fitting.In particular,the error propagation theory of generalized least squares was used to determine the error of the evaluation data and the covariance matrix of the integral cross section.This R-matrix analysis for the 5 He system has three features.First,for the first time,the error in the evaluation data of the T(d,n)^(4)He reaction cross section and the covariance matrix of the integral cross section are provided.Second,we used only one set of R-matrix parameters to depict the reaction cross section of each reaction channel of the 5 He system for the entire energy region in our work.Third,in this evaluation,we considered some of the latest measured experimental data,especially after 2000.The T(d,n)^(4)He reaction cross section at 0.1 MeV and below was carefully studied.The effect of different energy levels in T(d,n)^(4)He was analyzed,with the energy levels 3/2^(+)making a major contribution to the cross section,and the role of the S-wave and P-wave from 3/2~-determines the lean forward trend of the angular distributions at 0.01–0.1 MeV.
基金Project supported by the National Natural Science Foundation of China(Grant No.12074261)the Natural Science Foundation of Shanghai(Grant No.20ZR1441600)。
文摘By employing a full quantum theory of electron-photon scattering in intense laser fields,we calculate the angularresolved radiation rate of the fundamental wave in Thomson scattering.We investigate the dependence of radiation rate on Euler angles and elucidate the underlying physical mechanism.The figure-8 profile of the radiation rate within the polarization plane is validated,while its evolution with respect to laser intensity and electron momentum is illustrated.Our findings reveal that in lower-intensity laser fields and for slow electron motion,the angular-resolved radiation rate exhibits distinct dipole emission characteristics.However,significant changes are observed at high laser intensities and/or large electron momenta,leading to pronounced alterations in the angular-resolved radiation rate.Remarkably similar variation patterns can be achieved by proportionally adjusting both laser intensity and electron momentum.
基金supported by supported by the Basic Research Project of State Key Laboratory of Photovoltaic Science and Technology(No.202401020302)funding support from the National Natural Science Foundation of China(No.62274040 and No.62304046)Shanghai science and technology innovation action plan(No.24DZ3001200)。
文摘Organic-inorganic metal halides(OIMHs)have emerged as highly promising novel multifunctional optoelectronic materials,owing to their easily adjustable properties from a variety of combinations of different components.But it is still difficult and rare to realize highly tunable multicolor luminescence within the same material.In this work,we successfully incorporated three adjustable emission centers in OIMHs to synthesize a novel OIMH(NEA)_(2)MnBr_(4),with each emission center capable of emitting one of the primary colors—red,green,and blue.The green and red emissions originate from the tetrahedron and octahedron structures in the Mn-based frame,while the blue can be attributed to the contribution of organic components.Additionally,to achieve comparable emission intensity among the three primary colors,we enhanced the blue emission performance by optimizing the ratio of organic structure components and incorporating chirality in the OIMHs.The resulting high-quality films can be obtained by spin-coating method with a photoluminescence quantum yields of up to 96%.More interestingly,by the dual manipulation of excitation wavelength and temperature,the sample can be emitted at least seven distinct colors including a standard white luminescence at(0.33,0.33),opening up promising prospects for multicolor luminescence applications such as high-end anti-counterfeiting technology,light-emitting diodes,X-ray imaging,latent fingerprints,humidity detection,and so on.Therefore,based on application scenarios and requirements,our research on this highly tunable luminescent OIMH material lays a solid foundation for further development of various functional properties of related materials.
基金funded through project NUBOLOSYTI (PID2023149972NB-100) of the Spanish Ministry of Science and Innovation (MICINN)supported by an IFUdG 2022 fellowship。
文摘The interactions between clouds and aerosols represent one of the largest uncertainties in assessing the Earth's radiation budget, highlighting the importance of research on the transition zone(TZ) within the cloud-aerosol continuum.This study assesses the global distribution of TZ conditions, analyzes its optical characteristics, and determines the cloud or aerosol types most commonly associated with them, using the cloud-aerosol discrimination(CAD) score of the CloudAerosol Lidar with Orthogonal Polarization(CALIOP) instrument on the CALIPSO satellite. The CAD score classifies clouds and aerosols by the probability density functions of attenuated backscatter, total color ratio, volume depolarization ratio, altitude, and latitude. After applying several filters to avoid artifacts, the TZ was identified as those atmospheric layers that cannot be clearly classified as clouds or aerosols, layers within the no-confidence range(NCR) of the CAD score, and cirrus fringes. The optical characteristics of NCR layers exhibit two main clusters: Cluster 1, with properties between high-altitude ice clouds and aerosols(e.g., wispy cloud fragments), and Cluster 2, with properties between water clouds and aerosols at lower altitudes(e.g., large hydrated aerosols). Our results highlight the significant ubiquity of TZ conditions, which appear in 9.5% of all profiles and comprise 6.4% of the detected layers. Cluster 1 and cirrus-fringe layers predominate near the ITCZ and in mid-latitudes, whereas Cluster 2 layers are more frequent over the oceans along the central West African and East Asian coasts, where elevated smoke and dusty marine aerosols are common.
基金supported by the National Natural Science Foundation of China(Grant Nos.12222413,12174443,12274459,and 12404266)the National Key R&D Program of China(Grant Nos.2023YFA1406500,2022YFA1403800,and 2022YFA1403103)+3 种基金the Natural Science Foundation of Shanghai (Grant No.23ZR1482200)the Natural Science Foundation of Ningbo (Grant No.2024J019)the Science Research Project of Hebei Education Department (Grant No.BJ2025060)the funding of Ningbo Yongjiang Talent Program。
文摘Superconducting elect rides have attracted growing attention for their potential to achieve high superconducting transition temperatures(T_(C))under pressure.However,many known elect rides are chemically reactive and unstable,making high-quality single-crystal growth,characterization,and measurements difficult,and most do not exhibit superconductivity at ambient pressure.In contrast,La_(3) In stands out for its ambient-pressure superconductivity(T_(C)∼9.4 K)and the availability of high-quality single crystals.Here,we investigate its low-energy electronic structure using angle-resolved photoemission spectroscopy and first-principles calculations.The bands near the Fermi energy(E_(F))are mainly derived from La 5d and In 5p orbitals.A saddle point is directly observed at the Brillouin zone(BZ)boundary,while a three-dimensional Van Hove singularity crosses E_(F) at the BZ corner.First-principles calculations further reveal topological Dirac surface states within the bulk energy gap above E_(F).The coexistence of a high density of states and in-gap topological surface states near𝐸F suggests that La3In offers a promising platform for tuning superconductivity and exploring possible topological superconducting phases through doping or external pressure.
基金supported by the National Natural Science Foundation of China(Nos.12175064 and U2167203)Hunan Outstanding Youth Science Foundation(No.2022JJ10031)。
文摘The evaporation residual cross sections(ERCSs)of these reactions were calculated by using^(144)Sm,^(160,164)Dy,^(165)Ho,^(166)Er,^(169)Tm,^(171,174)Yb,^(175)Lu,^(176-180)Hf,^(181)Ta,^(180,182)W and^(187)Re targets with^(40)Ar projectiles in the theoretical framework of the dinuclear system(DNS)model.The de-excitation process of the compound nucleus was theoretically calculated using two different statistical models,namely the statistical model 1 and statistical model 2(GEMINI++model).The calculated ERCSs were also compared with the experimental data.The ERCSs of synthesizing new proton-rich nuclides were investigated based on the fusion evaporation reaction.Predictions were made for the ERCSs of new isotopes of Pu,Cm and Bk in the heavy nuclei region,while the new isotopes of Ds,Cn and Fl are predicted in the superheavy nuclei region of Z≥104.
文摘This study presents a numerical investigation of the transient relaxation dynamics of a near-critical CO_(2)droplet immersed in a warmer supercritical environment composed of the same fluid.Three thermodynamic regimes were analysed:quasi-critical(T_(r)=1.01,P_(r)=1.01),transitional(T_(r)=2.01,P_(r)=1.01),and deep supercritical(T_(r)=5.01,P_(r)=3.01).Theevolution of density,temperature,and velocity fieldswas examined to characterize the internal structure and stability of the interfacial transition layer.The evolution of density,temperature,and velocity fields highlights the competition between thermal diffusion,compressibility,andmass confinement in shaping the stability of the interfacial transition layer.Near the critical point,strong gradients and flux discontinuities emerge,consistent with known instabilities,whereas higher reduced conditions promote homogenization and stabilized transport.In the deep supercritical regime,smooth and nearly uniform fields indicate robust thermal stability.The model is validated against prior studies on droplet evaporation under supercritical and trans-critical conditions.Beyond theoretical insights,the results underline practical implications for advanced propulsion,heat transfer,and evaporation systems as well as for safe CO_(2)supercritical storage and extraction processes in energy,aerospace,pharmaceutical,and materials industries.
基金founded by the National Science Centre,Poland(NCN),under grant no.UMO-2023/49/B/ST11/00774The research(neutron diffraction experiments)leading to this result has been co-funded by the project NEPHEWS under grant agreement no.101131414 from the EU Framework Programme for Research and Innovation Horizon Europe+6 种基金Views and opinions expressed are however those of the author(s)only and do not necessarily reflect those of the European Union.Neither the European Union nor the granting authorities can be held responsible for them.Measurements were carried out at the CANAM infrastructure of the NPI CAS Rez.The employment of the CICRR infrastructure supported by MEYS project LM2023041 is acknowledgedThe Ministry of Education,Youth and Sports of the Czech Republic(MEYS),support of large research infrastructures LM2023057K.M.acknowledges support of the Czech Grant Agency under project no.25-16210SP.K.acknowledges support from the European Union's Horizon 2020 research and innovation program under the NOMATEN teaming grant agreement no.857470the European Regional Development Fund via the Foundation for Polish Science International Research Agenda Plus Program grant no.MAB PLUS/2018/8the Ministry of Science and Higher Education's initiative“Support for the Activities of Centers of Excellence Established in Poland under the Horizon 2020 Program”under agreement no.MEiN/2023/DIR/3795K.W.was partly supported by the program“Excellence initiative-research university”for the AGH University of Krakow.
文摘This study investigates the plastic deformation behaviour of the AZ31 magnesium alloy under various uniaxial loading conditions using in-situ neutron diffraction,the crystallite group method(CGM),and crystal plasticity modelling.A key novelty of this work is the direct,model independent determination of resolved shear stress(RSS)values for individual slip and twinning systems,as well as their critical values(CRSS),derived from lattice strains in grains with preferred orientations.The experiment was extended beyond the conventional loading paths along the normal direction(ND)and rolling direction(RD)to include compression at angles of 30°and 60°from the ND(referred to as NDC30 and NDC60 tests),which had not been investigated in previous studies.Notably,the NDC30 test,combined with diffraction measurements,was specifically designed to activate basal slip in the majority of grains while minimizing twinning,enabling clear identification of this slip system and accurate determination of its CRSS.For the first time,hardening parameters were determined by comparing the model predicted values of RSS with those obtained from diffraction measurements for each active system.These data,together with the results of macroscopic tests,were used to calibrate an elastic-plastic self-consistent(EPSC)model,which accurately reproduced stress partitioning under applied load,texture evolution,and twin activity.The integrated methodology enhances the reliability of CRSS input and improves the modelling of anisotropic plasticity in magnesium alloys by tuning intergranular interactions based on a modified Eshelby inclusion approach.
基金supported by the National Key Research and Development Program of China (MOST)(Grant No.2022YFA1402800)the Chinese Academy of Sciences (CAS) Presidents International Fellowship Initiative (PIFI)(Grant No.2025PG0006)+3 种基金the National Natural Science Foundation of China (NSFC)(Grant Nos.51831012,12274437,and 52161160334)the CAS Project for Young Scientists in Basic Research (Grant No.YSBR-084)the CAS Youth Interdisciplinary Teamthe China Postdoctoral Science Foundation (Grant No.2025M773402)。
文摘Based on the Smit-Suhl formula,we propose a universal approach for solving the magnon-magnon coupling problem in bilayer coupled systems(e.g.,antiferromagnets).This method requires only the energy expression,enabling the automatic derivation of analytical expressions for the eigenmatrix elements via symbolic computation,eliminating the need for tedious manual calculations.Using this approach,we investigate the impact of magnetic hysteresis on magnon-magnon coupling in a system with interlayer Dzyaloshinskii-Moriya interaction(DMI).The magnetic hysteresis leads to an asymmetric magnetic field dependence of the resonance frequency and alters the number of degeneracy points between the pure optical and acoustic modes.Moreover,it can result in the coupling strength at the gap of the f–H phase diagram being nearly vanishing,contrary to the conventionally expected maximum.These results deepen the understanding of the effect of interlayer DMI on magnon–magnon coupling and the proposed universal method significantly streamlines the solving process of magnon–magnon coupling problems.
基金financially supported by the National Natural Science Foundation of China(22379044,22472053)the Science and Technology Commission of Shanghai Municipality(23520710700)+6 种基金the Key Program of the National Natural Science Foundation of China(22239001)the Shanghai Pilot Program for Basic Research(22TQ1400100-5)the ShanghaiMunicipal Natural Science Foundation(25ZR1401081)the Fundamental Research Funds for the Central Universities(JKD01251505,JKVD1251041)the Postdoctoral Fellowship Program of CPSF(GZC20250071)the Shanghai Engineering Research Center of Hierarchical Nanomaterials(18DZ2252400)the Shanghai Frontiers Science Center of Optogenetic Techniques for Cell Metabolism(Shanghai Municipal Education Commission)。
文摘The solution processibility of perovskites provides a costeffective and high-throughput route for fabricating state-of-the-art solar cells.However,the fast kinetics of precursor-to-perovskite transformation is susceptible to processing conditions,resulting in an uncontrollable variance in device performance.Here,we demonstrate a supramolecule confined approach to reproducibly fabricate perovskite films with an ultrasmooth,electronically homogeneous surface.The assembly of a calixarene capping layer on precursor surface can induce host-vip interactions with solvent molecules to tailor the desolvation kinetics,and initiate the perovskite crystallization from the sharp molecule-precursor interface.These combined effects significantly reduced the spatial variance and extended the processing window of perovskite films.As a result,the standard efficiency deviations of device-to-device and batch-to-batch devices were reduced from 0.64-0.26%to 0.67-0.23%,respectively.In addition,the perovskite films with ultrasmooth top surfaces exhibited photoluminescence quantum yield>10%and surface recombination velocities<100 cm s^(-1)for both interfaces that yielded p-i-n structured solar cells with power conversion efficiency over 25%.
