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
As an important index to measure the degree of entanglement in quantum systems,concurrence plays an important role in practical research.In this paper,we study the concurrence between two qubits in triangular triple q...As an important index to measure the degree of entanglement in quantum systems,concurrence plays an important role in practical research.In this paper,we study the concurrence between two qubits in triangular triple quantum dot structure.Through calculation and simulation,it is found that concurrence is mainly affected by the interdot coupling strength t,Coulomb interactionU,temperature T,and electrode coupling G.Through comparative studies with parallel triple quantum dot structures,we demonstrate that the triangular geometry exhibits significantly enhanced concurrence under identical conditions.In addition,under the condition that concurrence exceeds 0.9,the functional relationship between t and U is obtained through simulation,which provides theoretical support for quantum dot regulation under high entanglement.Finally,we demonstrate the feasibility of implementing a three-qubit quantum gate,using the Toffoli gate as a representative example,under the condition that the triangular triple quantum dot system maintains high entanglement.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
As electronic technology continues to evolve towards miniaturization and integration,the demand for micro-refrigeration technology in microelectronic systems is increasing.Ferroelectric(FE)refrigeration technology bas...As electronic technology continues to evolve towards miniaturization and integration,the demand for micro-refrigeration technology in microelectronic systems is increasing.Ferroelectric(FE)refrigeration technology based on the electrocaloric effect(ECE)has emerged as a highly promising candidate in this field,due to its advantages of high energy efficiency,simple structure,easy miniaturization,low cost,and environmental friendliness.The EC performance of FE materials essentially depends on the phase transition features under the coupled electric and thermal fields,making the E–T phase diagram a core tool for decoding the underlying mechanism of ECE.This paper reviews the development of EC materials,focusing on the comprehensive study of E–T phase diagrams.By correlating the microscopic phase structure of FE materials with the macroscopic physical properties,it clarifies the manipulation mechanism for enhanced ECE performance,providing theoretical support for the targeted design of high-performance EC materials.In the future,the introduction of data-driven methods is expected to enable the high-throughput construction of FE phase diagrams,thereby accelerating the optimization of high-performance EC materials and promoting the practical application of FE refrigeration technology.展开更多
Replicating the chaotic characteristics inherent in nonlinear dynamical systems via machine learning(ML)is a key challenge in this rapidly advancing interdisciplinary field.In this work,we explore the potential of var...Replicating the chaotic characteristics inherent in nonlinear dynamical systems via machine learning(ML)is a key challenge in this rapidly advancing interdisciplinary field.In this work,we explore the potential of variational quantum circuits(VQC)for learning the stochastic properties of classical nonlinear dynamical systems.Specifically,we focus on the one-and two-dimensional logistic maps,which,while simple,remain under-explored in the context of learning dynamical characteristics.Our findings reveal that,even for such simple dynamical systems,accurately replicating longterm characteristics is hindered by a pronounced sensitivity to overfitting.While increasing the parameter complexity of the ML model typically enhances short-term prediction accuracy,it also leads to a degradation in the model’s ability to replicate long-term characteristics,primarily due to the detrimental effects of overfitting on generalization power.By comparing the VQC with two widely recognized classical ML techniques,which are long short-term memory(LSTM)networks for timeseries processing and reservoir computing,we demonstrate that VQC outperforms these methods in terms of replicating long-term characteristics.Our results suggest that for the ML of dynamics,it is demanded to develop more compact and efficient models(such as VQC)rather than more complicated and large-scale ones.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
When two layers of graphene are stacked with a twist angle of approximately 1.1°,strong interlayer coupling gives rise to a pair of flat bands in twisted bilayer graphene(TBG),resulting in pronounced electron–el...When two layers of graphene are stacked with a twist angle of approximately 1.1°,strong interlayer coupling gives rise to a pair of flat bands in twisted bilayer graphene(TBG),resulting in pronounced electron–electron interactions.At half filling of the flat bands,TBG exhibits correlated insulating states.Here,we investigate the electrical transport properties of heterostructures composed of TBG and the antiferromagnetic insulator chromium oxychloride(CrOCl),and propose a strategy to modulate the correlated insulating states in TBG.During the transition from a conventional phase to a strong interfacial coupling phase,kink-like features are observed in the charge neutrality point(CNP),correlated insulating state,and band insulating state.Under a perpendicular magnetic field,the system exhibits broadened quantum Hall plateaus in the strong interfacial coupling regime.Electrons localized in the CrOCl layer screen the bottom gate,rendering the carrier density in TBG less sensitive to variations in the bottom gate voltage.These phenomena are well captured by a charge-transfer model between TBG and CrOCl.Our results provide insights into the control of electronic correlations and topological states in graphene moirésystems via interfacial charge coupling.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
Motivated by the recent discovery of superconductivity in the kagome metal CsCr_(3)Sb_(5) under pressure,we theoretically investigate the superconducting pairing symmetry and the impact of spin–orbit coupling(SOC)in ...Motivated by the recent discovery of superconductivity in the kagome metal CsCr_(3)Sb_(5) under pressure,we theoretically investigate the superconducting pairing symmetry and the impact of spin–orbit coupling(SOC)in this system.By employing an effective four-orbital tight-binding model and solving the linearized gap equation within the random phase approximation,we find that the large inter-orbital spin fluctuations enhanced by Hund’s coupling promote a superconducting gap function with E_(2g)symmetry.The inclusion of SOC further stabilizes this gap symmetry.Our analysis also reveals that the d_(x^(2)-y^(2))orbital plays the dominant role in forming the superconducting pairs.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As an important index to measure the degree of entanglement in quantum systems,concurrence plays an important role in practical research.In this paper,we study the concurrence between two qubits in triangular triple quantum dot structure.Through calculation and simulation,it is found that concurrence is mainly affected by the interdot coupling strength t,Coulomb interactionU,temperature T,and electrode coupling G.Through comparative studies with parallel triple quantum dot structures,we demonstrate that the triangular geometry exhibits significantly enhanced concurrence under identical conditions.In addition,under the condition that concurrence exceeds 0.9,the functional relationship between t and U is obtained through simulation,which provides theoretical support for quantum dot regulation under high entanglement.Finally,we demonstrate the feasibility of implementing a three-qubit quantum gate,using the Toffoli gate as a representative example,under the condition that the triangular triple quantum dot system maintains high entanglement.
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 Nos.U25A20232,52325208,52173217,52202128)the Interdisciplinary Research Project for Young Teachers of USTB(Grant No.FRF-IDRY24-002)。
文摘As electronic technology continues to evolve towards miniaturization and integration,the demand for micro-refrigeration technology in microelectronic systems is increasing.Ferroelectric(FE)refrigeration technology based on the electrocaloric effect(ECE)has emerged as a highly promising candidate in this field,due to its advantages of high energy efficiency,simple structure,easy miniaturization,low cost,and environmental friendliness.The EC performance of FE materials essentially depends on the phase transition features under the coupled electric and thermal fields,making the E–T phase diagram a core tool for decoding the underlying mechanism of ECE.This paper reviews the development of EC materials,focusing on the comprehensive study of E–T phase diagrams.By correlating the microscopic phase structure of FE materials with the macroscopic physical properties,it clarifies the manipulation mechanism for enhanced ECE performance,providing theoretical support for the targeted design of high-performance EC materials.In the future,the introduction of data-driven methods is expected to enable the high-throughput construction of FE phase diagrams,thereby accelerating the optimization of high-performance EC materials and promoting the practical application of FE refrigeration technology.
基金Project supported in part by Beijing Natural Science Foundation(Grant No.1232025)Peng Huanwu Visiting Pro-fessor Program,and Academy for Multidisciplinary Studies,Capital Normal University.
文摘Replicating the chaotic characteristics inherent in nonlinear dynamical systems via machine learning(ML)is a key challenge in this rapidly advancing interdisciplinary field.In this work,we explore the potential of variational quantum circuits(VQC)for learning the stochastic properties of classical nonlinear dynamical systems.Specifically,we focus on the one-and two-dimensional logistic maps,which,while simple,remain under-explored in the context of learning dynamical characteristics.Our findings reveal that,even for such simple dynamical systems,accurately replicating longterm characteristics is hindered by a pronounced sensitivity to overfitting.While increasing the parameter complexity of the ML model typically enhances short-term prediction accuracy,it also leads to a degradation in the model’s ability to replicate long-term characteristics,primarily due to the detrimental effects of overfitting on generalization power.By comparing the VQC with two widely recognized classical ML techniques,which are long short-term memory(LSTM)networks for timeseries processing and reservoir computing,we demonstrate that VQC outperforms these methods in terms of replicating long-term characteristics.Our results suggest that for the ML of dynamics,it is demanded to develop more compact and efficient models(such as VQC)rather than more complicated and large-scale ones.
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Project supported by the National Natural Science Foundation of China(Grant Nos.52225207 and 52350001)the Shanghai Pilot Program for Basic Research–Fudan University 21TQ1400100(Grant No.21TQ006)the Shanghai Municipal Science and Technology Major Project(Grant No.2019SHZDZX01)。
文摘When two layers of graphene are stacked with a twist angle of approximately 1.1°,strong interlayer coupling gives rise to a pair of flat bands in twisted bilayer graphene(TBG),resulting in pronounced electron–electron interactions.At half filling of the flat bands,TBG exhibits correlated insulating states.Here,we investigate the electrical transport properties of heterostructures composed of TBG and the antiferromagnetic insulator chromium oxychloride(CrOCl),and propose a strategy to modulate the correlated insulating states in TBG.During the transition from a conventional phase to a strong interfacial coupling phase,kink-like features are observed in the charge neutrality point(CNP),correlated insulating state,and band insulating state.Under a perpendicular magnetic field,the system exhibits broadened quantum Hall plateaus in the strong interfacial coupling regime.Electrons localized in the CrOCl layer screen the bottom gate,rendering the carrier density in TBG less sensitive to variations in the bottom gate voltage.These phenomena are well captured by a charge-transfer model between TBG and CrOCl.Our results provide insights into the control of electronic correlations and topological states in graphene moirésystems via interfacial charge coupling.
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supported by the National Key Research and Development of China(Grant Nos.2024YFA1408104 and 2021YFA1400400)the National Natural Science Foundation of China(Grant Nos.12374137,12434005,12074175,92165205,12004191,and 12550405)the Natural Science Foundation of Jiangsu Province(Grant No.BK20233001)。
文摘Motivated by the recent discovery of superconductivity in the kagome metal CsCr_(3)Sb_(5) under pressure,we theoretically investigate the superconducting pairing symmetry and the impact of spin–orbit coupling(SOC)in this system.By employing an effective four-orbital tight-binding model and solving the linearized gap equation within the random phase approximation,we find that the large inter-orbital spin fluctuations enhanced by Hund’s coupling promote a superconducting gap function with E_(2g)symmetry.The inclusion of SOC further stabilizes this gap symmetry.Our analysis also reveals that the d_(x^(2)-y^(2))orbital plays the dominant role in forming the superconducting pairs.
