To understand the gene-based biological processes in-depth,the single-molecule real-time sequencing has drawn increasing attention with promoted by the Human Genome Project.Herein,a set of newly designed canonical flu...To understand the gene-based biological processes in-depth,the single-molecule real-time sequencing has drawn increasing attention with promoted by the Human Genome Project.Herein,a set of newly designed canonical fluorescent bases(A_(y),tC,G_(b),T_(p))are proposed for four-color DNA sequencing.These quasi-intrinsic probes are derived from the fluorophore replacement and ring expansion on natural bases,which still keep the pyrimidine or purine underlying skeleton and Watson–Crick hydrogen bonding face to allow minimal perturbation to the native DNA duplex.More importantly,these nucleobase analogues possess red-shifted absorption and efficient photoluminescence due to the enhancedπ-conjugation in character.Meanwhile,the four analogues could generate distinct emission wavelength(Δλ~50 nm)for real-time sequencing.To assess the biological employment of the proposed biosensors,the effects of base pairing and linking deoxyribose are also considered.展开更多
Zirconium hydride(ZrH_(2)) is an ideal neutron moderator material. However, radiation effect significantly changes its properties, which affect its behavior and the lifespan of the reactor. The threshold energy of dis...Zirconium hydride(ZrH_(2)) is an ideal neutron moderator material. However, radiation effect significantly changes its properties, which affect its behavior and the lifespan of the reactor. The threshold energy of displacement is an important quantity of the number of radiation defects produced, which helps us to predict the evolution of radiation defects in ZrH_(2).Molecular dynamics(MD) and ab initio molecular dynamics(AIMD) are two main methods of calculating the threshold energy of displacement. The MD simulations with empirical potentials often cannot accurately depict the transitional states that lattice atoms must surpass to reach an interstitial state. Additionally, the AIMD method is unable to perform largescale calculation, which poses a computational challenge beyond the simulation range of density functional theory. Machine learning potentials are renowned for their high accuracy and efficiency, making them an increasingly preferred choice for molecular dynamics simulations. In this work, we develop an accurate potential energy model for the ZrH_(2) system by using the deep-potential(DP) method. The DP model has a high degree of agreement with first-principles calculations for the typical defect energy and mechanical properties of the ZrH_(2) system, including the basic bulk properties, formation energy of point defects, as well as diffusion behavior of hydrogen and zirconium. By integrating the DP model with Ziegler–Biersack–Littmark(ZBL) potential, we can predict the threshold energy of displacement of zirconium and hydrogen in ε-ZrH_(2).展开更多
With an extended Su–Schrieffer–Heeger model and Green's function method, the spin–orbit coupling(SOC) effects on spin admixture of electronic states and quantum transport in organic devices are investigated. Th...With an extended Su–Schrieffer–Heeger model and Green's function method, the spin–orbit coupling(SOC) effects on spin admixture of electronic states and quantum transport in organic devices are investigated. The role of lattice distortion induced by the strong electron–lattice interaction in organics is clarified in contrast with a uniform chain. The results demonstrate an enhanced SOC effect on the spin admixture of frontier eigenstates by the lattice distortion at a larger SOC,which is explained by the perturbation theory. The quantum transport under the SOC is calculated for both nonmagnetic and ferromagnetic electrodes. A more notable SOC effect on total transmission and current is observed for ferromagnetic electrodes, where spin filtering induced by spin-flipped transmission and suppression of magnetoresistance are obtained.Unlike the spin admixture, a stronger SOC effect on transmission exists for the uniform chain rather than the organic lattices with distortion. The reason is attributed to the modified spin-polarized conducting states in the electrodes by lattice configuration, and hence the spin-flip transmission, instead of the spin admixture of eigenstates. This work is helpful to understand the SOC effect in organic spin valves in the presence of lattice distortion.展开更多
The study of nonlinear optical responses in the mid-infrared(mid-IR)regime is essential for advancing ultrafast mid-IR laser applications.However,nonlinear optical effects under mid-IR excitation are rarely reported d...The study of nonlinear optical responses in the mid-infrared(mid-IR)regime is essential for advancing ultrafast mid-IR laser applications.However,nonlinear optical effects under mid-IR excitation are rarely reported due to the lack of suitable nonlinear optical materials.The natural van derWaals heterostructure franckeite,known for its narrow bandgap and stability in air,shows great potential for developing mid-IR nonlinear optical devices.We have experimentally demonstrated that layered franckeite exhibits a broadband wavelength-dependent nonlinear optical response in the mid-IR spectral region.Franckeite nanosheets were prepared using a liquid-phase exfoliation method,and their nonlinear optical response was characterized in the spectral range of 3000 nm to 5000 nm.The franckeite nanosheets exhibit broadband wavelengthdependent third-order nonlinearities,with nonlinear absorption and refraction coefficients estimated to be about 10^(-7)cm/W and 10^(-11)cm^(2)/W,respectively.Additionally,a passively Q-switched fluoride fiber laser operating around a wavelength of 2800 nm was achieved,delivering nanosecond pulses with a signal-to-noise ratio of 43.6 dB,based on the nonlinear response of franckeite.These findings indicate that layered franckeite possesses broadband nonlinear optical characteristics in the mid-IR region,potentially enabling new possibilities for mid-IR photonic devices.展开更多
Grasping the underlying mechanisms behind the low lattice thermal conductivity of materials is essential for the efficient design and development of high-performance thermoelectric materials and thermal barrier coatin...Grasping the underlying mechanisms behind the low lattice thermal conductivity of materials is essential for the efficient design and development of high-performance thermoelectric materials and thermal barrier coating materials.In this paper,we present a first-principles calculations of the phonon transport properties of Janus Pb_(2)PAs and Pb_(2)SbAs monolayers.Both materials possess low lattice thermal conductivity,at least two orders of magnitude lower than graphene and h-BN.The room temperature thermal conductivity of Pb_(2)SbAs(0.91 W/m K)is only a quarter of that of Pb_(2)PAs(3.88 W/m K).We analyze in depth the bonding,lattice dynamics,and phonon mode level information of these materials.Ultimately,it is determined that the synergistic effect of low group velocity due to weak bonding and strong phonon anharmonicity is the fundamental cause of the intrinsic low thermal conductivity in these Janus structures.Relative regular residual analysis further indicates that the four-phonon processes are limited in Pb_(2)PAs and Pb_(2)SbAs,and the three-phonon scattering is sufficient to describe their anharmonicity.In this study,the thermal transport properties of Janus Pb_(2)PAs and Pb_(2)SbAs monolayers are illuminated based on fundamental physical mechanisms,and the low lattice thermal conductivity endows them with the potential applications in the field of thermal barriers and thermoelectrics.展开更多
Topological slow light and rainbow trapping tend to rely on large-scale interface structure in previous research work,which have restricted further miniaturization.In this work,we propose a method to realize slow ligh...Topological slow light and rainbow trapping tend to rely on large-scale interface structure in previous research work,which have restricted further miniaturization.In this work,we propose a method to realize slow light and rainbow trapping at the zigzag edge of a single valley photonic crystals(VPCs)bounded by air,which is very different from previous studies where rainbow trapping is supported at the interface separating two VPCs with inversion symmetry.By constructing the VPC–air boundaries and VPC–VPC interfaces experimentally,we have observed the topologically protected rainbow trapping simultaneously at the external and internal boundary.This work provides a feasible platform for the miniaturized optical communication devices such as optical buffers,optical storage and optical routing.展开更多
Hybrid skin-topological effect(HSTE)in non-Hermitian systems exhibits both the skin effect and topological protection,offering a novel mechanism for localization of topological edge states(TESs)in electrons,circuits,a...Hybrid skin-topological effect(HSTE)in non-Hermitian systems exhibits both the skin effect and topological protection,offering a novel mechanism for localization of topological edge states(TESs)in electrons,circuits,and photons.However,it remains unclear whether the HSTE can be realized in quasicrystals.展开更多
Plasma sterilization is a new generation of high-tech sterilization method that is fast,safe,and pollution free.It is widely used in medical,food,and environmental protection fields.Home air sterilization is an emergi...Plasma sterilization is a new generation of high-tech sterilization method that is fast,safe,and pollution free.It is widely used in medical,food,and environmental protection fields.Home air sterilization is an emerging field of plasma application,which puts higher requirements on the miniaturization,operational stability,and operating cost of plasma device.In this study,a novel magnetically driven rotating gliding arc(MDRGA)discharge device was used to sterilize Lactobacillus fermentation.Compared with the traditional gas-driven gliding arc,this device has a simple structure and a more stable gliding arc.Simulation using COMSOL Multiphysics showed that adding permanent magnets can form a stable magnetic field,which is conducive to the formation of gliding arcs.Experiments on the discharge performance,ozone concentration,and sterilization effect were conducted using different power supply parameters.The results revealed that the MDRGA process can be divided into three stages:starting,gliding,and extinguishing.Appropriate voltage was the key factor for stable arc gliding,and both high and low voltages were not conducive to stable arc gliding and ozone production.In this experimental setup,the sterilization effect was the best at 6.6 kV.A high modulation duty ratio was beneficial for achieving stable arc gliding.However,when the duty ratio exceeded a certain value,the improvement in the sterilization effect was slow.Therefore,considering the sterilization effect and energy factors comprehensively,we chose 80%as the optimal modulation duty ratio for this experimental device.展开更多
Transition metal ditellurides(TMTDs)have versatile physical properties,including non-trivial topology,Weyl semimetal states and unique spin texture.Controlled growth of high-quality and large-scale monolayer TMTDs wit...Transition metal ditellurides(TMTDs)have versatile physical properties,including non-trivial topology,Weyl semimetal states and unique spin texture.Controlled growth of high-quality and large-scale monolayer TMTDs with preferred crystal phases is crucial for their applications.Here,we demonstrate the epitaxial growth of 1T'-MoTe_(2) on Au(111)and graphitized silicon carbide(Gr/SiC)by molecular beam epitaxy(MBE).We investigate the morphology of the grown1T'-MoTe_(2) at the atomic level by scanning tunnelling microscopy(STM)and reveal the corresponding microscopic growth mechanism.It is found that the unique ordered Te structures preferentially deposited on Au(111)regulate the growth of monolayer single crystal 1T'-MoTe_(2),while the Mo clusters were preferentially deposited on the Gr/SiC substrate,which impedes the ordered growth of monolayer MoTe_(2).We confirm that the size of single crystal 1T'-MoTe_(2) grown on Au(111)is nearly two orders of magnitude larger than that on Gr/SiC.By scanning tunnelling spectroscopy(STS),we observe that the STS spectrum of the monolayer 1T'-MoTe_(2) nano-island at the edge is different from that at the interior,which exhibits enhanced conductivity.展开更多
The ability to overcome the negative effects,induced by obstacles and turbulent atmosphere,is a core challenge of long-distance information transmission,and it is of great significance in free-space optical communicat...The ability to overcome the negative effects,induced by obstacles and turbulent atmosphere,is a core challenge of long-distance information transmission,and it is of great significance in free-space optical communication.The spatial-coherence structure,that characterizes partially coherent fields,provides a new degree of freedom for carrying information.However,due to the influence of the complex transmission environment,the spatial-coherence structure is severely damaged during the propagation path,which undoubtedly limits its ability to transmit information.Here,we realize the robust far-field orbital angular momentum(OAM)transmission and detection by modulating the spatial-coherence structure of a partially coherent vortex beam with the help of the cross-phase.The cross-phase enables the OAM information,quantified by the topological charge,hidden in the spatial-coherence structure can be stably transmitted to the far field and can resist the influence of obstructions and turbulence within the communication link.This is due to the self-reconstruction property of the spatial-coherence structure embedded with the cross-phase.We demonstrate experimentally that the topological charge information can be recognized well by measuring the spatial-coherence structure in the far field,exhibiting a set of distinct and separated dark rings even under amplitude and phase perturbations.Our findings open a door for robust optical signal transmission through the complex environment and may find application in optical communication through a turbulent atmosphere.展开更多
The detection of nanoplastics(NPs)and their interactions with antibiotics is critical due to their potential environmental and health risks.Traditional detection methods are challenged by the small size and chemical s...The detection of nanoplastics(NPs)and their interactions with antibiotics is critical due to their potential environmental and health risks.Traditional detection methods are challenged by the small size and chemical similarity of NPs to microplastics.Current surface-enhanced Raman scattering(SERS)substrates for NP detection are limited by high cost,reliance on single enhancement modes,and insufficient sensitivity and selectivity,especially for NP-antibiotic complexes.In this study,the F/M-AAO substrate,which integrates 2,3,5,6-tetrafluoro-tetracyanoquinodimethane(F_(4)TCNQ)and molybdenum disulfide(MoS_(2))with anodic aluminum oxide(AAO)templates,is used to enhance the detection of NPs and NP-antibiotic complexes.The conical cavity structure of the substrate facilitates the enrichment and direct detection of NPs with diameters smaller than 450 nm.The three-dimensional(3D)F/M-AAO substrate achieved a limit of detection(LOD)of 1.73×10^(6)ng/L for 100-nm NPs and a minimum detection concentration of 10^(-10)M for ciprofloxacin adsorbed on NPs(NPs-CIP).It demonstrated remarkable sensitivity and selectivity in the detection of both individual NPs and NPantibiotic complexes.This work highlights the innovative application of the F/M-AAO substrate in the SERS detection of NPs and NP-antibiotic complexes,providing a low-cost and effective platform for monitoring emerging environmental contaminants.展开更多
Using molecular dynamics methods,simulations of collision cascades in polycrystalline tungsten(W)have been conducted in this study,including different primary-knock-on atom(PKA)directions,grain sizes,and PKA energies ...Using molecular dynamics methods,simulations of collision cascades in polycrystalline tungsten(W)have been conducted in this study,including different primary-knock-on atom(PKA)directions,grain sizes,and PKA energies between 1 keV and 150 keV.The results indicate that a smaller grain size leads to more defects forming in grain boundary regions during cascade processes.The impact of high-energy PKA may cause a certain degree of distortion of the grain boundaries,which has a higher probability in systems with smaller grain sizes and becomes more pronounced as the PKA energy increases.The direction of PKA can affect the formation and diffusion pathways of defects.When the PKA direction is perpendicular to the grain boundary,defects preferentially form near the grain boundary regions;by contrast,defects are more inclined to form in the interior of the grains.These results are of great significance for comprehending the changes in the performance of polycrystalline W under the high-energy fusion environments and can provide theoretical guidance for further optimization and application of W-based plasma materials.展开更多
Aqueous zinc-ion batteries(AZIBs)present a promising option for next-generation batteries given their high safety,eco-friendliness,and resource sustainability.Nonetheless,the practical application of zinc anodes is hi...Aqueous zinc-ion batteries(AZIBs)present a promising option for next-generation batteries given their high safety,eco-friendliness,and resource sustainability.Nonetheless,the practical application of zinc anodes is hindered by inevitable parasitic reactions and dendrite growth.Here,zinc alloy layers(i.e.,ZnCo and ZnFe alloys)were rationally constructed on the zinc surface by chemical displacement reactions.The alloying process exposes more(002)planes of the ZnCo anode to guide the preferential and dendrite-free zinc deposition.Furthermore,the ZnCo alloy layer not only effectively inhibits water-induced side reactions but also accelerates electrode kinetics,enabling highly reversible zinc plating/stripping.As a result,the ZnCo anode achieves a Coulombic efficiency of 99.2%over 1300 cycles,and the ZnCo symmetric cell exhibits a long cycle life of over 2000 h at 4.4 mA cm^(-2).Importantly,the ZnCo//NH_(4)V_(4)O_(10)full cell retains a high discharge capacity of 218.4 mAh g^(-1)after 800 cycles.Meanwhile,the ZnFe-based symmetric cell also displays excellent cycling stability over 2500 h at 1.77 mA cm^(-2).This strategy provides a facile anode modification approach toward high-performance AZIBs.展开更多
It is urgent to solve the problems of the dramatic volume expansion and pulverization of SnO_2 anodes during cycling process in battery systems. To address this issue, we design a hybrid structure of N-doped carbon fi...It is urgent to solve the problems of the dramatic volume expansion and pulverization of SnO_2 anodes during cycling process in battery systems. To address this issue, we design a hybrid structure of N-doped carbon fibers@SnO_2 nanoflowers(NC@SnO_2) to overcome it in this work. The hybrid NC@SnO_2 is synthesized through the hydrothermal growth of SnO_2 nanoflowers on the surface of N-doped carbon fibers obtained by electrospinning. The NC is introduced not only to provide a support framework in guiding the growth of the SnO_2 nanoflowers and prevent the flower-like structures from agglomeration, but also serve as a conductive network to accelerate electronic transmission along one-dimensional structure effectively. When the hybrid NC@SnO_2 was served as anode, it exhibits a high discharge capacity of 750 Ah g^(-1) at 1 A g^(-1) after 100 cycles in Li-ion battery and 270 mAh g^(-1) at 100 mA g^(-1) for 100 cycles in Na-ion battery, respectively.展开更多
With a large number of researches being conducted on two?dimen?sional(2D) materials, their unique properties in optics, electrics, mechanics, and magnetics have attracted increasing attention. Accordingly, the idea of...With a large number of researches being conducted on two?dimen?sional(2D) materials, their unique properties in optics, electrics, mechanics, and magnetics have attracted increasing attention. Accordingly, the idea of combining distinct functional 2D materials into heterostructures naturally emerged that pro?vides unprecedented platforms for exploring new physics that are not accessible in a single 2D material or 3D heterostructures. Along with the rapid development of controllable, scalable, and programmed synthesis techniques of high?quality 2D heterostructures, various heterostructure devices with extraordinary performance have been designed and fabricated, including tunneling transistors, photodetectors, and spintronic devices. In this review, we present a summary of the latest progresses in fabrications, properties, and applications of di erent types of 2D heterostruc?tures, followed by the discussions on present challenges and perspectives of further investigations.展开更多
With the emergence of wearable electronics,flexible energy storage materials have been extensively studied in recent years.However,most studies focus on improving the electrochemical properties,ignoring the flexible m...With the emergence of wearable electronics,flexible energy storage materials have been extensively studied in recent years.However,most studies focus on improving the electrochemical properties,ignoring the flexible mechanism and structure design for flexible electrode materials with high rate capacities and long-time stability.In this study,porous,kinked,and entangled network structures are designed for highly flexible fiber films.Based on theoretical analysis and finite element simulation,the bending degree of the porous structure(30%porosity)increased by 192%at the micro-level.An appropriate increase in kinking degree at the meso-level and contact points in entanglement network at the macro-level are beneficial for the flexibility of fiber films.Therefore,a porous and entangled network of sulfur-/nitrogen-co-doped kinked carbon nanofibers(S/N-KCNFs)is synthesized.The nanofiber films synthesized from melamine as nitrogen sources and segmented vulcanization exhibited a porous,kinked,and entangled network structure,and the stretching degree increased several times.The flexible S/N-KCNFs anode delivered a higher rate performance of 270 mAh g−1 at a current density of 2000 mA g−1 and a higher capacity retention rate of 93.3%after 2000 cycles.Moreover,the foldable pouch cell assembled by potassium-ion hybrid supercapacitor operated safely at large-angle bending and showed long-time stability of 88%capacity retention after 4000 cycles.This study provides a new idea and strategy for the flexible structure design of high-performance potassium-ion storage materials.展开更多
Rechargeable aqueous Zn-ion batteries(AZIBs)are one of the most promising energy storage devices for large-scale energy storage owing to their high specific capacity,eco-friendliness,low cost and high safety.Neverthel...Rechargeable aqueous Zn-ion batteries(AZIBs)are one of the most promising energy storage devices for large-scale energy storage owing to their high specific capacity,eco-friendliness,low cost and high safety.Nevertheless,zinc metal anodes suffer from severe dendrite growth and side reactions,resulting in the inferior electrochemical performance of AZIBs.To address these problems,surface modification of zinc metal anodes is a facile and effective method to regulate the interaction between the zinc anode and an electrolyte.In this review,the current challenges and strategies for zinc metal anodes are presented.Furthermore,recent advances in surface modification strategies to improve their electrochemical performance are concluded and discussed.Finally,challenges and prospects for future development of zinc metal anodes are proposed.We hope this review will be useful for designing and fabricating highperformance AZIBs and boosting their practical applications.展开更多
Identifying state transition and determining the critical value of the Duffing oscillator are crucial to indicating external signal existence and have a great influence on detection accuracy in weak signal detection. ...Identifying state transition and determining the critical value of the Duffing oscillator are crucial to indicating external signal existence and have a great influence on detection accuracy in weak signal detection. A circular zone counting （CZC） method is proposed in this paper, by combining the Duffing oscillator＇s phase trajectory feature and numerical calculation for quickly and accurately identifying state transition and determining the critical value, to realize a high- efficiency weak signal detection. Detailed model analysis and method construction of the CZC method are introduced. Numerical experiments into the reliability of the proposed CZC method compared with the maximum Lyapunov exponent （MLE） method are carried out. The CZC method is demonstrated to have better detecting ability than the MLE method, and furthermore it is simpler and clearer in calculation to extend to engineering application.展开更多
In high intensity focused ultrasound(HIFU)treatment,it is crucial to accurately identify denatured and normal biological tissues.In this paper,a novel method based on compressed sensing(CS)and refined composite multi-...In high intensity focused ultrasound(HIFU)treatment,it is crucial to accurately identify denatured and normal biological tissues.In this paper,a novel method based on compressed sensing(CS)and refined composite multi-scale fuzzy entropy(RCMFE)is proposed.First,CS is used to denoise the HIFU echo signals.Then the multi-scale fuzzy entropy(MFE)and RCMFE of the denoised HIFU echo signals are calculated.This study analyzed 90 cases of HIFU echo signals,including 45 cases in normal status and 45 cases in denatured status,and the results show that although both MFE and RCMFE can be used to identify denatured tissues,the intra-class distance of RCMFE on each scale factor is smaller than MFE,and the inter-class distance is larger than MFE.Compared with MFE,RCMFE can calculate the complexity of the signal more accurately and improve the stability,compactness,and separability.When RCMFE is selected as the characteristic parameter,the RCMFE difference between denatured and normal biological tissues is more evident than that of MFE,which helps doctors evaluate the treatment effect more accurately.When the scale factor is selected as 16,the best distinguishing effect can be obtained.展开更多
A broadband and ultra-thin absorber for solar cell application is designed. The absorber consists of three layers, and the difference is that the four split ring resonators made of metal gold are encrusted in the gall...A broadband and ultra-thin absorber for solar cell application is designed. The absorber consists of three layers, and the difference is that the four split ring resonators made of metal gold are encrusted in the gallium arsenide （GaAs） plane in the top layer. The simulated results show that a perfect absorption in the region from 481.2 to 684.0THz can be obtained for either transverse electric or magnetic polarization wave due to the coupling effect between the material of GaAs and gold. The metamaterial is ultra-thin, having the total thickness of 56nm, which is less than one-tenth resonance wavelength, and the absorption coefficients at the three resonance wavelengths are above 90%. Moreover, the effective medium theory, electric field and surface current distributions are adopted to explain the physical mechanism of the absorption, and the permittivity sensing applications are also discussed. As a result, the proposed structure can be used in many areas, such as solar cell, sensors, and integrated photodetectors.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11804195,11847224,11674198,and 12274265)the Natural Science Foundation of Shandong Province,China(Grant Nos.ZR2018BA034 and ZR2022MA006)。
文摘To understand the gene-based biological processes in-depth,the single-molecule real-time sequencing has drawn increasing attention with promoted by the Human Genome Project.Herein,a set of newly designed canonical fluorescent bases(A_(y),tC,G_(b),T_(p))are proposed for four-color DNA sequencing.These quasi-intrinsic probes are derived from the fluorophore replacement and ring expansion on natural bases,which still keep the pyrimidine or purine underlying skeleton and Watson–Crick hydrogen bonding face to allow minimal perturbation to the native DNA duplex.More importantly,these nucleobase analogues possess red-shifted absorption and efficient photoluminescence due to the enhancedπ-conjugation in character.Meanwhile,the four analogues could generate distinct emission wavelength(Δλ~50 nm)for real-time sequencing.To assess the biological employment of the proposed biosensors,the effects of base pairing and linking deoxyribose are also considered.
基金Project supported by the Joint Fund of the National Natural Science Foundation of China–“Ye Qisun”Science Fund(Grant No.U2341251)。
文摘Zirconium hydride(ZrH_(2)) is an ideal neutron moderator material. However, radiation effect significantly changes its properties, which affect its behavior and the lifespan of the reactor. The threshold energy of displacement is an important quantity of the number of radiation defects produced, which helps us to predict the evolution of radiation defects in ZrH_(2).Molecular dynamics(MD) and ab initio molecular dynamics(AIMD) are two main methods of calculating the threshold energy of displacement. The MD simulations with empirical potentials often cannot accurately depict the transitional states that lattice atoms must surpass to reach an interstitial state. Additionally, the AIMD method is unable to perform largescale calculation, which poses a computational challenge beyond the simulation range of density functional theory. Machine learning potentials are renowned for their high accuracy and efficiency, making them an increasingly preferred choice for molecular dynamics simulations. In this work, we develop an accurate potential energy model for the ZrH_(2) system by using the deep-potential(DP) method. The DP model has a high degree of agreement with first-principles calculations for the typical defect energy and mechanical properties of the ZrH_(2) system, including the basic bulk properties, formation energy of point defects, as well as diffusion behavior of hydrogen and zirconium. By integrating the DP model with Ziegler–Biersack–Littmark(ZBL) potential, we can predict the threshold energy of displacement of zirconium and hydrogen in ε-ZrH_(2).
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11974215,21933002,and 12274264)。
文摘With an extended Su–Schrieffer–Heeger model and Green's function method, the spin–orbit coupling(SOC) effects on spin admixture of electronic states and quantum transport in organic devices are investigated. The role of lattice distortion induced by the strong electron–lattice interaction in organics is clarified in contrast with a uniform chain. The results demonstrate an enhanced SOC effect on the spin admixture of frontier eigenstates by the lattice distortion at a larger SOC,which is explained by the perturbation theory. The quantum transport under the SOC is calculated for both nonmagnetic and ferromagnetic electrodes. A more notable SOC effect on total transmission and current is observed for ferromagnetic electrodes, where spin filtering induced by spin-flipped transmission and suppression of magnetoresistance are obtained.Unlike the spin admixture, a stronger SOC effect on transmission exists for the uniform chain rather than the organic lattices with distortion. The reason is attributed to the modified spin-polarized conducting states in the electrodes by lattice configuration, and hence the spin-flip transmission, instead of the spin admixture of eigenstates. This work is helpful to understand the SOC effect in organic spin valves in the presence of lattice distortion.
基金supported by the National Natural Science Foundation of China(Grant No.61975055)the Natural Science Foundation of Hunan Province,China(Grant No.2023JJ30165)+1 种基金the Natural Science Foundation of Shandong Province,China(Grant No.ZR2022QF005)the Doctoral Fund of University of Heze(Grant No.XY22BS14).
文摘The study of nonlinear optical responses in the mid-infrared(mid-IR)regime is essential for advancing ultrafast mid-IR laser applications.However,nonlinear optical effects under mid-IR excitation are rarely reported due to the lack of suitable nonlinear optical materials.The natural van derWaals heterostructure franckeite,known for its narrow bandgap and stability in air,shows great potential for developing mid-IR nonlinear optical devices.We have experimentally demonstrated that layered franckeite exhibits a broadband wavelength-dependent nonlinear optical response in the mid-IR spectral region.Franckeite nanosheets were prepared using a liquid-phase exfoliation method,and their nonlinear optical response was characterized in the spectral range of 3000 nm to 5000 nm.The franckeite nanosheets exhibit broadband wavelengthdependent third-order nonlinearities,with nonlinear absorption and refraction coefficients estimated to be about 10^(-7)cm/W and 10^(-11)cm^(2)/W,respectively.Additionally,a passively Q-switched fluoride fiber laser operating around a wavelength of 2800 nm was achieved,delivering nanosecond pulses with a signal-to-noise ratio of 43.6 dB,based on the nonlinear response of franckeite.These findings indicate that layered franckeite possesses broadband nonlinear optical characteristics in the mid-IR region,potentially enabling new possibilities for mid-IR photonic devices.
基金Project supported by the Youth Science and Technology Talent Project of Hunan Province of China (Grant No.2022RC1197)the National Natural Science Foundation of China (Grant No.52372260)。
文摘Grasping the underlying mechanisms behind the low lattice thermal conductivity of materials is essential for the efficient design and development of high-performance thermoelectric materials and thermal barrier coating materials.In this paper,we present a first-principles calculations of the phonon transport properties of Janus Pb_(2)PAs and Pb_(2)SbAs monolayers.Both materials possess low lattice thermal conductivity,at least two orders of magnitude lower than graphene and h-BN.The room temperature thermal conductivity of Pb_(2)SbAs(0.91 W/m K)is only a quarter of that of Pb_(2)PAs(3.88 W/m K).We analyze in depth the bonding,lattice dynamics,and phonon mode level information of these materials.Ultimately,it is determined that the synergistic effect of low group velocity due to weak bonding and strong phonon anharmonicity is the fundamental cause of the intrinsic low thermal conductivity in these Janus structures.Relative regular residual analysis further indicates that the four-phonon processes are limited in Pb_(2)PAs and Pb_(2)SbAs,and the three-phonon scattering is sufficient to describe their anharmonicity.In this study,the thermal transport properties of Janus Pb_(2)PAs and Pb_(2)SbAs monolayers are illuminated based on fundamental physical mechanisms,and the low lattice thermal conductivity endows them with the potential applications in the field of thermal barriers and thermoelectrics.
基金Project supported by the National Natural Science Foundation of China(Grant No.12374302)the Natural Science Foundation of Chongqing(Grant No.CSTB2022NSCQMSX0872).
文摘Topological slow light and rainbow trapping tend to rely on large-scale interface structure in previous research work,which have restricted further miniaturization.In this work,we propose a method to realize slow light and rainbow trapping at the zigzag edge of a single valley photonic crystals(VPCs)bounded by air,which is very different from previous studies where rainbow trapping is supported at the interface separating two VPCs with inversion symmetry.By constructing the VPC–air boundaries and VPC–VPC interfaces experimentally,we have observed the topologically protected rainbow trapping simultaneously at the external and internal boundary.This work provides a feasible platform for the miniaturized optical communication devices such as optical buffers,optical storage and optical routing.
基金supported by the National Natural Science Foundation of China(Grant Nos.61405058 and 62075059)the Natural Science Foundation of Hunan Province(Grant Nos.2017JJ2048 and 2020JJ4161)+2 种基金the Scientific Research Foundation of Hunan Provincial Education Department(Grant No.21A0013)the Open Project of the State Key Laboratory of Advanced Optical Communication Systems and Networks of China(Grant No.2024GZKF20)the Guangdong Basic and Applied Basic Research Foundation(Grant No.2024A1515011353)。
文摘Hybrid skin-topological effect(HSTE)in non-Hermitian systems exhibits both the skin effect and topological protection,offering a novel mechanism for localization of topological edge states(TESs)in electrons,circuits,and photons.However,it remains unclear whether the HSTE can be realized in quasicrystals.
基金supported by National Natural Science Foundation of China(Nos.52077129 and 52277150)the Natural Science Foundation of Shandong Province(No.ZR2022ME037).
文摘Plasma sterilization is a new generation of high-tech sterilization method that is fast,safe,and pollution free.It is widely used in medical,food,and environmental protection fields.Home air sterilization is an emerging field of plasma application,which puts higher requirements on the miniaturization,operational stability,and operating cost of plasma device.In this study,a novel magnetically driven rotating gliding arc(MDRGA)discharge device was used to sterilize Lactobacillus fermentation.Compared with the traditional gas-driven gliding arc,this device has a simple structure and a more stable gliding arc.Simulation using COMSOL Multiphysics showed that adding permanent magnets can form a stable magnetic field,which is conducive to the formation of gliding arcs.Experiments on the discharge performance,ozone concentration,and sterilization effect were conducted using different power supply parameters.The results revealed that the MDRGA process can be divided into three stages:starting,gliding,and extinguishing.Appropriate voltage was the key factor for stable arc gliding,and both high and low voltages were not conducive to stable arc gliding and ozone production.In this experimental setup,the sterilization effect was the best at 6.6 kV.A high modulation duty ratio was beneficial for achieving stable arc gliding.However,when the duty ratio exceeded a certain value,the improvement in the sterilization effect was slow.Therefore,considering the sterilization effect and energy factors comprehensively,we chose 80%as the optimal modulation duty ratio for this experimental device.
基金Project supported by the National Key R&D Program of China (Grant No.2022YFA1204302)the National Natural Science Foundation of China (Grant Nos.52022029,52221001,92263107,U23A20570,62090035,U19A2090,and 12174098)+1 种基金the Hunan Provincial Natural Science Foundation of China (Grant Nos.2022JJ30142 and 2019XK2001)in part supported by the State Key Laboratory of Powder Metallurgy,Central South University。
文摘Transition metal ditellurides(TMTDs)have versatile physical properties,including non-trivial topology,Weyl semimetal states and unique spin texture.Controlled growth of high-quality and large-scale monolayer TMTDs with preferred crystal phases is crucial for their applications.Here,we demonstrate the epitaxial growth of 1T'-MoTe_(2) on Au(111)and graphitized silicon carbide(Gr/SiC)by molecular beam epitaxy(MBE).We investigate the morphology of the grown1T'-MoTe_(2) at the atomic level by scanning tunnelling microscopy(STM)and reveal the corresponding microscopic growth mechanism.It is found that the unique ordered Te structures preferentially deposited on Au(111)regulate the growth of monolayer single crystal 1T'-MoTe_(2),while the Mo clusters were preferentially deposited on the Gr/SiC substrate,which impedes the ordered growth of monolayer MoTe_(2).We confirm that the size of single crystal 1T'-MoTe_(2) grown on Au(111)is nearly two orders of magnitude larger than that on Gr/SiC.By scanning tunnelling spectroscopy(STS),we observe that the STS spectrum of the monolayer 1T'-MoTe_(2) nano-island at the edge is different from that at the interior,which exhibits enhanced conductivity.
基金National Key Research and Development Program of China (2022YFA1404800,2019YFA0705000)National Natural Science Foundation of China (12104264,12192254,92250304,and 12374311)+2 种基金China Postdoctoral Science Foundation (2022T150392)Natural Science Foundation of Shandong Province (ZR2021QA014 and ZR2023YQ006)Qingchuang Science and Technology Plan of Shandong Province (2022KJ246).
文摘The ability to overcome the negative effects,induced by obstacles and turbulent atmosphere,is a core challenge of long-distance information transmission,and it is of great significance in free-space optical communication.The spatial-coherence structure,that characterizes partially coherent fields,provides a new degree of freedom for carrying information.However,due to the influence of the complex transmission environment,the spatial-coherence structure is severely damaged during the propagation path,which undoubtedly limits its ability to transmit information.Here,we realize the robust far-field orbital angular momentum(OAM)transmission and detection by modulating the spatial-coherence structure of a partially coherent vortex beam with the help of the cross-phase.The cross-phase enables the OAM information,quantified by the topological charge,hidden in the spatial-coherence structure can be stably transmitted to the far field and can resist the influence of obstructions and turbulence within the communication link.This is due to the self-reconstruction property of the spatial-coherence structure embedded with the cross-phase.We demonstrate experimentally that the topological charge information can be recognized well by measuring the spatial-coherence structure in the far field,exhibiting a set of distinct and separated dark rings even under amplitude and phase perturbations.Our findings open a door for robust optical signal transmission through the complex environment and may find application in optical communication through a turbulent atmosphere.
基金Project supported by the National Natural Science Foundation of China(Grant No.12074229).
文摘The detection of nanoplastics(NPs)and their interactions with antibiotics is critical due to their potential environmental and health risks.Traditional detection methods are challenged by the small size and chemical similarity of NPs to microplastics.Current surface-enhanced Raman scattering(SERS)substrates for NP detection are limited by high cost,reliance on single enhancement modes,and insufficient sensitivity and selectivity,especially for NP-antibiotic complexes.In this study,the F/M-AAO substrate,which integrates 2,3,5,6-tetrafluoro-tetracyanoquinodimethane(F_(4)TCNQ)and molybdenum disulfide(MoS_(2))with anodic aluminum oxide(AAO)templates,is used to enhance the detection of NPs and NP-antibiotic complexes.The conical cavity structure of the substrate facilitates the enrichment and direct detection of NPs with diameters smaller than 450 nm.The three-dimensional(3D)F/M-AAO substrate achieved a limit of detection(LOD)of 1.73×10^(6)ng/L for 100-nm NPs and a minimum detection concentration of 10^(-10)M for ciprofloxacin adsorbed on NPs(NPs-CIP).It demonstrated remarkable sensitivity and selectivity in the detection of both individual NPs and NPantibiotic complexes.This work highlights the innovative application of the F/M-AAO substrate in the SERS detection of NPs and NP-antibiotic complexes,providing a low-cost and effective platform for monitoring emerging environmental contaminants.
基金Project supported by the National MCF Energy Research and Development Program of China(Grant No.2018YFE0308101)the National Key Research and Development Program of China(Grant No.2018YFB0704000)+1 种基金the Suqian Science and Technology Program(Grant No.K202337)the Natural Science Foundation of the Jiangsu Higher Education Institutions of China(Grant No.23KJD490001).
文摘Using molecular dynamics methods,simulations of collision cascades in polycrystalline tungsten(W)have been conducted in this study,including different primary-knock-on atom(PKA)directions,grain sizes,and PKA energies between 1 keV and 150 keV.The results indicate that a smaller grain size leads to more defects forming in grain boundary regions during cascade processes.The impact of high-energy PKA may cause a certain degree of distortion of the grain boundaries,which has a higher probability in systems with smaller grain sizes and becomes more pronounced as the PKA energy increases.The direction of PKA can affect the formation and diffusion pathways of defects.When the PKA direction is perpendicular to the grain boundary,defects preferentially form near the grain boundary regions;by contrast,defects are more inclined to form in the interior of the grains.These results are of great significance for comprehending the changes in the performance of polycrystalline W under the high-energy fusion environments and can provide theoretical guidance for further optimization and application of W-based plasma materials.
基金supported by the Prospective Basic Research Projects of CNPC(Grant Nos.2022DJ5406,2022DJ5407,2022DJ5408,2022DJ4507,TGRI-2021-1,2022DQ03-03).
文摘Aqueous zinc-ion batteries(AZIBs)present a promising option for next-generation batteries given their high safety,eco-friendliness,and resource sustainability.Nonetheless,the practical application of zinc anodes is hindered by inevitable parasitic reactions and dendrite growth.Here,zinc alloy layers(i.e.,ZnCo and ZnFe alloys)were rationally constructed on the zinc surface by chemical displacement reactions.The alloying process exposes more(002)planes of the ZnCo anode to guide the preferential and dendrite-free zinc deposition.Furthermore,the ZnCo alloy layer not only effectively inhibits water-induced side reactions but also accelerates electrode kinetics,enabling highly reversible zinc plating/stripping.As a result,the ZnCo anode achieves a Coulombic efficiency of 99.2%over 1300 cycles,and the ZnCo symmetric cell exhibits a long cycle life of over 2000 h at 4.4 mA cm^(-2).Importantly,the ZnCo//NH_(4)V_(4)O_(10)full cell retains a high discharge capacity of 218.4 mAh g^(-1)after 800 cycles.Meanwhile,the ZnFe-based symmetric cell also displays excellent cycling stability over 2500 h at 1.77 mA cm^(-2).This strategy provides a facile anode modification approach toward high-performance AZIBs.
基金supported by the National Natural Science Foundation of China (Grant No. 51302079)the National Natural Science Foundation of Hunan Province (Grant No. 2017JJ1008)
文摘It is urgent to solve the problems of the dramatic volume expansion and pulverization of SnO_2 anodes during cycling process in battery systems. To address this issue, we design a hybrid structure of N-doped carbon fibers@SnO_2 nanoflowers(NC@SnO_2) to overcome it in this work. The hybrid NC@SnO_2 is synthesized through the hydrothermal growth of SnO_2 nanoflowers on the surface of N-doped carbon fibers obtained by electrospinning. The NC is introduced not only to provide a support framework in guiding the growth of the SnO_2 nanoflowers and prevent the flower-like structures from agglomeration, but also serve as a conductive network to accelerate electronic transmission along one-dimensional structure effectively. When the hybrid NC@SnO_2 was served as anode, it exhibits a high discharge capacity of 750 Ah g^(-1) at 1 A g^(-1) after 100 cycles in Li-ion battery and 270 mAh g^(-1) at 100 mA g^(-1) for 100 cycles in Na-ion battery, respectively.
基金supported by NSF of China (Grant No. 61775241)partly by the Innovation-driven Project (Grant No. 2017CX019)the funding support from the Australian Research Council (ARC Discovery Projects, DP180102976)
文摘With a large number of researches being conducted on two?dimen?sional(2D) materials, their unique properties in optics, electrics, mechanics, and magnetics have attracted increasing attention. Accordingly, the idea of combining distinct functional 2D materials into heterostructures naturally emerged that pro?vides unprecedented platforms for exploring new physics that are not accessible in a single 2D material or 3D heterostructures. Along with the rapid development of controllable, scalable, and programmed synthesis techniques of high?quality 2D heterostructures, various heterostructure devices with extraordinary performance have been designed and fabricated, including tunneling transistors, photodetectors, and spintronic devices. In this review, we present a summary of the latest progresses in fabrications, properties, and applications of di erent types of 2D heterostruc?tures, followed by the discussions on present challenges and perspectives of further investigations.
基金funds from the National Natural Science Foundation of China(51772082,51804106,and 51574117)the Natural Science Foundation of Hunan Province(2019JJ30002,2019JJ50061)the China Postdoctoral Science Foundation(2018T110822,2017M610495).
文摘With the emergence of wearable electronics,flexible energy storage materials have been extensively studied in recent years.However,most studies focus on improving the electrochemical properties,ignoring the flexible mechanism and structure design for flexible electrode materials with high rate capacities and long-time stability.In this study,porous,kinked,and entangled network structures are designed for highly flexible fiber films.Based on theoretical analysis and finite element simulation,the bending degree of the porous structure(30%porosity)increased by 192%at the micro-level.An appropriate increase in kinking degree at the meso-level and contact points in entanglement network at the macro-level are beneficial for the flexibility of fiber films.Therefore,a porous and entangled network of sulfur-/nitrogen-co-doped kinked carbon nanofibers(S/N-KCNFs)is synthesized.The nanofiber films synthesized from melamine as nitrogen sources and segmented vulcanization exhibited a porous,kinked,and entangled network structure,and the stretching degree increased several times.The flexible S/N-KCNFs anode delivered a higher rate performance of 270 mAh g−1 at a current density of 2000 mA g−1 and a higher capacity retention rate of 93.3%after 2000 cycles.Moreover,the foldable pouch cell assembled by potassium-ion hybrid supercapacitor operated safely at large-angle bending and showed long-time stability of 88%capacity retention after 4000 cycles.This study provides a new idea and strategy for the flexible structure design of high-performance potassium-ion storage materials.
基金supported by the National Key Research and Development Program of China(2020YFB1713500)the Chinese 02 Special Fund(2017ZX02408003)+2 种基金the Open Fund of National Joint Engineering Research Center for abrasion control and molding of metal materials(HKDNM201807)the Student Research Training Plan of Henan University of Science and Technology(2020026)the National Undergraduate Innovation and Entrepreneurship Training Program(202010464031,202110464005)。
文摘Rechargeable aqueous Zn-ion batteries(AZIBs)are one of the most promising energy storage devices for large-scale energy storage owing to their high specific capacity,eco-friendliness,low cost and high safety.Nevertheless,zinc metal anodes suffer from severe dendrite growth and side reactions,resulting in the inferior electrochemical performance of AZIBs.To address these problems,surface modification of zinc metal anodes is a facile and effective method to regulate the interaction between the zinc anode and an electrolyte.In this review,the current challenges and strategies for zinc metal anodes are presented.Furthermore,recent advances in surface modification strategies to improve their electrochemical performance are concluded and discussed.Finally,challenges and prospects for future development of zinc metal anodes are proposed.We hope this review will be useful for designing and fabricating highperformance AZIBs and boosting their practical applications.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.61172047 and 61071025)
文摘Identifying state transition and determining the critical value of the Duffing oscillator are crucial to indicating external signal existence and have a great influence on detection accuracy in weak signal detection. A circular zone counting （CZC） method is proposed in this paper, by combining the Duffing oscillator＇s phase trajectory feature and numerical calculation for quickly and accurately identifying state transition and determining the critical value, to realize a high- efficiency weak signal detection. Detailed model analysis and method construction of the CZC method are introduced. Numerical experiments into the reliability of the proposed CZC method compared with the maximum Lyapunov exponent （MLE） method are carried out. The CZC method is demonstrated to have better detecting ability than the MLE method, and furthermore it is simpler and clearer in calculation to extend to engineering application.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11774088 and 11474090)。
文摘In high intensity focused ultrasound(HIFU)treatment,it is crucial to accurately identify denatured and normal biological tissues.In this paper,a novel method based on compressed sensing(CS)and refined composite multi-scale fuzzy entropy(RCMFE)is proposed.First,CS is used to denoise the HIFU echo signals.Then the multi-scale fuzzy entropy(MFE)and RCMFE of the denoised HIFU echo signals are calculated.This study analyzed 90 cases of HIFU echo signals,including 45 cases in normal status and 45 cases in denatured status,and the results show that although both MFE and RCMFE can be used to identify denatured tissues,the intra-class distance of RCMFE on each scale factor is smaller than MFE,and the inter-class distance is larger than MFE.Compared with MFE,RCMFE can calculate the complexity of the signal more accurately and improve the stability,compactness,and separability.When RCMFE is selected as the characteristic parameter,the RCMFE difference between denatured and normal biological tissues is more evident than that of MFE,which helps doctors evaluate the treatment effect more accurately.When the scale factor is selected as 16,the best distinguishing effect can be obtained.
基金Supported by the National Natural Science Foundation of China under Grant No 61275174the Research Fund for the Doctoral Program of Higher Education of China under Grant No 20100162110068
文摘A broadband and ultra-thin absorber for solar cell application is designed. The absorber consists of three layers, and the difference is that the four split ring resonators made of metal gold are encrusted in the gallium arsenide （GaAs） plane in the top layer. The simulated results show that a perfect absorption in the region from 481.2 to 684.0THz can be obtained for either transverse electric or magnetic polarization wave due to the coupling effect between the material of GaAs and gold. The metamaterial is ultra-thin, having the total thickness of 56nm, which is less than one-tenth resonance wavelength, and the absorption coefficients at the three resonance wavelengths are above 90%. Moreover, the effective medium theory, electric field and surface current distributions are adopted to explain the physical mechanism of the absorption, and the permittivity sensing applications are also discussed. As a result, the proposed structure can be used in many areas, such as solar cell, sensors, and integrated photodetectors.
