Luminescent metal-organic frameworks(MOFs)have garnered significant attention due to their structural tunability and potential applications in solid-state lighting,bioimaging,sensing,anticounterfeiting,and other field...Luminescent metal-organic frameworks(MOFs)have garnered significant attention due to their structural tunability and potential applications in solid-state lighting,bioimaging,sensing,anticounterfeiting,and other fields.Nevertheless,due to the tendency of1,4-benzenedicarboxylic acid(BDC)to rotate within the framework,MOFs composed of it exhibit significant non-radiative energy dissipation and thus impair the emissive properties.In this study,efficient luminescence of MIL-140A nanocrystals(NCs)with BDC rotors as ligands is achieved by pressure treatment strategy.Pressure treatment effectively modulates the pore structure of the framework,enhancing the interactions between the N,N-dimethylformamide vip molecules and the BDC ligands.The enhanced host-vip interaction contributes to the structural rigidity of the MOF,thereby suppressing the rotation-induced excited-state energy loss.As a result,the pressure-treated MIL-140A NCs displayed bright blue-light emission,with the photoluminescence quantum yield increasing from an initial 6.8%to 69.2%.This study developed an effective strategy to improve the luminescence performance of rotor ligand MOFs,offers a new avenue for the rational design and synthesis of MOFs with superior luminescent properties.展开更多
Based on the Smit-Suhl formula,we propose a universal approach for solving the magnon-magnon coupling problem in bilayer coupled systems(e.g.,antiferromagnets).This method requires only the energy expression,enabling ...Based on the Smit-Suhl formula,we propose a universal approach for solving the magnon-magnon coupling problem in bilayer coupled systems(e.g.,antiferromagnets).This method requires only the energy expression,enabling the automatic derivation of analytical expressions for the eigenmatrix elements via symbolic computation,eliminating the need for tedious manual calculations.Using this approach,we investigate the impact of magnetic hysteresis on magnon-magnon coupling in a system with interlayer Dzyaloshinskii-Moriya interaction(DMI).The magnetic hysteresis leads to an asymmetric magnetic field dependence of the resonance frequency and alters the number of degeneracy points between the pure optical and acoustic modes.Moreover,it can result in the coupling strength at the gap of the f–H phase diagram being nearly vanishing,contrary to the conventionally expected maximum.These results deepen the understanding of the effect of interlayer DMI on magnon–magnon coupling and the proposed universal method significantly streamlines the solving process of magnon–magnon coupling problems.展开更多
The rapid advancement of radar and 5 G communication technologies has created an urgent need for materials that possess both low dielectric constants and superior mechanical strength to ensure efficient signal transmi...The rapid advancement of radar and 5 G communication technologies has created an urgent need for materials that possess both low dielectric constants and superior mechanical strength to ensure efficient signal transmission and minimal loss.Herein,a synergistic effect of multiple regulation strategies from the atomic scales to the molecular scales was proposed to develop Covalent Organic Frameworks(COFs)modified cyanate ester resins(COF-mCE).The strategy has proven highly effective in enhancing both dielectric and mechanical properties.With only 3 wt%COFs,the dielectric constant of COF-mCE is reduced from 3.32 to 2.84 at 1 MHz.Meanwhile,the mechanical performance of COF-mCE composites exhibits substantial improvements,with flexural strength increasing by 42.6% and tensile strength by 52.1% compared to pure mCE.The investigation explores that hydrogen bonding and π-π stacking interactions restrain the polarization feature and the mechanical property improvements of the COF-mCE derived from the entanglement effect of COF-polymer chains.Furthermore,the 3D-printed COF-mCE honeycomb structure demonstrates excellent electromagnetic wave transmittance and low reflectance,achieving a transmittance of 94.1% at 10 GHz with a 60°incidence angle.This multi-scale design strategy offers new insights into the development of low-k dielectric material for next-generation electronic science applications.展开更多
Spin-orbit interaction(SOI)can be introduced by the proximity effect to modulate the electronic properties of graphene-based heterostructures.In this work,we stack trilayer WSe_(2) on Bernal tetralayer graphene to inv...Spin-orbit interaction(SOI)can be introduced by the proximity effect to modulate the electronic properties of graphene-based heterostructures.In this work,we stack trilayer WSe_(2) on Bernal tetralayer graphene to investigate the influence of SOI on the anomalous Hall effect(AHE).In this structurally asymmetric device,by comparing the magnitude of AHE at positive and negative displacement fields,we find that AHE is strongly enhanced by bringing electrons in proximity to the WSe_(2) layer.Meanwhile,the enhanced AHE signal persists up to 80 K,providing important routes for topological device applications at high temperatures.展开更多
A series of“half-sandwich”bis(imino)pyridyl iron complexes with a substituted 8-(p-Xphenyl)naphthylamine(X=OMe,Me,CF3)was designed and synthesized by combining weakπ-πinteraction with steric and electronic tunings...A series of“half-sandwich”bis(imino)pyridyl iron complexes with a substituted 8-(p-Xphenyl)naphthylamine(X=OMe,Me,CF3)was designed and synthesized by combining weakπ-πinteraction with steric and electronic tunings.The weak noncovalentπ-πinteraction as well as the steric and electronic effects of bis(imino)pyridyl iron complexes were identified by experimental analyses and calculations.The roles of weakπ-πinteraction,steric bulk,and electronic tuning on the ethylene polymerization performance of bis(imino)pyridyl iron catalysts were studied in detail.The combination ofπ-πinteraction with steric and electronic tunings can access to thermally stable bis(imino)pyridyl iron at 130°C.展开更多
The quantitative trait loci(QTL)-by-environment(Q × E) interaction effect is hard to detect because there are no effective ways to control the genomic background. In this study, we propose a linear mixed model th...The quantitative trait loci(QTL)-by-environment(Q × E) interaction effect is hard to detect because there are no effective ways to control the genomic background. In this study, we propose a linear mixed model that simultaneously analyzes data from multiple environments to detect Q × E interactions. This model incorporates two different kinship matrices derived from the genome-wide markers to control both main and interaction polygenic background effects. Simulation studies demonstrate that our approach is more powerful than the meta-analysis and inclusive composite interval mapping methods. We further analyze four agronomic traits of rice across four environments. A main effect QTL is identified for 1000-grain weight(KGW), while no QTL are found for tiller number. Additionally, a large QTL with a significant Q × E interaction is detected on chromosome 7 affecting grain number, yield, and KGW. This region harbors two important genes, PROG1 and Ghd7. Furthermore, we apply our mixed model to analyze lodging in barley across six environments. The six regions exhibiting Q × E interaction effects identified by our approach overlap with the SNPs previously identified using EM and MCMC-based Bayesian methods, further validating the robustness of our approach. Both simulation studies and empirical data analyses show that our method outperforms all other methods compared.展开更多
Railway bridges are continuously loaded by railway trains;therefore, it is important to understand the nonlinear seismic response of the Vehicle-Bridge Interaction (VBI) system under strong earthquakes. For this purpo...Railway bridges are continuously loaded by railway trains;therefore, it is important to understand the nonlinear seismic response of the Vehicle-Bridge Interaction (VBI) system under strong earthquakes. For this purpose, the nonlinear behavior of the pier was introduced into the in-house VBI solvers. The nonlinear the seismic response of the VBI system was comprehensively evaluated using this model, and the effect of the vehicle dynamics on seismic performance of the bridge was identified. It was found that the seismic responses of most simply-supported bridges were reduced in the presence of railway trains due to the out-of-phase motion of the vehicle-bridge system. Meanwhile, the nonlinear behavior of the pier can reduce the vehicle’s seismic responses. Therefore, ignoring the nonlinear behavior of the pier during strong earthquakes can significantly overestimate the seismic response of the vehicle.展开更多
As the goal of"low carbon"sustainable development becomes more salient,the corporations'environmental,social,and governance(ESG)practices are under higher visibility.How to promote the ESG performance of...As the goal of"low carbon"sustainable development becomes more salient,the corporations'environmental,social,and governance(ESG)practices are under higher visibility.How to promote the ESG performance of corporations has become a big challenge that needs to be solved.Spatial econometrics methods based on panel data on listed corporations in the period from 2018 to 2023 are used in the paper to empirically analyze the peer effect of a corporation from the view of strategic interaction.The results found relatively positive industry peer effects as well as regional peer effects.However,the latter is much weaker.Industry-wise results indicate that most sectors demonstrate positive peer competition on ESG issues,with only a few,like the special equipment manufacturing industry,not showing significant peer effects.The empirical results in this paper support the mode of cooperative interaction among firms,help broaden the scope of understanding factors that encourage ESG practices,and suggest relevant policies for boosting corporate social responsibilities and sustainable development through encouraging factors.展开更多
A Discrete Boltzmann Method(DBM)with a Maxwell-type boundary condition is constructed to investigate the influence of rarefaction on laminar Shock Wave/Boundary Layer Interaction(SWBLI).Due to the complexity of compre...A Discrete Boltzmann Method(DBM)with a Maxwell-type boundary condition is constructed to investigate the influence of rarefaction on laminar Shock Wave/Boundary Layer Interaction(SWBLI).Due to the complexity of compressible flow,a Knudsen number vector Kn,whose components include the local Knudsen numbers such as Kn_(ρ)and Kn_(U),is introduced to characterize the local structures,where Kn_(ρ)and Kn_(U)are Knudsen numbers defined in terms of the density and velocity interfaces,respectively.Since first focusing on the steady state of SWBLI,the DBM considers up to the second-order Kn_(ρ)(rarefaction/non-equilibrium)effects.The model is validated using Mach number 2 SWBLI and the necessity of using DBM with sufficient physical accuracy is confirmed by the shock collision problem.Key findings include the following:the leading-edge shock wave increases the local density Knudsen number Kn_(ρ)and eventually leads to the failure of linear constitutive relations in the Navier-Stokes(N-S)model and surely also in the lower-order DBM;the non-equilibrium effect differences in regions behind the leading-edge shock wave are primarily correlated with Kn_(ρ),while in the separation region are primarily correlated with Kn_(U);the non-equilibrium quantities D_(2)and D_(4,2),as well as the viscous entropy production rate S_(NOMF)can be used to identify the separation zone.The findings clarify various effects and main mechanisms in different regions associated with SWBLI,which are concealed in N-S model.展开更多
In this paper,the decoherence dynamics and spectral response of an optomechanical system,with linear and quadratic couplings,is addressed.The decoherence considered arises from pure dephasing,described by the Milburn ...In this paper,the decoherence dynamics and spectral response of an optomechanical system,with linear and quadratic couplings,is addressed.The decoherence considered arises from pure dephasing,described by the Milburn stochastic evolution of the Schrödinger equation.In the first part of this paper,it is shown how the decoherence rate influences the evolution of the number of phonons,and the quadrature of the mechanical resonator.In the second part of the paper,an attempt to look at the spectral response of the mechanical part of the system is given using nonstationary spectroscopy.The response of the resonator in its equilibrium position is emphasized when the single-photon regime is considered.Coherent states in the cavity field and the mechanical resonator are also represented.Results and discussion comparing the inclusions of the linear,quadratic,and linear-quadratic couplings are given,regarding the influence of the dephasing in the decoherence mechanism.展开更多
Metal-support interactions and hydrogen spillover effects in heterogeneous catalysts play a crucial role in aromatic hydrogenation reactions;however,these effects are limited by the metal dispersion on the catalyst an...Metal-support interactions and hydrogen spillover effects in heterogeneous catalysts play a crucial role in aromatic hydrogenation reactions;however,these effects are limited by the metal dispersion on the catalyst and the number of acceptable H*receptors.This study prepares highly dispersed Ni nanoparticles(NPs)catalysts on a Beta substrate via precursor structure topology transformation.In contrast to traditional support materials,the coordination and electronic structure changes between the Ni NPs and the support were achieved,further optimizing the active interface sites and enhancing hydrogen activation and hydrogenation performance.Additionally,the-OH groups at the strong acid sites in zeolite effectively intensified the hydrogen spillover effect as receptors for H^(*)migration and anchoring,accelerating the hydrogenation rate of aromatic rings.Under solvent-free conditions,this catalyst was used for the hydrogenation reaction of aromatic-rich oils,directly producing a C_(8)-C_(14)branched cycloalkanes mixture with an aromatic conversion rate of>99%.The cycloalkanes mixture produced by this method features high density(0.92 g/mL)and a low freezing point(<-60℃),making it suitable for use as high-density aviation fuel or as an additive to enhance the volumetric heat value of conventional aviation fuels in practical applications.展开更多
The organic-inorganic transformation and interaction act as the critical role in the occurrence of nanopores within the organic-rich shales during thermal maturation.Hydrous pyrolysis experiments were conducted on the...The organic-inorganic transformation and interaction act as the critical role in the occurrence of nanopores within the organic-rich shales during thermal maturation.Hydrous pyrolysis experiments were conducted on the organic-rich mudrock collected from the Upper Cretaceous Nenjiang Formation of the Songliao Basin,China in a closed system.The pore types and pore network,and organic and inorganic compositions of pyrolyzed shales were detected from the early to over mature stages(%Ro=0.61-4.01).The experimental results indicate that geochemical transformation of organic matters and minerals and the interaction control the formation and evolution of nanoporosity.In oil window mineral matrix pores are infilled by the generated oil,K-feldspar dissolution by organic acids promotes clay illitization to form illite,and the catalytic effects of clays(e.g.illite)in the complex of organic matter and clays may promote the in-situ retained oil cracking to generate natural gas,resulting in the early occurrence of organic-matter pores in the complex within oil window.Due to significant primary cracking of solid kerogen to generate extractable liquid oil,pore volume for storing fluids presents a persistent increase and approaches the maximum at the end of oil window.In gas window intensive oil cracking facilitates the hydrocarbon migrating out of the source home and pyrobitumen formation,resulting in the significant occurrence of modified mineral matrix pores and organic-matter pores.Pore volume for hosting hydrocarbons presents a slight decrease at%Ro=1.36-2.47 due to pyrobitumen formation by oil secondary cracking.The organic-inorganic interaction favors clay illitization,quartz dissolution,and pyrite and carbonate decomposition,which facilitate the occurrence of nanoporosity.Pyrobitumen within the complex with illite and organic matters are much more porous than that hosted in modified mineral matrix pores and microfractures.The catalytic effects of clays are supposed to be responsible for this.This study improves our understanding of the formation and evolution pathways of nanoporosity and the underlying controls in organic-rich shales during thermal maturation,and hence should be helpful in evaluating the sweet spots for shale-oil and shale-gas plays in a sedimentary basin.展开更多
Micrometer-sized silicon oxide(SiO)anodes encounter challenges in large-scale applications due to significant volume expansion during the alloy/de-alloy process.Herein,an innovative deep eutectic electrolyte derived f...Micrometer-sized silicon oxide(SiO)anodes encounter challenges in large-scale applications due to significant volume expansion during the alloy/de-alloy process.Herein,an innovative deep eutectic electrolyte derived from succinonitrile is introduced to enhance the cycling stability of SiO anodes.Density functional theory calculations validate a robust ion-dipole interaction between lithium ions(Li^(+))and succinonitrile(SN).The cosolvent fluoroethylene carbonate(FEC)optimizes the Li^(+)solvation structure in the SN-based electrolyte with its weakly solvating ability.Molecular dynamics simulations investigate the regulating mechanism of ion-dipole and cation-anion interaction.The unique Li^(+)solvation structure,enriched with FEC and TFSI^(-),facilitates the formation of an inorganic-organic composite solid electrolyte interphase on SiO anodes.Micro-CT further detects the inhibiting effect on the SiO volume expansion.As a result,the SiO|LiCoO_(2) full cells exhibit excellent electrochemical performance in deep eutectic-based electrolytes.This work presents an effective strategy for extending the cycle life of SiO anodes by designing a new SN-based deep eutectic electrolyte.展开更多
The manipulation of crystallization and healing defects by introducing additives to prepare high-quality perovskite(PVK)films is crucial for achieving efficient and stable perovskite solar cells(PSCs).However,the inte...The manipulation of crystallization and healing defects by introducing additives to prepare high-quality perovskite(PVK)films is crucial for achieving efficient and stable perovskite solar cells(PSCs).However,the intermolecular interactions of the additives,which may affect their modulation of the quality of the PVK films as well as the performance of PSCs,are neglected.In this work,two benzimidazole-based additives with different intermolecular interactions,5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one(DOM)and 5-chloro-1-(4-piperidinyl)-2-benzimidazolinone(CPBI),are introduced into the PVK precursor to explore the impact of the own intermolecular interactions of additives on their functions.After a detailed investigation,the results demonstrate that the weaker interactions between DOM molecules than those between CPBI molecules enable the stronger binding of DOM with PbI_(2) precursor and(110)plane of PVK than that of CPBI,which induces a significantly slow crystallization of PVK with preferentially oriented growth and a high passivation effect on defects after DOM introduction.The PVK films with DOM additives also exhibit a distinctly enhanced residual strain release compared with the CPBI-treated films and energy level matching that of the carbon electrode.Consequently,the DOM-treated carbon-based PSCs without encapsulation prepared in air achieve a remarkable power conversion efficiency of 17.30%and excellent stability with 86%efficiency retention after 1000 h storage in air.This work provides an insight into understanding the effect of the intermolecular interactions of additives on affecting the quality regulation and defect passivation of PVK films.展开更多
The intricate network of bilateral trade relationships among Pacific Rim countries(PRCs),along with the associated embodied carbon flows plays a pivotal role in shaping global carbon emission patterns and dynamics.Thi...The intricate network of bilateral trade relationships among Pacific Rim countries(PRCs),along with the associated embodied carbon flows plays a pivotal role in shaping global carbon emission patterns and dynamics.This study employs a multi-regional inputoutput analysis and a symbiotic degree model to explore the symbiotic effects of trade-embodied carbon flows between China and PRCs.We show that between 2009 and 2021,China's trade-embodied carbon exports to PRCs surged from 214.20 million tons to 614.80 million tons,driven largely by mechanical and electronic equipment.The share of the United States,Japan,and South Korea in China's total embodied carbon exports to PRCs has declined,whereas Southeast Asian countries have emerged as the primary source of China's embodied carbon imports.The degree of symbiosis in trade-embodied carbon between China and PRCs shifted from negative to positive,indicating a gradual trend toward positive asymmetric symbiosis.Moreover,China's role in regional trade-embodied carbon flows has transitioned from passive to active,with its influence particularly pronounced in countries such as Vietnam,Thailand,Japan,South Korea,and Russia.展开更多
Background and Objective Social anxiety arising from intensive social media usage(SMU)among adolescents and youth has gained extensive attention in recent years due to its negative influence on mental health and acade...Background and Objective Social anxiety arising from intensive social media usage(SMU)among adolescents and youth has gained extensive attention in recent years due to its negative influence on mental health and academic performance.In spite of that,there is a dearth regarding the etiology of SMU-related social anxiety.This study aims to further clarify the influence of introversion personality on SMU-related social anxiety and the mechanism underlying such an association and provide a new perspective for developing effective intervention strategies for the highly prevailing SMU-related anxiety among Chinese college students.Methods A cohort of 979 college students(266 males and 713 females)aged 20.90±1.91 years was enrolled in this cross-sectional study.Four measures including the"extroversion"domain of Eysenck Personality Questionnaire Revised,Short Scale(EPQ-R-S E),Interaction Anxiousness Scale(IAS),Mobile Phone Addiction Index(MPAI),and Social Anxiety Scale for Social Media Users(SAS-SMU)were used to evaluate the influence of introversion personality on SMU-related social anxiety that was potentially mediated sequentially by interaction anxiousness and mobile phone addiction.Hayes PROCESS was used for correlation and mediation analysis.Results Interaction anxiousness(indirect effect=-1.331,95%CI:-1.559--1.122)partially mediated the association between introversion personality and SMU-related social anxiety.Besides,a sequential mediation of interaction anxiousness and mobile phone addiction in the link between introversion personality and SMU-related social anxiety was revealed(indirect effect=-0.308,95%CI:-0.404--0.220).No significant mediating effect was found with mobile phone addiction in the association between introversion personality and SMU-related social anxiety.Conclusion Targeting interaction anxiousness and mobile phone addiction may represent an efficient strategy alleviating SMU-related social anxiety among Chinese college students with introversion personality.展开更多
Interlayer interactions in bilayer or multilayer electron systems have been studied extensively,and many exotic physical phenomena have been revealed.However,systematic investigations of the impact of interlayer inter...Interlayer interactions in bilayer or multilayer electron systems have been studied extensively,and many exotic physical phenomena have been revealed.However,systematic investigations of the impact of interlayer interactions on magnonic physics are very few.Here,we use a van derWaals(vdW)honeycomb heterostructure as a platform to investigate the modulation of magnon properties in honeycomb AA-and AB-stacking heterostructures with ferromagnetic and antiferromagnetic interlayer interactions,including topological phases and thermal Hall conductivity.Our results reveal that interlayer interactions play a crucial role in modulating the magnonic topology and Hall transport properties of magnetic heterostructures,with potential for experimental realization.展开更多
Owing to intensified globalization and informatization,the structures of the urban scale hierarchy and urban networks between cities have become increasingly intertwined,resulting in different spatial effects.Therefor...Owing to intensified globalization and informatization,the structures of the urban scale hierarchy and urban networks between cities have become increasingly intertwined,resulting in different spatial effects.Therefore,this paper analyzes the spatial interaction between urban scale hierarchy and urban networks in China from 2019 to 2023,drawing on Baidu migration data and employing a spatial simultaneous equation model.The results reveal a significant positive spatial correlation between cities with higher hierarchy and those with greater network centrality.Within a static framework,we identify a positive interaction between urban scale hierarchy and urban network centrality,while their spatial cross-effects manifest as negative neighborhood interactions based on geographical distance and positive cross-scale interactions shaped by network connections.Within a dynamic framework,changes in urban scale hierarchy and urban networks are mutually reinforcing,thereby widening disparities within the urban hierarchy.Furthermore,an increase in a city’s network centrality had a dampening effect on the population growth of neighboring cities and network-connected cities.This study enhances understanding of the spatial organisation of urban systems and offers insights for coordinated regional development.展开更多
Herein,3‑aminopropyltriethoxysilane(APTES)was used to modify F‑containing silica slag(SS)by simple grafting and served as a multifunctional barrier layer.The amino group(—NH2)in the amino‑modified SS(NH2‑SS)forms lig...Herein,3‑aminopropyltriethoxysilane(APTES)was used to modify F‑containing silica slag(SS)by simple grafting and served as a multifunctional barrier layer.The amino group(—NH2)in the amino‑modified SS(NH2‑SS)forms ligand bonds or hydrogen bonds with sulfur ions in lithium polysulfides(LiPSs),thus inhibiting the shuttle effect.Electrochemical analyses demonstrated that lithium‑sulfur(Li‑S)batteries employing the NH2‑SS interlayer exhibited discharge specific capacities of 1048 and 789 mAh·g^(-1) at 0.2C and 2C,respectively,and even at 4C,the initial discharge specific capacity remained at 590 mAh·g^(-1),outperforming the Li‑S battery with unmodified SS as the interlayer.展开更多
High-frequency magnetic materials are crucial for realizing anti-electromagnetic interference in GHz communication devices and electronic equipment.Current mainstream strategy to enhance highfrequency magnetic losses ...High-frequency magnetic materials are crucial for realizing anti-electromagnetic interference in GHz communication devices and electronic equipment.Current mainstream strategy to enhance highfrequency magnetic losses is shape anisotropy,and it is still difficult to obtain an improvement in intrinsic magnetic loss through electronic structure design.In this paper,the effects of 4f-3d interaction between Er and Fe/Co on magnetic moment,charge migration,and spin polarization were investigated based on density functional theory(DFT).The results show that Er 4f-Fe 3d orbitals undergo significant hybridization at around-4 eV,which increase the electronic locality of Fe and enhance the spin of Fe from 2.86 h/2 to 2.91 h/2.The Fe_(0.5-x)Co_(0.5)Er_(x)(0≤x≤0.05)alloys were further prepared by vacuum induction melting and mechanical alloying methods.The saturation magnetization intensity(Ms)increases from 0.141 to 0.182 A·m^(2)/g with increasing Er content.The μ"of Fe_(0.47)Co_(0.5)Er_(0.03)at 16.7 GHz increases from 0.55 to 0.93,and the frequency range over which tanδ_μvalues are greater than 0.5covers 8.0-18.0 GHz,with the maximum value being 0.83 at 17.0 GHz.These results indicate that the Fe_(0.5-x)Co_(0.5)Er_(x)/paraffin composite materials have excellent high-frequency magnetic losses and are promising candidates in the field of microwave-absorbing materials.展开更多
基金supported by the National Key R&D Program of China(Grant No.2023YFA1406200)the National Natural Science Foundation of China(No.12274177 and 12304261)the China Postdoctoral Science Foundation(No.2024M751076)。
文摘Luminescent metal-organic frameworks(MOFs)have garnered significant attention due to their structural tunability and potential applications in solid-state lighting,bioimaging,sensing,anticounterfeiting,and other fields.Nevertheless,due to the tendency of1,4-benzenedicarboxylic acid(BDC)to rotate within the framework,MOFs composed of it exhibit significant non-radiative energy dissipation and thus impair the emissive properties.In this study,efficient luminescence of MIL-140A nanocrystals(NCs)with BDC rotors as ligands is achieved by pressure treatment strategy.Pressure treatment effectively modulates the pore structure of the framework,enhancing the interactions between the N,N-dimethylformamide vip molecules and the BDC ligands.The enhanced host-vip interaction contributes to the structural rigidity of the MOF,thereby suppressing the rotation-induced excited-state energy loss.As a result,the pressure-treated MIL-140A NCs displayed bright blue-light emission,with the photoluminescence quantum yield increasing from an initial 6.8%to 69.2%.This study developed an effective strategy to improve the luminescence performance of rotor ligand MOFs,offers a new avenue for the rational design and synthesis of MOFs with superior luminescent properties.
基金supported by the National Key Research and Development Program of China (MOST)(Grant No.2022YFA1402800)the Chinese Academy of Sciences (CAS) Presidents International Fellowship Initiative (PIFI)(Grant No.2025PG0006)+3 种基金the National Natural Science Foundation of China (NSFC)(Grant Nos.51831012,12274437,and 52161160334)the CAS Project for Young Scientists in Basic Research (Grant No.YSBR-084)the CAS Youth Interdisciplinary Teamthe China Postdoctoral Science Foundation (Grant No.2025M773402)。
文摘Based on the Smit-Suhl formula,we propose a universal approach for solving the magnon-magnon coupling problem in bilayer coupled systems(e.g.,antiferromagnets).This method requires only the energy expression,enabling the automatic derivation of analytical expressions for the eigenmatrix elements via symbolic computation,eliminating the need for tedious manual calculations.Using this approach,we investigate the impact of magnetic hysteresis on magnon-magnon coupling in a system with interlayer Dzyaloshinskii-Moriya interaction(DMI).The magnetic hysteresis leads to an asymmetric magnetic field dependence of the resonance frequency and alters the number of degeneracy points between the pure optical and acoustic modes.Moreover,it can result in the coupling strength at the gap of the f–H phase diagram being nearly vanishing,contrary to the conventionally expected maximum.These results deepen the understanding of the effect of interlayer DMI on magnon–magnon coupling and the proposed universal method significantly streamlines the solving process of magnon–magnon coupling problems.
基金financially supported by the Sichuan Science and Technology Program(No.2024ZDZX0036)the National Ten Thousand Talent Plans for Young Top-notch Talents,and the National Natural Science Foundation of China(No.52021001).
文摘The rapid advancement of radar and 5 G communication technologies has created an urgent need for materials that possess both low dielectric constants and superior mechanical strength to ensure efficient signal transmission and minimal loss.Herein,a synergistic effect of multiple regulation strategies from the atomic scales to the molecular scales was proposed to develop Covalent Organic Frameworks(COFs)modified cyanate ester resins(COF-mCE).The strategy has proven highly effective in enhancing both dielectric and mechanical properties.With only 3 wt%COFs,the dielectric constant of COF-mCE is reduced from 3.32 to 2.84 at 1 MHz.Meanwhile,the mechanical performance of COF-mCE composites exhibits substantial improvements,with flexural strength increasing by 42.6% and tensile strength by 52.1% compared to pure mCE.The investigation explores that hydrogen bonding and π-π stacking interactions restrain the polarization feature and the mechanical property improvements of the COF-mCE derived from the entanglement effect of COF-polymer chains.Furthermore,the 3D-printed COF-mCE honeycomb structure demonstrates excellent electromagnetic wave transmittance and low reflectance,achieving a transmittance of 94.1% at 10 GHz with a 60°incidence angle.This multi-scale design strategy offers new insights into the development of low-k dielectric material for next-generation electronic science applications.
基金Project supported by the National Key R&D Program of China(Grant Nos.2021YFA1400100 and 2024YFA1409700)the National Natural Science Foudation of China(Grant Nos.12374168 and T2325026)。
文摘Spin-orbit interaction(SOI)can be introduced by the proximity effect to modulate the electronic properties of graphene-based heterostructures.In this work,we stack trilayer WSe_(2) on Bernal tetralayer graphene to investigate the influence of SOI on the anomalous Hall effect(AHE).In this structurally asymmetric device,by comparing the magnitude of AHE at positive and negative displacement fields,we find that AHE is strongly enhanced by bringing electrons in proximity to the WSe_(2) layer.Meanwhile,the enhanced AHE signal persists up to 80 K,providing important routes for topological device applications at high temperatures.
基金supported by the State Key Research Development Program of China(No.2021YFB3800701)National Natural Science Foundation of China(NSFC,No.52173016)+2 种基金Guangdong Basic and Applied Basic Research Foundation(Nos.2024A1515012784,2024A1515011102,and 2023A1515110549)Fundamental Research Funds for the Central Universities,Sun Yat-sen University(No.24qnpy047)PetroChina Scientific and Technological Projects(No.2022DJ6308).
文摘A series of“half-sandwich”bis(imino)pyridyl iron complexes with a substituted 8-(p-Xphenyl)naphthylamine(X=OMe,Me,CF3)was designed and synthesized by combining weakπ-πinteraction with steric and electronic tunings.The weak noncovalentπ-πinteraction as well as the steric and electronic effects of bis(imino)pyridyl iron complexes were identified by experimental analyses and calculations.The roles of weakπ-πinteraction,steric bulk,and electronic tuning on the ethylene polymerization performance of bis(imino)pyridyl iron catalysts were studied in detail.The combination ofπ-πinteraction with steric and electronic tunings can access to thermally stable bis(imino)pyridyl iron at 130°C.
基金supported by the National Key Research and Development Programs of China(2024YFF1000100 and 2021YFD1301102)the National Natural Science Foundation of China (32172702)+3 种基金the State Key Laboratory of Animal Biotech Breeding (XQSWYZQZ-KFYX-4)Zaozhuang Elite Industrial Innovation ProgramAgricultural Science and Technology Innovation Program (ASTIP-IAS-TS-6)supported by the United States National Science Foundation (NSF) Collaborative Research Grant (DBI-1458515)
文摘The quantitative trait loci(QTL)-by-environment(Q × E) interaction effect is hard to detect because there are no effective ways to control the genomic background. In this study, we propose a linear mixed model that simultaneously analyzes data from multiple environments to detect Q × E interactions. This model incorporates two different kinship matrices derived from the genome-wide markers to control both main and interaction polygenic background effects. Simulation studies demonstrate that our approach is more powerful than the meta-analysis and inclusive composite interval mapping methods. We further analyze four agronomic traits of rice across four environments. A main effect QTL is identified for 1000-grain weight(KGW), while no QTL are found for tiller number. Additionally, a large QTL with a significant Q × E interaction is detected on chromosome 7 affecting grain number, yield, and KGW. This region harbors two important genes, PROG1 and Ghd7. Furthermore, we apply our mixed model to analyze lodging in barley across six environments. The six regions exhibiting Q × E interaction effects identified by our approach overlap with the SNPs previously identified using EM and MCMC-based Bayesian methods, further validating the robustness of our approach. Both simulation studies and empirical data analyses show that our method outperforms all other methods compared.
基金supported by the National Natural Science Foundation of China(Grant No.51678490)the Natural Science Foundation of Sichuan Province(Grant No.2024NSFSC0161).
文摘Railway bridges are continuously loaded by railway trains;therefore, it is important to understand the nonlinear seismic response of the Vehicle-Bridge Interaction (VBI) system under strong earthquakes. For this purpose, the nonlinear behavior of the pier was introduced into the in-house VBI solvers. The nonlinear the seismic response of the VBI system was comprehensively evaluated using this model, and the effect of the vehicle dynamics on seismic performance of the bridge was identified. It was found that the seismic responses of most simply-supported bridges were reduced in the presence of railway trains due to the out-of-phase motion of the vehicle-bridge system. Meanwhile, the nonlinear behavior of the pier can reduce the vehicle’s seismic responses. Therefore, ignoring the nonlinear behavior of the pier during strong earthquakes can significantly overestimate the seismic response of the vehicle.
基金supported by the National Natural Science Foundation of China(Grant No.72073045).
文摘As the goal of"low carbon"sustainable development becomes more salient,the corporations'environmental,social,and governance(ESG)practices are under higher visibility.How to promote the ESG performance of corporations has become a big challenge that needs to be solved.Spatial econometrics methods based on panel data on listed corporations in the period from 2018 to 2023 are used in the paper to empirically analyze the peer effect of a corporation from the view of strategic interaction.The results found relatively positive industry peer effects as well as regional peer effects.However,the latter is much weaker.Industry-wise results indicate that most sectors demonstrate positive peer competition on ESG issues,with only a few,like the special equipment manufacturing industry,not showing significant peer effects.The empirical results in this paper support the mode of cooperative interaction among firms,help broaden the scope of understanding factors that encourage ESG practices,and suggest relevant policies for boosting corporate social responsibilities and sustainable development through encouraging factors.
基金support from the National Key R&D Program of China(No.2020YFC2201100)the Foundation of National Key Laboratory of Shock Wave and Detonation Physics,China(No.JCKYS2023212003)+1 种基金the National Natural Science Foundation of China(No.12172061)the Opening Project of State Key Laboratory of Explosion Science and Safety Protection(Beijing Institute of Technology)(No.KFJJ25-02M).
文摘A Discrete Boltzmann Method(DBM)with a Maxwell-type boundary condition is constructed to investigate the influence of rarefaction on laminar Shock Wave/Boundary Layer Interaction(SWBLI).Due to the complexity of compressible flow,a Knudsen number vector Kn,whose components include the local Knudsen numbers such as Kn_(ρ)and Kn_(U),is introduced to characterize the local structures,where Kn_(ρ)and Kn_(U)are Knudsen numbers defined in terms of the density and velocity interfaces,respectively.Since first focusing on the steady state of SWBLI,the DBM considers up to the second-order Kn_(ρ)(rarefaction/non-equilibrium)effects.The model is validated using Mach number 2 SWBLI and the necessity of using DBM with sufficient physical accuracy is confirmed by the shock collision problem.Key findings include the following:the leading-edge shock wave increases the local density Knudsen number Kn_(ρ)and eventually leads to the failure of linear constitutive relations in the Navier-Stokes(N-S)model and surely also in the lower-order DBM;the non-equilibrium effect differences in regions behind the leading-edge shock wave are primarily correlated with Kn_(ρ),while in the separation region are primarily correlated with Kn_(U);the non-equilibrium quantities D_(2)and D_(4,2),as well as the viscous entropy production rate S_(NOMF)can be used to identify the separation zone.The findings clarify various effects and main mechanisms in different regions associated with SWBLI,which are concealed in N-S model.
基金the financial support by UNAM Postdoctoral Program(POSDOC)2024-2025,and to ICF-UNAM for the assistance in-place.
文摘In this paper,the decoherence dynamics and spectral response of an optomechanical system,with linear and quadratic couplings,is addressed.The decoherence considered arises from pure dephasing,described by the Milburn stochastic evolution of the Schrödinger equation.In the first part of this paper,it is shown how the decoherence rate influences the evolution of the number of phonons,and the quadrature of the mechanical resonator.In the second part of the paper,an attempt to look at the spectral response of the mechanical part of the system is given using nonstationary spectroscopy.The response of the resonator in its equilibrium position is emphasized when the single-photon regime is considered.Coherent states in the cavity field and the mechanical resonator are also represented.Results and discussion comparing the inclusions of the linear,quadratic,and linear-quadratic couplings are given,regarding the influence of the dephasing in the decoherence mechanism.
基金financially supported by the National Natural Science Foundation of China(Grant 22278439,21776313)the Shandong Province Higher Education Youth Innovation Technology Support Program(Grant 2022KJ074)。
文摘Metal-support interactions and hydrogen spillover effects in heterogeneous catalysts play a crucial role in aromatic hydrogenation reactions;however,these effects are limited by the metal dispersion on the catalyst and the number of acceptable H*receptors.This study prepares highly dispersed Ni nanoparticles(NPs)catalysts on a Beta substrate via precursor structure topology transformation.In contrast to traditional support materials,the coordination and electronic structure changes between the Ni NPs and the support were achieved,further optimizing the active interface sites and enhancing hydrogen activation and hydrogenation performance.Additionally,the-OH groups at the strong acid sites in zeolite effectively intensified the hydrogen spillover effect as receptors for H^(*)migration and anchoring,accelerating the hydrogenation rate of aromatic rings.Under solvent-free conditions,this catalyst was used for the hydrogenation reaction of aromatic-rich oils,directly producing a C_(8)-C_(14)branched cycloalkanes mixture with an aromatic conversion rate of>99%.The cycloalkanes mixture produced by this method features high density(0.92 g/mL)and a low freezing point(<-60℃),making it suitable for use as high-density aviation fuel or as an additive to enhance the volumetric heat value of conventional aviation fuels in practical applications.
基金National Nature Science Foundation of China(No.42030803,42073066),and the valuable comments and suggestions by three anonymous referees that greatly improved this paper.
文摘The organic-inorganic transformation and interaction act as the critical role in the occurrence of nanopores within the organic-rich shales during thermal maturation.Hydrous pyrolysis experiments were conducted on the organic-rich mudrock collected from the Upper Cretaceous Nenjiang Formation of the Songliao Basin,China in a closed system.The pore types and pore network,and organic and inorganic compositions of pyrolyzed shales were detected from the early to over mature stages(%Ro=0.61-4.01).The experimental results indicate that geochemical transformation of organic matters and minerals and the interaction control the formation and evolution of nanoporosity.In oil window mineral matrix pores are infilled by the generated oil,K-feldspar dissolution by organic acids promotes clay illitization to form illite,and the catalytic effects of clays(e.g.illite)in the complex of organic matter and clays may promote the in-situ retained oil cracking to generate natural gas,resulting in the early occurrence of organic-matter pores in the complex within oil window.Due to significant primary cracking of solid kerogen to generate extractable liquid oil,pore volume for storing fluids presents a persistent increase and approaches the maximum at the end of oil window.In gas window intensive oil cracking facilitates the hydrocarbon migrating out of the source home and pyrobitumen formation,resulting in the significant occurrence of modified mineral matrix pores and organic-matter pores.Pore volume for hosting hydrocarbons presents a slight decrease at%Ro=1.36-2.47 due to pyrobitumen formation by oil secondary cracking.The organic-inorganic interaction favors clay illitization,quartz dissolution,and pyrite and carbonate decomposition,which facilitate the occurrence of nanoporosity.Pyrobitumen within the complex with illite and organic matters are much more porous than that hosted in modified mineral matrix pores and microfractures.The catalytic effects of clays are supposed to be responsible for this.This study improves our understanding of the formation and evolution pathways of nanoporosity and the underlying controls in organic-rich shales during thermal maturation,and hence should be helpful in evaluating the sweet spots for shale-oil and shale-gas plays in a sedimentary basin.
基金supported by the National Natural Science Foundation of China(22279026)the National Key Research and Development Program of China(2022YFE0138900)+2 种基金the Young Elite Scientist sponsorship program by CAST(no.20200148)the Natural Science Funds of Heilongjiang Province(YQ2021B003)the Fundamental Research Funds for the Central Universities(grant no.HIT.OCEF.2022017).
文摘Micrometer-sized silicon oxide(SiO)anodes encounter challenges in large-scale applications due to significant volume expansion during the alloy/de-alloy process.Herein,an innovative deep eutectic electrolyte derived from succinonitrile is introduced to enhance the cycling stability of SiO anodes.Density functional theory calculations validate a robust ion-dipole interaction between lithium ions(Li^(+))and succinonitrile(SN).The cosolvent fluoroethylene carbonate(FEC)optimizes the Li^(+)solvation structure in the SN-based electrolyte with its weakly solvating ability.Molecular dynamics simulations investigate the regulating mechanism of ion-dipole and cation-anion interaction.The unique Li^(+)solvation structure,enriched with FEC and TFSI^(-),facilitates the formation of an inorganic-organic composite solid electrolyte interphase on SiO anodes.Micro-CT further detects the inhibiting effect on the SiO volume expansion.As a result,the SiO|LiCoO_(2) full cells exhibit excellent electrochemical performance in deep eutectic-based electrolytes.This work presents an effective strategy for extending the cycle life of SiO anodes by designing a new SN-based deep eutectic electrolyte.
基金financial supports from the National Natural Science Foundation of China(52472259,22179051)the Natural Science Foundation of Shandong Province(ZR2021ME037)+1 种基金the Special Fund of Taishan Scholar Program of Shandong Province(tsqnz20221141)the Foundation of Key Laboratory of Advanced Technique&Preparation for Renewable Energy Materials,Ministry of Education,Yunnan Normal University(OF2022-02)。
文摘The manipulation of crystallization and healing defects by introducing additives to prepare high-quality perovskite(PVK)films is crucial for achieving efficient and stable perovskite solar cells(PSCs).However,the intermolecular interactions of the additives,which may affect their modulation of the quality of the PVK films as well as the performance of PSCs,are neglected.In this work,two benzimidazole-based additives with different intermolecular interactions,5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one(DOM)and 5-chloro-1-(4-piperidinyl)-2-benzimidazolinone(CPBI),are introduced into the PVK precursor to explore the impact of the own intermolecular interactions of additives on their functions.After a detailed investigation,the results demonstrate that the weaker interactions between DOM molecules than those between CPBI molecules enable the stronger binding of DOM with PbI_(2) precursor and(110)plane of PVK than that of CPBI,which induces a significantly slow crystallization of PVK with preferentially oriented growth and a high passivation effect on defects after DOM introduction.The PVK films with DOM additives also exhibit a distinctly enhanced residual strain release compared with the CPBI-treated films and energy level matching that of the carbon electrode.Consequently,the DOM-treated carbon-based PSCs without encapsulation prepared in air achieve a remarkable power conversion efficiency of 17.30%and excellent stability with 86%efficiency retention after 1000 h storage in air.This work provides an insight into understanding the effect of the intermolecular interactions of additives on affecting the quality regulation and defect passivation of PVK films.
基金National Natural Science Foundation of China,No.42201258,No.42571214Ministry of Education Humanities and Social Sciences Research Youth Fund Project,No.22YJCZH057+2 种基金National Key Research and Development Program of China,No.2024YFE0214000The Project of Jinhua City’s Deepening of Local Cooperation between China and Africa in 2025,No.SXZF202548ZSpecial Major Project of National Influence Building Think Tank,No.ZKZD2024011。
文摘The intricate network of bilateral trade relationships among Pacific Rim countries(PRCs),along with the associated embodied carbon flows plays a pivotal role in shaping global carbon emission patterns and dynamics.This study employs a multi-regional inputoutput analysis and a symbiotic degree model to explore the symbiotic effects of trade-embodied carbon flows between China and PRCs.We show that between 2009 and 2021,China's trade-embodied carbon exports to PRCs surged from 214.20 million tons to 614.80 million tons,driven largely by mechanical and electronic equipment.The share of the United States,Japan,and South Korea in China's total embodied carbon exports to PRCs has declined,whereas Southeast Asian countries have emerged as the primary source of China's embodied carbon imports.The degree of symbiosis in trade-embodied carbon between China and PRCs shifted from negative to positive,indicating a gradual trend toward positive asymmetric symbiosis.Moreover,China's role in regional trade-embodied carbon flows has transitioned from passive to active,with its influence particularly pronounced in countries such as Vietnam,Thailand,Japan,South Korea,and Russia.
文摘Background and Objective Social anxiety arising from intensive social media usage(SMU)among adolescents and youth has gained extensive attention in recent years due to its negative influence on mental health and academic performance.In spite of that,there is a dearth regarding the etiology of SMU-related social anxiety.This study aims to further clarify the influence of introversion personality on SMU-related social anxiety and the mechanism underlying such an association and provide a new perspective for developing effective intervention strategies for the highly prevailing SMU-related anxiety among Chinese college students.Methods A cohort of 979 college students(266 males and 713 females)aged 20.90±1.91 years was enrolled in this cross-sectional study.Four measures including the"extroversion"domain of Eysenck Personality Questionnaire Revised,Short Scale(EPQ-R-S E),Interaction Anxiousness Scale(IAS),Mobile Phone Addiction Index(MPAI),and Social Anxiety Scale for Social Media Users(SAS-SMU)were used to evaluate the influence of introversion personality on SMU-related social anxiety that was potentially mediated sequentially by interaction anxiousness and mobile phone addiction.Hayes PROCESS was used for correlation and mediation analysis.Results Interaction anxiousness(indirect effect=-1.331,95%CI:-1.559--1.122)partially mediated the association between introversion personality and SMU-related social anxiety.Besides,a sequential mediation of interaction anxiousness and mobile phone addiction in the link between introversion personality and SMU-related social anxiety was revealed(indirect effect=-0.308,95%CI:-0.404--0.220).No significant mediating effect was found with mobile phone addiction in the association between introversion personality and SMU-related social anxiety.Conclusion Targeting interaction anxiousness and mobile phone addiction may represent an efficient strategy alleviating SMU-related social anxiety among Chinese college students with introversion personality.
基金supported by the National Natural Science Foundation of China(Grant Nos.12404051,12347156,12174157,12074150,and 12174158)the National Key Research and Development Program of China(Grant No.2022YFA1405200)+2 种基金the Natural Science Foundation of Jiangsu Province(Grant No.BK20230516)the Scientific Research Project of Jiangsu University(Grant No.550171001)support provided by the Deutsche Forschungsgemeinschaft(DFG,German Research Founda-tion)-TRR 288/2-422213477(project B06).
文摘Interlayer interactions in bilayer or multilayer electron systems have been studied extensively,and many exotic physical phenomena have been revealed.However,systematic investigations of the impact of interlayer interactions on magnonic physics are very few.Here,we use a van derWaals(vdW)honeycomb heterostructure as a platform to investigate the modulation of magnon properties in honeycomb AA-and AB-stacking heterostructures with ferromagnetic and antiferromagnetic interlayer interactions,including topological phases and thermal Hall conductivity.Our results reveal that interlayer interactions play a crucial role in modulating the magnonic topology and Hall transport properties of magnetic heterostructures,with potential for experimental realization.
基金Under the auspices of the National Natural Science Foundation of China(No.42371222,41971167)Fundamental Scientific Research Funds of Central China Normal University(No.CCNU24ZZ120)。
文摘Owing to intensified globalization and informatization,the structures of the urban scale hierarchy and urban networks between cities have become increasingly intertwined,resulting in different spatial effects.Therefore,this paper analyzes the spatial interaction between urban scale hierarchy and urban networks in China from 2019 to 2023,drawing on Baidu migration data and employing a spatial simultaneous equation model.The results reveal a significant positive spatial correlation between cities with higher hierarchy and those with greater network centrality.Within a static framework,we identify a positive interaction between urban scale hierarchy and urban network centrality,while their spatial cross-effects manifest as negative neighborhood interactions based on geographical distance and positive cross-scale interactions shaped by network connections.Within a dynamic framework,changes in urban scale hierarchy and urban networks are mutually reinforcing,thereby widening disparities within the urban hierarchy.Furthermore,an increase in a city’s network centrality had a dampening effect on the population growth of neighboring cities and network-connected cities.This study enhances understanding of the spatial organisation of urban systems and offers insights for coordinated regional development.
文摘Herein,3‑aminopropyltriethoxysilane(APTES)was used to modify F‑containing silica slag(SS)by simple grafting and served as a multifunctional barrier layer.The amino group(—NH2)in the amino‑modified SS(NH2‑SS)forms ligand bonds or hydrogen bonds with sulfur ions in lithium polysulfides(LiPSs),thus inhibiting the shuttle effect.Electrochemical analyses demonstrated that lithium‑sulfur(Li‑S)batteries employing the NH2‑SS interlayer exhibited discharge specific capacities of 1048 and 789 mAh·g^(-1) at 0.2C and 2C,respectively,and even at 4C,the initial discharge specific capacity remained at 590 mAh·g^(-1),outperforming the Li‑S battery with unmodified SS as the interlayer.
基金Project supported by the Nation Natural Science Foundation of China(52304410,51972242)Major Project of Hubei Province(2023BAA003)。
文摘High-frequency magnetic materials are crucial for realizing anti-electromagnetic interference in GHz communication devices and electronic equipment.Current mainstream strategy to enhance highfrequency magnetic losses is shape anisotropy,and it is still difficult to obtain an improvement in intrinsic magnetic loss through electronic structure design.In this paper,the effects of 4f-3d interaction between Er and Fe/Co on magnetic moment,charge migration,and spin polarization were investigated based on density functional theory(DFT).The results show that Er 4f-Fe 3d orbitals undergo significant hybridization at around-4 eV,which increase the electronic locality of Fe and enhance the spin of Fe from 2.86 h/2 to 2.91 h/2.The Fe_(0.5-x)Co_(0.5)Er_(x)(0≤x≤0.05)alloys were further prepared by vacuum induction melting and mechanical alloying methods.The saturation magnetization intensity(Ms)increases from 0.141 to 0.182 A·m^(2)/g with increasing Er content.The μ"of Fe_(0.47)Co_(0.5)Er_(0.03)at 16.7 GHz increases from 0.55 to 0.93,and the frequency range over which tanδ_μvalues are greater than 0.5covers 8.0-18.0 GHz,with the maximum value being 0.83 at 17.0 GHz.These results indicate that the Fe_(0.5-x)Co_(0.5)Er_(x)/paraffin composite materials have excellent high-frequency magnetic losses and are promising candidates in the field of microwave-absorbing materials.
