In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honey...In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honeycomb cells,was created by constructing arrangement matrices to achieve structural lightweight.The machine learning(ML)framework consisted of a neural network(NN)forward regression model for predicting impact resistance and a multi-objective optimization algorithm for generating high-performance designs.The surrogate of the local design space was initially realized by establishing the NN in the small sample dataset,and the active learning strategy was used to continuously extended the local optimal design until the model converged in the global space.The results indicated that the active learning strategy significantly improved the inference capability of the NN model in unknown design domains.By guiding the iteration direction of the optimization algorithm,lightweight designs with high impact resistance were identified.The energy absorption capacity of the optimal design reached 94.98%of the EARE honeycomb,while the initial peak stress and mass decreased by 28.85%and 19.91%,respectively.Furthermore,Shapley Additive Explanations(SHAP)for global explanation of the NN indicated a strong correlation between the arrangement mode of HCS and its impact resistance.By reducing the stiffness of the cells at the top boundary of the structure,the initial impact damage sustained by the structure can be significantly improved.Overall,this study proposed a general lightweight design method for array structures under impact loads,which is beneficial for the widespread application of honeycomb-based protective structures.展开更多
The single-event susceptibility of three silicon carbide(SiC)metal-oxide-semiconductor field-effect transistor(MOSFET)power devices structures(planar,trench and double trench)is researched by the technology computer-a...The single-event susceptibility of three silicon carbide(SiC)metal-oxide-semiconductor field-effect transistor(MOSFET)power devices structures(planar,trench and double trench)is researched by the technology computer-aided design(TCAD)simulation.Comparative analysis of the heavy-ion irradiation effects on three device structures reveals distinct susceptibility characteristics.The gate oxide region is identified as the most sensitive position in planar devices,while trench and doubletrench structures exhibit no localized sensitive regions.Furthermore,the single-event susceptibility demonstrates strong depth dependence across all three structures,with enhanced vulnerability observed at greater ion penetration depths.展开更多
Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'...Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'-bipyridine]were successfully synthesized by the volatilization of the solution at room temperature.The crystal structures of six complexes were determined by single-crystal X-ray diffraction technology.The results showed that the complexes all have a binuclear structure,and the structures contain free ethanol molecules.Moreover,the coordination number of the central metal of each structural unit is eight.Adjacent structural units interact with each other through hydrogen bonds and further expand to form 1D chain-like and 2D planar structures.After conducting a systematic study on the luminescence properties of complexes 1-4,their emission and excitation spectra were obtained.Experimental results indicated that the fluorescence lifetimes of complexes 2 and 3 were 0.807 and 0.845 ms,respectively.The emission spectral data of complexes 1-4 were imported into the CIE chromaticity coordinate system,and their corre sponding luminescent regions cover the yellow light,red light,green light,and orange-red light bands,respectively.Within the temperature range of 299.15-1300 K,the thermal decomposition processes of the six complexes were comprehensively analyzed by using TG-DSC/FTIR/MS technology.The hypothesis of the gradual loss of ligand groups during the decomposition process was verified by detecting the escaped gas,3D infrared spectroscopy,and ion fragment information detected by mass spectrometry.The specific decomposition path is as follows:firstly,free ethanol molecules and neutral ligands are removed,and finally,acidic ligands are released;the final product is the corresponding metal oxide.CCDC:2430420,1;2430422,2;2430419,3;2430424,4;2430421,5;2430423,6.展开更多
To deepen understanding of the evolution of coal char microstructural properties of coal char during the co-pyrolysis of coking coal with additives,this study incorporated two typical additives,coal tar pitch(CTP)and ...To deepen understanding of the evolution of coal char microstructural properties of coal char during the co-pyrolysis of coking coal with additives,this study incorporated two typical additives,coal tar pitch(CTP)and waste plastic(HDPE),into a blended coal sample and carried out pyrolysis experiments.The pyrolysis process and the microstructure of char were systematically characterized using various analytical techniques,including thermogravimetric analysis(TGA),X-ray diffraction(XRD)and Raman spectroscopy.Data correlation analysis was performed to reveal the mechanism of carbon structural ordering evolution within the critical temperature range(350−600℃)from colloidal layer formation to semi-coke conversion in coking coal,and to elucidate the regulatory effects of different additives on coal pyrolysis pathways.The results indicate that HDPE releases free radicals during high-temperature pyrolysis,accelerating the pyrolysis reaction and increase the yield of volatile components.Conversely,CTP facilitates pyrolysis at low temperatures through its light components,thereby delaying high-temperature reactions due to the colloidal layer’s effect.XRD results indicate that during the process of pyrolysis,there is a progressive decrease in the interlayer spacing of aromatic layers(d002),while the aromatic ring stacking height(L_(c))and lateral size(L_(a))undergo significant of carbon skeleton ordering.Further comparative reveals that CTP partially suppresses structural ordering at low temperatures,whereas HDPE promotes the condensation and alignment of aromatic clusters via a free radical mechanism.Raman spectroscopy reveals a two-stage reorganization mechanism in the microstructure of the coal char:the decrease in the I_(D)/I_(G)ratio between 350 and 550℃is primarily attributed to the cleavage of aliphatic side chains and cross-linking bonds,leading to a reduction in defective structures;whereas the increase in ID/IG between 550 and 600℃is closely associated with enhanced condensation reactions of aromatic structures.Correlation analysis further demonstrates progressive graphitization during pyrolysis,with a significant positive correlation(R^(2)>0.85)observed between d002 and the full width at half maximum of the G-band(FWHM-G).展开更多
In this study,a novel polysaccharide GPA-G 2-H was derived from ginseng.Furthermore,the coherent study of its structural characteristics,fermented characteristics in vitro,as well as antioxidant mechanism of fermented...In this study,a novel polysaccharide GPA-G 2-H was derived from ginseng.Furthermore,the coherent study of its structural characteristics,fermented characteristics in vitro,as well as antioxidant mechanism of fermented product FGPA-G 2-H on Aβ25-35-induced PC 12 cells were explored.The structure of GPA-G 2-H was determined by means of zeta potential analysis,FTIR,HPLC,XRD,GC-MS and NMR.The backbone of GPA-G 2-H was mainly composed of→4)-α-D-Glcp-(1→with branches substituted at O-3.Notably,GPA-G 2-H was degraded by intestinal microbiota in vitro with total sugar content and pH value decreasing,and short-chain fatty acids(SCFAs)increasing.Moreover,GPA-G 2-H significantly promoted the proliferation of Lactobacillus,Muribaculaceae and Weissella,thereby making positive alterations in intestinal microbiota composition.Additionally,FGPA-G 2-H activated the Nrf 2/HO-1 signaling pathway,enhanced HO-1,NQO 1,SOD and GSH-Px,while inhabited Keap 1,MDA and LDH,which alleviated Aβ-induced oxidative stress in PC 12 cells.These provide a solid theoretical basis for the further development of ginseng polysaccharides as functional food and antioxidant drugs.展开更多
Two Co(Ⅱ)and Ni(Ⅱ)complexes were synthesized by synergistic coordination of 3,3-diphenylpropionic acid(HDPA)and 2,2′-bipyridylamine(PAm).The structures of complexes[Co(DPA)_(2)(PAm)]·2H_(2)O(1)and[Ni(DPA)_(2)(...Two Co(Ⅱ)and Ni(Ⅱ)complexes were synthesized by synergistic coordination of 3,3-diphenylpropionic acid(HDPA)and 2,2′-bipyridylamine(PAm).The structures of complexes[Co(DPA)_(2)(PAm)]·2H_(2)O(1)and[Ni(DPA)_(2)(PAm)]·2H_(2)O(2)were determined by single-crystal X-ray diffraction,IR spectroscopy,and powder X-ray diffraction.Hirshfeld surface analysis provided quantitative insights into the intermolecular interactions within the complexes,while molecular docking studies elucidated their binding modes and affinities toward urease.Furthermore,the biological activities of both complexes were systematically evaluated through a range of assays,including DNA binding,urease inhibition,antibacterial activity,and in vitro cytotoxicity against cancer cells.Both complexes exhibited binding affinity for DNA and displayed notable urease inhibitory activity.Under in vitro conditions,both complexes showed appreciable cytotoxicity toward HepG2 cells with efficacy comparable to clinically used platinumbased anticancer agents.CCDC:2479943,1;2479944,2.展开更多
Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimizat...Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimization method grounded in the global adjustment of nodal coordinates.First,a build direction is selected to minimize the number of violating struts.Then,an angular-constraint matrix is assembled from strut direction vectors,and analytical sensitivities with respect to nodal coordinates are derived to enable efficient constrained optimization under nonlinear angular inequality constraints.Numerical studies on two complex curved-surface lattices demonstrate that all overhang violations are eliminated while only minor changes are induced in global stiffness and strength.In particular,the maximum displacement of an ergonomic insole varies by only 2.87%after optimization.The results confirm the method’s versatility and engineering robustness,providing a practical approach for additive manufacturing-oriented lattice structure design.展开更多
The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the...The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the TiNb binary alloy system during spinodal decomposition,and then the formation mechanism of core-shell structure was revealed.In addition,the influences of initial temperature gradient,average temperature,and initial concentration distribution of the system on the core-shell structure were investigated.Results show that the initial concentration gradient is the key factor for forming the core-shell structure.Besides,larger initial temperature gradient and higher average temperature can promote the formation of core-shell structure,which can be stabilized by adjusting the initial concentration distribution of the Nb-rich region in TiNb binary alloy.As a theoretical basis,this research provides a novel and simple strategy for the preparation of TiNb-based alloys and other materials with peculiar core-shell structures and desirable mechanical and physical properties.展开更多
SiC/Al-based composite foams were prepared by a two-step foaming method.The influence of the SiC content and its distribution uniformity on the foaming stability,cell structure,and mechanical properties of the aluminu...SiC/Al-based composite foams were prepared by a two-step foaming method.The influence of the SiC content and its distribution uniformity on the foaming stability,cell structure,and mechanical properties of the aluminum foams was investigated.The macro/micro-features of the aluminum foams were characterized and analyzed.Results demonstrate that an appropriate increase in SiC content and the uniform distribution of SiC can improve the foaming stability,optimize the cell diameter and cell wall thickness,ameliorate the cell distribution,and enhance the hardness and compressive strength of the aluminum foams.However,either insufficient or excessive SiC leads to uneven distribution of SiC particles,which is unfavorable to foaming stability and good cell structure formation.With 6wt%SiC,both the foaming stability and cell structure of the aluminum foam reach the optimal state,resulting in the highest compressive strength and optimal energy absorption capacity.展开更多
This paper reports the preparation of three di‑iron complexes containing a thiazole moiety.Esterification of complex[Fe_(2)(CO)_(6)(μ‑SCH_(2)CH(CH_(2)OH)S)](1)with 4‑methylthiazole‑5‑carboxylic acid gave the correspo...This paper reports the preparation of three di‑iron complexes containing a thiazole moiety.Esterification of complex[Fe_(2)(CO)_(6)(μ‑SCH_(2)CH(CH_(2)OH)S)](1)with 4‑methylthiazole‑5‑carboxylic acid gave the corresponding ester[Fe_(2)(CO)_(6)(μ‑tedt)](2),where tedt=SCH_(2)CH(CH_(2)OOC(5‑C_(3)HNSCH_(3)))S.Further reactions of complex 2 with tri(ptolyl)phosphine(tp)or tris(4‑fluorophenyl)phosphine(fp)gave the phosphine‑substituted derivatives[Fe_(2)(CO)_(5)(tp)(μ‑tedt)](3)and[Fe_(2)(CO)_(5)(fp)(μ‑tedt)](4).The structures of the newly prepared complexes were elucidated by elemental analysis,NMR,IR,and X‑ray photoelectron spectroscopy.Moreover,single‑crystal X‑ray diffraction analysis confirmed their molecular structures,showing that they contain a di‑iron core ligated by a bridged dithiolate bearing a thiazole moiety and terminal carbonyls.The electrochemical and electrocatalytic proton reduction were probed by cyclic voltammetry,revealing that three complexes can catalyze the reduction of protons to H_(2) under the electrochemical conditions.For comparison,complex 4 possessed the best efficiency with a turnover frequency of 23.5 s^(-1)at 10 mmol·L^(-1)HOAc concentration.In addition,the fungicidal activity of these complexes was also investigated in this study.CCDC:2477511,2;2477512,3;2477513,4.展开更多
Deployable Composite Thin-Walled Structures(DCTWS)are widely used in space applications due to their ability to compactly fold and self-deploy in orbit,enabled by cutouts.Cutout design is crucial for balancing structu...Deployable Composite Thin-Walled Structures(DCTWS)are widely used in space applications due to their ability to compactly fold and self-deploy in orbit,enabled by cutouts.Cutout design is crucial for balancing structural rigidity and flexibility,ensuring material integrity during large deformations,and providing adequate load-bearing capacity and stability once deployed.Most research has focused on optimizing cutout size and shape,while topology optimization offers a broader design space.However,the anisotropic properties of woven composite laminates,complex failure criteria,and multi-performance optimization needs have limited the exploration of topology optimization in this field.This work derives the sensitivities of bending stiffness,critical buckling load,and the failure index of woven composite materials with respect to element density,and formulates both single-objective and multi-objective topology optimization models using a linear weighted aggregation approach.The developed method was integrated with the commercial finite element software ABAQUS via a Python script,allowing efficient application to cutout design in various DCTWS configurations to maximize bending stiffness and critical buckling load under material failure constraints.Optimization of a classical tubular hinge resulted in improvements of 107.7%in bending stiffness and 420.5%in critical buckling load compared to level-set topology optimization results reported in the literature,validating the effectiveness of the approach.To facilitate future research and encourage the broader adoption of topology optimization techniques in DCTWS design,the source code for this work is made publicly available via a Git Hub link:https://github.com/jinhao-ok1/Topo-for-DCTWS.git.展开更多
Nickel-rich cathodes(NRCs)hold great promise for next-generation high-energy lithium-ion batteries(LIBs)due to high specific energy and low cost.However,the higher Ni content exacerbates the instability issues associa...Nickel-rich cathodes(NRCs)hold great promise for next-generation high-energy lithium-ion batteries(LIBs)due to high specific energy and low cost.However,the higher Ni content exacerbates the instability issues associated with structural degradation and side reactions during electrochemical cycling.Herein,we demonstrate the possibility of preparing NRCs,typically Li Ni_(0.9)Co_(0.05)Mn_(0.05)O_(2)(NCM9055),with much-improved mechanical and chemical stability based on the surface coating of the hydroxide precursors.Specifically,a conformal nanoshell containing both Al^(3+)and W^(6+)was first deposited around the precursor particles,and the following high-temperature lithiation produced the targeted NCM9055 with favorable structural features,where Al3+existed as a bulk dopant to enhance the structural stability while the high-valent W^(6+)promoted the microstructural evolution into radially-architectured elongated primary particles.Such a structural engineering benefiting from the Al^(3+)/W^(6+)co-modification endowed the prepared NCM9055 cathode(NCM9055-Al W)with much-improved cycling stability,as revealed by a high-capacity retention of 98.0%after 100 cycles(tested at 0.5 C,4.3 V)as compared to only 79.0%for the pristine cathode without Al^(3+)/W^(6+).The NCM9055-15Al W cathode also showed a high-rate capability with extraordinary structural stability against mechanical failure.Our study highlighted the enormous potential of precursor multi-element treatment as an effective tool in structural refinement of NRCs to circumvent their stability challenge for their applications in high-energy LIBs.展开更多
Sandwich structures are widely favored for their lightweight,high strength and superior impact mitigation capabilities in blast mitigation and transportation safety applications.Their application in large-scale,high-e...Sandwich structures are widely favored for their lightweight,high strength and superior impact mitigation capabilities in blast mitigation and transportation safety applications.Their application in large-scale,high-energy rockfall protection remains limited due to their relatively low volumetric energy absorption efficiency and the complex fabrication processes of key energy-absorbing components.To address these limitations,this study proposes a novel sandwich structure incorporating mild steel tubes as core energy absorbers to efficiently mitigate highenergy rockfall impacts.A finite element model was developed in LS-DYNA to systematically investigate the deformation and energy absorption behaviors.Comprehensive parametric analyses were conducted to quantify the effects of key design variables,including tube wall thickness,tube spacing(number of tubes),and infill materials.The results demonstrate that increasing tube wall thickness significantly enhances ultimate energy absorption,with 12-mm-thick tubes absorbing 2.2 times more energy than 6-mm-thick tubes.Lateral constraints induced by adjacent tubes improve specific energy absorption per unit displacement by approximately 30%-45%.Furthermore,incorporating infill materials considerably enhances energy absorption,with aluminum foam infills achieving an 81%increase compared to empty tubes.Nevertheless,higher energy absorption capacity typically leads to greater peak impact forces,increasing the number of tubes offers a better balance between energy absorption and impact force,optimizing the structural performance.These findings provide valuable theoretical insights and practical guidelines for designing sandwich structures in civil and infrastructure engineering applications for effective rockfall protection.展开更多
From cracking the code of viruses to mentoring the next generation of scientists,the former president of Nankai University has contributed a lot to turning microscopic discoveries into monumental shields for global he...From cracking the code of viruses to mentoring the next generation of scientists,the former president of Nankai University has contributed a lot to turning microscopic discoveries into monumental shields for global health.OVER the past 40 years,one man has distinguished himself through a deep commitment to researching protein structures of high pathogenic viruses,and published numerous significant works in top international scientific journals.展开更多
Achieving high energy and power densities is currently a core challenge in the fabrication of energy storage materials.Although numerous high-capacity materials have been developed,conventional planar electrodes canno...Achieving high energy and power densities is currently a core challenge in the fabrication of energy storage materials.Although numerous high-capacity materials have been developed,conventional planar electrodes cannot achieve high active material loading and efficient ion/electron transport simultaneously.By contrast,three-dimensional(3D)structures have attracted increasing interest because of their capacity to enhance active material utilization,shorten ion and electron transport pathways,reduce interfacial impedance,and provide spatial accommodation for volume expansion.Additive manufacturing(AM)technology effectively fabricates energy-storage materials with 3D structures by accurately constructing complex 3D structures via layer-by-layer deposition.Recent studies have employed AM to construct ordered 3D electrodes that can optimize ion/electron transport,regulate electric field distribution,or improve the electrode-electrolyte interface,thereby contributing to enhanced kinetic performance and cycling stability.This review systematically summarizes the applications of several AM technologies in the fabrication of energy storage materials and analyzes their respective advantages and limitations.Subsequently,the advantages of AM technology in the fabrication of energy storage materials and several major optimization strategies are comprehensively discussed.Finally,the major challenges and potential applications of AM technology in energy storage material optimization are discussed.展开更多
Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-ins...Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-inspired lattice structures feature a square-grid 2D lattice with double diagonal bracings and are additively manufactured via digital light processing(DLP).The collapse strength and energy absorption capacity of sea sponge lattice structures are evaluated under various impact conditions and are compared to those of their constituent square-grid and double diagonal lattices.This study demonstrates that sea sponge lattices can achieve an 11-fold increase in energy absorption compared to the square-grid lattice,due to the stabilizing effect of the double diagonal bracings prompting the structure to collapse layer-bylayer under impact.By adjusting the thickness ratio in the sea sponge lattice,up to 76.7%increment in energy absorption is attained.It is also shown that sea-sponge lattices outperform well-established energy-absorbing materials of equal weight,such as hexagonal honeycombs,confirming their significant potential for impact mitigation.Additionally,this research highlights the enhancements in energy absorption achieved by adding a small amount(0.015 phr)of Multi-Walled Carbon Nanotubes(MWCNTs)to the photocurable resin,thus unlocking new possibilities for the design of innovative lightweight structures with multifunctional attributes.展开更多
To elucidate the effect of calcite-regulated activated carbon(AC)structure on low-temperature denitrification performance of SCR catalysts,this work prepared a series of Mn-Ce/De-AC-xCaCO_(3)(x is the calcite content ...To elucidate the effect of calcite-regulated activated carbon(AC)structure on low-temperature denitrification performance of SCR catalysts,this work prepared a series of Mn-Ce/De-AC-xCaCO_(3)(x is the calcite content in coal)catalysts were prepared by the incipient wetness impregnation method,followed by acid washing to remove calcium-containing minerals.Comprehensive characterization and low-temperature denitrification tests revealed that calcite-induced structural modulation of coal-derived AC significantly enhances catalytic activity.Specifically,NO conversion increased from 88.3%of Mn-Ce/De-AC to 91.7%of Mn-Ce/De-AC-1CaCO_(3)(210℃).The improved SCR denitrification activity results from the enhancement of physicochemical properties including higher Mn^(4+)content and Ce^(4+)/Ce^(3+)ratio,an abundance of chemisorbed oxygen and acidic sites,which could strengthen the SCR reaction pathways(richer NH_(3)activated species and bidentate nitrate active species).Therefore,NO removal is enhanced.展开更多
The hydrated tricyclohexyltin theophylline-7-acetic acid(tpH)complex[Sn(C_(6)H_(11))_(3)(tp)(H_(2)O)]was synthesized via an ethanol solvothermal method using tricyclohexyltin hydroxide and tpH in a 1∶1 molar ratio.Th...The hydrated tricyclohexyltin theophylline-7-acetic acid(tpH)complex[Sn(C_(6)H_(11))_(3)(tp)(H_(2)O)]was synthesized via an ethanol solvothermal method using tricyclohexyltin hydroxide and tpH in a 1∶1 molar ratio.The complex was characterized by IR,^(1)H(^(13)C)NMR,elemental analysis,and powder X-ray diffraction,and the crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the orthorhombic system with space group Iba2,and the central tin atom is in a five-coordinated trigonal bipyramidal configuration.Quantum chemistry ab initio calculations were performed to investigate the stability,molecular orbital energy,and frontier molecular orbital characteristics of the complex.Additionally,its thermal stability,electrochemical properties,and in vitro anticancer activity were evaluated.CCDC:2380308.展开更多
AlGaN-based deep-ultraviolet(DUV)laser diodes(LDs)face performance challenges due to elec-tron leakage and poor hole injection which is often worsened by polarization effects from conventional elec-tron blocking layer...AlGaN-based deep-ultraviolet(DUV)laser diodes(LDs)face performance challenges due to elec-tron leakage and poor hole injection which is often worsened by polarization effects from conventional elec-tron blocking layers(EBLs).To overcome these limitations,we propose an EBL-free DUV LD design incor-porating a 1-nm undoped Al_(0.8)Ga_(0.2)N thin strip layer after the last quantum barrier.Using PICS3D simula-tions,we evaluate the optical and electrical characteristics.Results show a significant increase in effective electron barrier height(from 158.2 meV to 420.7 meV)and a reduction in hole barrier height(from 149.2 meV to 62.8 meV),which enhance hole injection and reduce electron leakage.The optimized structure(LD3)achieves a 14%increase in output power,improved slope efficiency(1.85 W/A),and lower threshold current.This design also reduces the quantum confined Stark effect and forms dual hole accumulation regions,im-proving recombination efficiency.展开更多
Conventional Tb^(3+)-doped phosphors typically suffer from concentration quenching once the doping level exceeds a critical threshold.Consequently,the development of Tb^(3+)phosphors with intrinsic resistance to conce...Conventional Tb^(3+)-doped phosphors typically suffer from concentration quenching once the doping level exceeds a critical threshold.Consequently,the development of Tb^(3+)phosphors with intrinsic resistance to concentration quenching has become a key research focus.In this work,we successfully synthesized KBi(MoO_(4))_(2):x Tb^(3+)(x=0-100 at%)(denoted as KBM:x Tb^(3+))phosphors via a high-temperature solid-state reaction.Remarkably,no concentration quenching was observed across the entire doping range.This anti-quenching behavior originates from the large Tb^(3+)-Tb^(3+)interionic distance(>5Å)inherent to the quasi-layered crystal structure,which effectively suppresses multipole-interaction-mediated energy migration.At full Tb^(3+)substitution(x=100 at%),the material undergoes a structural phase transition from the monoclinic KBM phase to the triclinicα-KTb(MoO_(4))_(2)(α-KTM)phase.Theα-KTM phosphor exhibits excellent thermal stability(activation energy=0.6129 eV)and a single-exponential decay profile,whereas KBM:x Tb^(3+)(x<100%)display double-exponential decay behaviors,attributed to dual energy transfer pathways.These findings provide new insights into the luminescence mechanisms of high-concentration rare-earth-doped systems and offer guidance for designing nextgeneration anti-quenching phosphors.展开更多
基金the financial supports from National Key R&D Program for Young Scientists of China(Grant No.2022YFC3080900)National Natural Science Foundation of China(Grant No.52374181)+1 种基金BIT Research and Innovation Promoting Project(Grant No.2024YCXZ017)supported by Science and Technology Innovation Program of Beijing institute of technology under Grant No.2022CX01025。
文摘In this study,an inverse design framework was established to find lightweight honeycomb structures(HCSs)with high impact resistance.The hybrid HCS,composed of re-entrant(RE)and elliptical annular re-entrant(EARE)honeycomb cells,was created by constructing arrangement matrices to achieve structural lightweight.The machine learning(ML)framework consisted of a neural network(NN)forward regression model for predicting impact resistance and a multi-objective optimization algorithm for generating high-performance designs.The surrogate of the local design space was initially realized by establishing the NN in the small sample dataset,and the active learning strategy was used to continuously extended the local optimal design until the model converged in the global space.The results indicated that the active learning strategy significantly improved the inference capability of the NN model in unknown design domains.By guiding the iteration direction of the optimization algorithm,lightweight designs with high impact resistance were identified.The energy absorption capacity of the optimal design reached 94.98%of the EARE honeycomb,while the initial peak stress and mass decreased by 28.85%and 19.91%,respectively.Furthermore,Shapley Additive Explanations(SHAP)for global explanation of the NN indicated a strong correlation between the arrangement mode of HCS and its impact resistance.By reducing the stiffness of the cells at the top boundary of the structure,the initial impact damage sustained by the structure can be significantly improved.Overall,this study proposed a general lightweight design method for array structures under impact loads,which is beneficial for the widespread application of honeycomb-based protective structures.
基金National Key Research and Development Program of China(2023YFA1609000)National Natural Science Foundation of China(62474190,U22B2043,U2267210)。
文摘The single-event susceptibility of three silicon carbide(SiC)metal-oxide-semiconductor field-effect transistor(MOSFET)power devices structures(planar,trench and double trench)is researched by the technology computer-aided design(TCAD)simulation.Comparative analysis of the heavy-ion irradiation effects on three device structures reveals distinct susceptibility characteristics.The gate oxide region is identified as the most sensitive position in planar devices,while trench and doubletrench structures exhibit no localized sensitive regions.Furthermore,the single-event susceptibility demonstrates strong depth dependence across all three structures,with enhanced vulnerability observed at greater ion penetration depths.
文摘Six new lanthanide complexes:[Ln(3,4-DEOBA)3(4,4'-DM-2,2'-bipy)]2·2C_(2)H_(5)OH,[Ln=Dy(1),Eu(2),Tb(3),Sm(4),Ho(5),Gd(6);3,4-DEOBA-=3,4-diethoxybenzoate,4,4'-DM-2,2'-bipy=4,4'-dimethyl-2,2'-bipyridine]were successfully synthesized by the volatilization of the solution at room temperature.The crystal structures of six complexes were determined by single-crystal X-ray diffraction technology.The results showed that the complexes all have a binuclear structure,and the structures contain free ethanol molecules.Moreover,the coordination number of the central metal of each structural unit is eight.Adjacent structural units interact with each other through hydrogen bonds and further expand to form 1D chain-like and 2D planar structures.After conducting a systematic study on the luminescence properties of complexes 1-4,their emission and excitation spectra were obtained.Experimental results indicated that the fluorescence lifetimes of complexes 2 and 3 were 0.807 and 0.845 ms,respectively.The emission spectral data of complexes 1-4 were imported into the CIE chromaticity coordinate system,and their corre sponding luminescent regions cover the yellow light,red light,green light,and orange-red light bands,respectively.Within the temperature range of 299.15-1300 K,the thermal decomposition processes of the six complexes were comprehensively analyzed by using TG-DSC/FTIR/MS technology.The hypothesis of the gradual loss of ligand groups during the decomposition process was verified by detecting the escaped gas,3D infrared spectroscopy,and ion fragment information detected by mass spectrometry.The specific decomposition path is as follows:firstly,free ethanol molecules and neutral ligands are removed,and finally,acidic ligands are released;the final product is the corresponding metal oxide.CCDC:2430420,1;2430422,2;2430419,3;2430424,4;2430421,5;2430423,6.
基金Supported by National Natural Science Foundation of China(22378180,22078141)Education Department Foundation of Liaoning Province(JYTMS20230960)。
文摘To deepen understanding of the evolution of coal char microstructural properties of coal char during the co-pyrolysis of coking coal with additives,this study incorporated two typical additives,coal tar pitch(CTP)and waste plastic(HDPE),into a blended coal sample and carried out pyrolysis experiments.The pyrolysis process and the microstructure of char were systematically characterized using various analytical techniques,including thermogravimetric analysis(TGA),X-ray diffraction(XRD)and Raman spectroscopy.Data correlation analysis was performed to reveal the mechanism of carbon structural ordering evolution within the critical temperature range(350−600℃)from colloidal layer formation to semi-coke conversion in coking coal,and to elucidate the regulatory effects of different additives on coal pyrolysis pathways.The results indicate that HDPE releases free radicals during high-temperature pyrolysis,accelerating the pyrolysis reaction and increase the yield of volatile components.Conversely,CTP facilitates pyrolysis at low temperatures through its light components,thereby delaying high-temperature reactions due to the colloidal layer’s effect.XRD results indicate that during the process of pyrolysis,there is a progressive decrease in the interlayer spacing of aromatic layers(d002),while the aromatic ring stacking height(L_(c))and lateral size(L_(a))undergo significant of carbon skeleton ordering.Further comparative reveals that CTP partially suppresses structural ordering at low temperatures,whereas HDPE promotes the condensation and alignment of aromatic clusters via a free radical mechanism.Raman spectroscopy reveals a two-stage reorganization mechanism in the microstructure of the coal char:the decrease in the I_(D)/I_(G)ratio between 350 and 550℃is primarily attributed to the cleavage of aliphatic side chains and cross-linking bonds,leading to a reduction in defective structures;whereas the increase in ID/IG between 550 and 600℃is closely associated with enhanced condensation reactions of aromatic structures.Correlation analysis further demonstrates progressive graphitization during pyrolysis,with a significant positive correlation(R^(2)>0.85)observed between d002 and the full width at half maximum of the G-band(FWHM-G).
基金Supported by the National Key Research and Development Program of Traditional Chinese Medicine Modernization Project,China(No.2023YFC3504000)the Science and Technology Development Project of Jilin Province,China(No.20240404043ZP)the Science and Technology Innovation Cooperation Project of Changchun Science and Technology Bureau and Chinese Academy of Sciences,China(No.23SH14)。
文摘In this study,a novel polysaccharide GPA-G 2-H was derived from ginseng.Furthermore,the coherent study of its structural characteristics,fermented characteristics in vitro,as well as antioxidant mechanism of fermented product FGPA-G 2-H on Aβ25-35-induced PC 12 cells were explored.The structure of GPA-G 2-H was determined by means of zeta potential analysis,FTIR,HPLC,XRD,GC-MS and NMR.The backbone of GPA-G 2-H was mainly composed of→4)-α-D-Glcp-(1→with branches substituted at O-3.Notably,GPA-G 2-H was degraded by intestinal microbiota in vitro with total sugar content and pH value decreasing,and short-chain fatty acids(SCFAs)increasing.Moreover,GPA-G 2-H significantly promoted the proliferation of Lactobacillus,Muribaculaceae and Weissella,thereby making positive alterations in intestinal microbiota composition.Additionally,FGPA-G 2-H activated the Nrf 2/HO-1 signaling pathway,enhanced HO-1,NQO 1,SOD and GSH-Px,while inhabited Keap 1,MDA and LDH,which alleviated Aβ-induced oxidative stress in PC 12 cells.These provide a solid theoretical basis for the further development of ginseng polysaccharides as functional food and antioxidant drugs.
文摘Two Co(Ⅱ)and Ni(Ⅱ)complexes were synthesized by synergistic coordination of 3,3-diphenylpropionic acid(HDPA)and 2,2′-bipyridylamine(PAm).The structures of complexes[Co(DPA)_(2)(PAm)]·2H_(2)O(1)and[Ni(DPA)_(2)(PAm)]·2H_(2)O(2)were determined by single-crystal X-ray diffraction,IR spectroscopy,and powder X-ray diffraction.Hirshfeld surface analysis provided quantitative insights into the intermolecular interactions within the complexes,while molecular docking studies elucidated their binding modes and affinities toward urease.Furthermore,the biological activities of both complexes were systematically evaluated through a range of assays,including DNA binding,urease inhibition,antibacterial activity,and in vitro cytotoxicity against cancer cells.Both complexes exhibited binding affinity for DNA and displayed notable urease inhibitory activity.Under in vitro conditions,both complexes showed appreciable cytotoxicity toward HepG2 cells with efficacy comparable to clinically used platinumbased anticancer agents.CCDC:2479943,1;2479944,2.
基金supported by the National Natural Science Foundation of China(Grant Nos.12432005 and 12472116)the Fundamental Research Funds for the Central Universities(DUTZD25240).
文摘Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimization method grounded in the global adjustment of nodal coordinates.First,a build direction is selected to minimize the number of violating struts.Then,an angular-constraint matrix is assembled from strut direction vectors,and analytical sensitivities with respect to nodal coordinates are derived to enable efficient constrained optimization under nonlinear angular inequality constraints.Numerical studies on two complex curved-surface lattices demonstrate that all overhang violations are eliminated while only minor changes are induced in global stiffness and strength.In particular,the maximum displacement of an ergonomic insole varies by only 2.87%after optimization.The results confirm the method’s versatility and engineering robustness,providing a practical approach for additive manufacturing-oriented lattice structure design.
基金National Natural Science Foundation of China(12372152)Guangdong Basic and Applied Basic Research Foundation(2023A1515011819,2024A1515012469)Shandong Provincial Natural Science Foundation(ZR2023MA058)。
文摘The core-shell structure in bulk TiNb binary alloy was designed and studied by phase-field simulations,where various core-shell structures were obtained by precise control of the initial and boundary conditions of the TiNb binary alloy system during spinodal decomposition,and then the formation mechanism of core-shell structure was revealed.In addition,the influences of initial temperature gradient,average temperature,and initial concentration distribution of the system on the core-shell structure were investigated.Results show that the initial concentration gradient is the key factor for forming the core-shell structure.Besides,larger initial temperature gradient and higher average temperature can promote the formation of core-shell structure,which can be stabilized by adjusting the initial concentration distribution of the Nb-rich region in TiNb binary alloy.As a theoretical basis,this research provides a novel and simple strategy for the preparation of TiNb-based alloys and other materials with peculiar core-shell structures and desirable mechanical and physical properties.
基金Doctoral Startup Fund(20192066,20212028)Laijin Excellent Doctoral Fund(20202021)+1 种基金Scientific and Technological Innovation of Colleges and Universities in Shanxi Province(2020L0342)Fundamental Research Program of Shanxi Province(202303021222178)。
文摘SiC/Al-based composite foams were prepared by a two-step foaming method.The influence of the SiC content and its distribution uniformity on the foaming stability,cell structure,and mechanical properties of the aluminum foams was investigated.The macro/micro-features of the aluminum foams were characterized and analyzed.Results demonstrate that an appropriate increase in SiC content and the uniform distribution of SiC can improve the foaming stability,optimize the cell diameter and cell wall thickness,ameliorate the cell distribution,and enhance the hardness and compressive strength of the aluminum foams.However,either insufficient or excessive SiC leads to uneven distribution of SiC particles,which is unfavorable to foaming stability and good cell structure formation.With 6wt%SiC,both the foaming stability and cell structure of the aluminum foam reach the optimal state,resulting in the highest compressive strength and optimal energy absorption capacity.
文摘This paper reports the preparation of three di‑iron complexes containing a thiazole moiety.Esterification of complex[Fe_(2)(CO)_(6)(μ‑SCH_(2)CH(CH_(2)OH)S)](1)with 4‑methylthiazole‑5‑carboxylic acid gave the corresponding ester[Fe_(2)(CO)_(6)(μ‑tedt)](2),where tedt=SCH_(2)CH(CH_(2)OOC(5‑C_(3)HNSCH_(3)))S.Further reactions of complex 2 with tri(ptolyl)phosphine(tp)or tris(4‑fluorophenyl)phosphine(fp)gave the phosphine‑substituted derivatives[Fe_(2)(CO)_(5)(tp)(μ‑tedt)](3)and[Fe_(2)(CO)_(5)(fp)(μ‑tedt)](4).The structures of the newly prepared complexes were elucidated by elemental analysis,NMR,IR,and X‑ray photoelectron spectroscopy.Moreover,single‑crystal X‑ray diffraction analysis confirmed their molecular structures,showing that they contain a di‑iron core ligated by a bridged dithiolate bearing a thiazole moiety and terminal carbonyls.The electrochemical and electrocatalytic proton reduction were probed by cyclic voltammetry,revealing that three complexes can catalyze the reduction of protons to H_(2) under the electrochemical conditions.For comparison,complex 4 possessed the best efficiency with a turnover frequency of 23.5 s^(-1)at 10 mmol·L^(-1)HOAc concentration.In addition,the fungicidal activity of these complexes was also investigated in this study.CCDC:2477511,2;2477512,3;2477513,4.
基金supported by the National Natural Science Foundation of China(No.12202295)the International(Regional)Cooperation and Exchange Projects of the National Natural Science Foundation of China(No.W2421002)+2 种基金the Sichuan Science and Technology Program(No.2025ZNSFSC0845)Zhejiang Provincial Natural Science Foundation of China(No.ZCLZ24A0201)the Fundamental Research Funds for the Provincial Universities of Zhejiang(No.GK249909299001-004)。
文摘Deployable Composite Thin-Walled Structures(DCTWS)are widely used in space applications due to their ability to compactly fold and self-deploy in orbit,enabled by cutouts.Cutout design is crucial for balancing structural rigidity and flexibility,ensuring material integrity during large deformations,and providing adequate load-bearing capacity and stability once deployed.Most research has focused on optimizing cutout size and shape,while topology optimization offers a broader design space.However,the anisotropic properties of woven composite laminates,complex failure criteria,and multi-performance optimization needs have limited the exploration of topology optimization in this field.This work derives the sensitivities of bending stiffness,critical buckling load,and the failure index of woven composite materials with respect to element density,and formulates both single-objective and multi-objective topology optimization models using a linear weighted aggregation approach.The developed method was integrated with the commercial finite element software ABAQUS via a Python script,allowing efficient application to cutout design in various DCTWS configurations to maximize bending stiffness and critical buckling load under material failure constraints.Optimization of a classical tubular hinge resulted in improvements of 107.7%in bending stiffness and 420.5%in critical buckling load compared to level-set topology optimization results reported in the literature,validating the effectiveness of the approach.To facilitate future research and encourage the broader adoption of topology optimization techniques in DCTWS design,the source code for this work is made publicly available via a Git Hub link:https://github.com/jinhao-ok1/Topo-for-DCTWS.git.
基金supported by the National Key R&D Program of China(Grant No.2022YFB2404402)the National Natural Science Foundation of China(Grant Nos.22025507,22421001,and 22409200)+1 种基金the Strategic Priority Research Program of the Chinese Academy of SciencesGrant No.XDB 1040200。
文摘Nickel-rich cathodes(NRCs)hold great promise for next-generation high-energy lithium-ion batteries(LIBs)due to high specific energy and low cost.However,the higher Ni content exacerbates the instability issues associated with structural degradation and side reactions during electrochemical cycling.Herein,we demonstrate the possibility of preparing NRCs,typically Li Ni_(0.9)Co_(0.05)Mn_(0.05)O_(2)(NCM9055),with much-improved mechanical and chemical stability based on the surface coating of the hydroxide precursors.Specifically,a conformal nanoshell containing both Al^(3+)and W^(6+)was first deposited around the precursor particles,and the following high-temperature lithiation produced the targeted NCM9055 with favorable structural features,where Al3+existed as a bulk dopant to enhance the structural stability while the high-valent W^(6+)promoted the microstructural evolution into radially-architectured elongated primary particles.Such a structural engineering benefiting from the Al^(3+)/W^(6+)co-modification endowed the prepared NCM9055 cathode(NCM9055-Al W)with much-improved cycling stability,as revealed by a high-capacity retention of 98.0%after 100 cycles(tested at 0.5 C,4.3 V)as compared to only 79.0%for the pristine cathode without Al^(3+)/W^(6+).The NCM9055-15Al W cathode also showed a high-rate capability with extraordinary structural stability against mechanical failure.Our study highlighted the enormous potential of precursor multi-element treatment as an effective tool in structural refinement of NRCs to circumvent their stability challenge for their applications in high-energy LIBs.
基金supported by the National Key R&D Program of China(Grant No.2019YFC1509703)the Tianjin Science and Technology Program Project(Grant No.23YFYSHZ00130)。
文摘Sandwich structures are widely favored for their lightweight,high strength and superior impact mitigation capabilities in blast mitigation and transportation safety applications.Their application in large-scale,high-energy rockfall protection remains limited due to their relatively low volumetric energy absorption efficiency and the complex fabrication processes of key energy-absorbing components.To address these limitations,this study proposes a novel sandwich structure incorporating mild steel tubes as core energy absorbers to efficiently mitigate highenergy rockfall impacts.A finite element model was developed in LS-DYNA to systematically investigate the deformation and energy absorption behaviors.Comprehensive parametric analyses were conducted to quantify the effects of key design variables,including tube wall thickness,tube spacing(number of tubes),and infill materials.The results demonstrate that increasing tube wall thickness significantly enhances ultimate energy absorption,with 12-mm-thick tubes absorbing 2.2 times more energy than 6-mm-thick tubes.Lateral constraints induced by adjacent tubes improve specific energy absorption per unit displacement by approximately 30%-45%.Furthermore,incorporating infill materials considerably enhances energy absorption,with aluminum foam infills achieving an 81%increase compared to empty tubes.Nevertheless,higher energy absorption capacity typically leads to greater peak impact forces,increasing the number of tubes offers a better balance between energy absorption and impact force,optimizing the structural performance.These findings provide valuable theoretical insights and practical guidelines for designing sandwich structures in civil and infrastructure engineering applications for effective rockfall protection.
文摘From cracking the code of viruses to mentoring the next generation of scientists,the former president of Nankai University has contributed a lot to turning microscopic discoveries into monumental shields for global health.OVER the past 40 years,one man has distinguished himself through a deep commitment to researching protein structures of high pathogenic viruses,and published numerous significant works in top international scientific journals.
基金support of the National Natural Science Foundation of China(No.52574411)Beijing Natural Science Foundation(No.2242043).
文摘Achieving high energy and power densities is currently a core challenge in the fabrication of energy storage materials.Although numerous high-capacity materials have been developed,conventional planar electrodes cannot achieve high active material loading and efficient ion/electron transport simultaneously.By contrast,three-dimensional(3D)structures have attracted increasing interest because of their capacity to enhance active material utilization,shorten ion and electron transport pathways,reduce interfacial impedance,and provide spatial accommodation for volume expansion.Additive manufacturing(AM)technology effectively fabricates energy-storage materials with 3D structures by accurately constructing complex 3D structures via layer-by-layer deposition.Recent studies have employed AM to construct ordered 3D electrodes that can optimize ion/electron transport,regulate electric field distribution,or improve the electrode-electrolyte interface,thereby contributing to enhanced kinetic performance and cycling stability.This review systematically summarizes the applications of several AM technologies in the fabrication of energy storage materials and analyzes their respective advantages and limitations.Subsequently,the advantages of AM technology in the fabrication of energy storage materials and several major optimization strategies are comprehensively discussed.Finally,the major challenges and potential applications of AM technology in energy storage material optimization are discussed.
基金supported by the Khalifa University of Science and Technology internal grants(Nos.2021-CIRA-109,2020-CIRA-007,and 2020-CIRA-024).
文摘Low-velocity impact tests are carried out to explore the energy absorption characteristics of bio-inspired lattices,mimicking the architecture of the marine sponge organism Euplectella aspergillum.These sea sponge-inspired lattice structures feature a square-grid 2D lattice with double diagonal bracings and are additively manufactured via digital light processing(DLP).The collapse strength and energy absorption capacity of sea sponge lattice structures are evaluated under various impact conditions and are compared to those of their constituent square-grid and double diagonal lattices.This study demonstrates that sea sponge lattices can achieve an 11-fold increase in energy absorption compared to the square-grid lattice,due to the stabilizing effect of the double diagonal bracings prompting the structure to collapse layer-bylayer under impact.By adjusting the thickness ratio in the sea sponge lattice,up to 76.7%increment in energy absorption is attained.It is also shown that sea-sponge lattices outperform well-established energy-absorbing materials of equal weight,such as hexagonal honeycombs,confirming their significant potential for impact mitigation.Additionally,this research highlights the enhancements in energy absorption achieved by adding a small amount(0.015 phr)of Multi-Walled Carbon Nanotubes(MWCNTs)to the photocurable resin,thus unlocking new possibilities for the design of innovative lightweight structures with multifunctional attributes.
基金Supported by the Science and Technology Cooperation and Exchange special project of Cooperation of Shanxi Province(202404041101014)the Fundamental Research Program of Shanxi Province(202403021212333)+3 种基金the Joint Funds of the National Natural Science Foundation of China(U24A20555)the Lvliang Key R&D of University-Local Cooperation(2023XDHZ10)the Initiation Fund for Doctoral Research of Taiyuan University of Science and Technology(20242026)the Outstanding Doctor Funding Award of Shanxi Province(20242080).
文摘To elucidate the effect of calcite-regulated activated carbon(AC)structure on low-temperature denitrification performance of SCR catalysts,this work prepared a series of Mn-Ce/De-AC-xCaCO_(3)(x is the calcite content in coal)catalysts were prepared by the incipient wetness impregnation method,followed by acid washing to remove calcium-containing minerals.Comprehensive characterization and low-temperature denitrification tests revealed that calcite-induced structural modulation of coal-derived AC significantly enhances catalytic activity.Specifically,NO conversion increased from 88.3%of Mn-Ce/De-AC to 91.7%of Mn-Ce/De-AC-1CaCO_(3)(210℃).The improved SCR denitrification activity results from the enhancement of physicochemical properties including higher Mn^(4+)content and Ce^(4+)/Ce^(3+)ratio,an abundance of chemisorbed oxygen and acidic sites,which could strengthen the SCR reaction pathways(richer NH_(3)activated species and bidentate nitrate active species).Therefore,NO removal is enhanced.
文摘The hydrated tricyclohexyltin theophylline-7-acetic acid(tpH)complex[Sn(C_(6)H_(11))_(3)(tp)(H_(2)O)]was synthesized via an ethanol solvothermal method using tricyclohexyltin hydroxide and tpH in a 1∶1 molar ratio.The complex was characterized by IR,^(1)H(^(13)C)NMR,elemental analysis,and powder X-ray diffraction,and the crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the orthorhombic system with space group Iba2,and the central tin atom is in a five-coordinated trigonal bipyramidal configuration.Quantum chemistry ab initio calculations were performed to investigate the stability,molecular orbital energy,and frontier molecular orbital characteristics of the complex.Additionally,its thermal stability,electrochemical properties,and in vitro anticancer activity were evaluated.CCDC:2380308.
文摘AlGaN-based deep-ultraviolet(DUV)laser diodes(LDs)face performance challenges due to elec-tron leakage and poor hole injection which is often worsened by polarization effects from conventional elec-tron blocking layers(EBLs).To overcome these limitations,we propose an EBL-free DUV LD design incor-porating a 1-nm undoped Al_(0.8)Ga_(0.2)N thin strip layer after the last quantum barrier.Using PICS3D simula-tions,we evaluate the optical and electrical characteristics.Results show a significant increase in effective electron barrier height(from 158.2 meV to 420.7 meV)and a reduction in hole barrier height(from 149.2 meV to 62.8 meV),which enhance hole injection and reduce electron leakage.The optimized structure(LD3)achieves a 14%increase in output power,improved slope efficiency(1.85 W/A),and lower threshold current.This design also reduces the quantum confined Stark effect and forms dual hole accumulation regions,im-proving recombination efficiency.
基金supported by the Natural Science Research Project of Anhui Province Education Department for Excellent Young Scholars(Grant No.2024AH030007)the National Natural Science Foundation of China(Grant No.52202001)。
文摘Conventional Tb^(3+)-doped phosphors typically suffer from concentration quenching once the doping level exceeds a critical threshold.Consequently,the development of Tb^(3+)phosphors with intrinsic resistance to concentration quenching has become a key research focus.In this work,we successfully synthesized KBi(MoO_(4))_(2):x Tb^(3+)(x=0-100 at%)(denoted as KBM:x Tb^(3+))phosphors via a high-temperature solid-state reaction.Remarkably,no concentration quenching was observed across the entire doping range.This anti-quenching behavior originates from the large Tb^(3+)-Tb^(3+)interionic distance(>5Å)inherent to the quasi-layered crystal structure,which effectively suppresses multipole-interaction-mediated energy migration.At full Tb^(3+)substitution(x=100 at%),the material undergoes a structural phase transition from the monoclinic KBM phase to the triclinicα-KTb(MoO_(4))_(2)(α-KTM)phase.Theα-KTM phosphor exhibits excellent thermal stability(activation energy=0.6129 eV)and a single-exponential decay profile,whereas KBM:x Tb^(3+)(x<100%)display double-exponential decay behaviors,attributed to dual energy transfer pathways.These findings provide new insights into the luminescence mechanisms of high-concentration rare-earth-doped systems and offer guidance for designing nextgeneration anti-quenching phosphors.
