Aims and scope Journal of Systems Engineering and Electronics,keeping abreast with the development trend of science and technology worldwide,reports the latest developments and achievements in both theoretical and pra...Aims and scope Journal of Systems Engineering and Electronics,keeping abreast with the development trend of science and technology worldwide,reports the latest developments and achievements in both theoretical and practical aspects of systems engineering,electronics and related research areas.The journal welcomes high quality original papers from a wide range of countries.The scope of the journal includes systems engineering,military systems,electronic technology,defense electronic technology,control theory and practice,software algorithm and simulation,reliability,computer development and application,and other topics in all related fields.展开更多
The Jellium closed-shell model,a cornerstone of cluster science,has long guided the design of superatoms by dictating electron-counting rules.However,its reliance on precise control of cluster composition and electron...The Jellium closed-shell model,a cornerstone of cluster science,has long guided the design of superatoms by dictating electron-counting rules.However,its reliance on precise control of cluster composition and electron shell occupancy presents significant experimental challenges.Here,we introduce a ligation strategy that circumvents these limitations by demonstrating that the adiabatic electron affinity(AEA) of aluminum-based clusters,whether with filled or partially filled electron shells,can be dramatically enhanced through the attachment of organic Lewis acid ligands.It was evidenced that the AEA of PAl12can be significantly increased by 2.17 e V after the ligation of two ligands,indicating a remarkable improvement in its electron-accepting ability.This approach yields superhalogen species,offering a versatile and practical means to tune the electronic properties of clusters while preserving their superatomic states,independent of shell occupancy.Remarkably,this ligand-induced modulation is not confined to naked clusters but also extends to nano-confined systems,hinting at its broader applicability.Given the indispensable role of ligands in cluster synthesis,this strategy holds promise for advancing the field of condensed-phase superatom synthesis,potentially complementing traditional electron-counting rules in a broader range of applications.展开更多
Aims ENGINEERING Information Technology&Electronic Engineering(EITEE),formerly known as Frontiers of Information Technology&Electronic Engineering(2015-2025)and Journal of Zhejiang University SCIENCE C(Compute...Aims ENGINEERING Information Technology&Electronic Engineering(EITEE),formerly known as Frontiers of Information Technology&Electronic Engineering(2015-2025)and Journal of Zhejiang University SCIENCE C(Computers&Electronics)(2010-2014),is a peer-reviewed scientific journal launched by the Chinese Academy of Engineering and Zhejiang University that aims to present the latest developments and achievements in information technology and electronic engineering to stimulate and promote academic exchanges between Chinese and foreign scientists.展开更多
Achieving high-energy density remains a key objective for advanced energy storage systems.However,challenges,such as poor cathode conductivity,anode dendrite formation,polysulfide shuttling,and electrolyte degradation...Achieving high-energy density remains a key objective for advanced energy storage systems.However,challenges,such as poor cathode conductivity,anode dendrite formation,polysulfide shuttling,and electrolyte degradation,continue to limit performance and stability.Molecular and ionic dipole interactions have emerged as an effective strategy to address these issues by regulating ionic transport,modulating solvation structures,optimizing interfacial chemistry,and enhancing charge transfer kinetics.These interactions also stabilize electrode interfaces,suppress side reactions,and mitigate anode corrosion,collectively improving the durability of high-energy batteries.A deeper understanding of these mechanisms is essential to guide the design of next-generation battery materials.Herein,this review summarizes the development,classification,and advantages of dipole interactions in high-energy batteries.The roles of dipoles,including facilitating ion transport,controlling solvation dynamics,stabilizing the electric double layer,optimizing solid electrolyte interphase and cathode–electrolyte interface layers,and inhibiting parasitic reactions—are comprehensively discussed.Finally,perspectives on future research directions are proposed to advance dipole-enabled strategies for high-performance energy storage.This review aims to provide insights into the rational design of dipole-interactive systems and promote the progress of electrochemical energy storage technologies.展开更多
Peroxymonosulfate(PMS)-based advanced oxidation processes(AOPs)are an effective way to remove emerging contaminants(ECs)from water.The catalytic process involving PMS is hindered by the suboptimal electron trans-fer e...Peroxymonosulfate(PMS)-based advanced oxidation processes(AOPs)are an effective way to remove emerging contaminants(ECs)from water.The catalytic process involving PMS is hindered by the suboptimal electron trans-fer efficiency of current catalysts,the further application of AOPs technology is limited.Here,it is proposed that the interfacial electric field can be controlled by bor(B)-doped FeNC catalysts,which shows significant advantages in the efficient generation,release and participation of reactive oxygen species(ROS)in the reaction.The super exchange interaction between Fe sites and N and B sites is realized through the directional transfer of electrons in the interfacial electric field,which ensures the high efficiency and stability of the PMS catalytic process.B doping increases the d orbitals distribution at Fermi level,which facilitates enhanced electron transition activity,thereby promoting the effective generation of (1)^O_(2).At the same time,orbital hybridization causes the center of the d band to move to a lower energy level,which not only contributes to the desorption process of (1)^O_(2),but also accelerates its release.In addition,B-doping also improved the adsorption capacity of organic pollutants and shortened the migration distance of ROS,thereby significantly improving the degradation efficiency of ECs.The B-doping strategy outlined offers a novel approach to the development of FeNC catalysts,it lays a theoretical foundation and offers technical insights for the integration of PMS/AOPs technology in the ECs management.展开更多
Single-atom catalysts(SACs)have garnered significant attention in lithium-sulfur(Li-S)batteries for their potential to mitigate the severe polysulfide shuttle effect and sluggish redox kinetics.However,the development...Single-atom catalysts(SACs)have garnered significant attention in lithium-sulfur(Li-S)batteries for their potential to mitigate the severe polysulfide shuttle effect and sluggish redox kinetics.However,the development of highly efficient SACs and a comprehensive understanding of their structure-activity relationships remain enormously challenging.Herein,a novel kind of Fe-based SAC featuring an asymmetric FeN_(5)-TeN_(4) coordination structure was precisely designed by introducing Te atom adjacent to the Fe active center to enhance the catalytic activity.Theoretical calculations reveal that the neighboring Te atom modulates the local coordination environment of the central Fe site,elevating the d-band center closer to the Fermi level and strengthening the d-p orbital hybridization between the catalyst and sulfur species,thereby immobilizing polysulfides and improving the bidirectional catalysis of Li-S redox.Consequently,the Fe-Te atom pair catalyst endows Li-S batteries with exceptional rate performance,achieving a high specific capacity of 735 mAh g^(−1) at 5 C,and remarkable cycling stability with a low decay rate of 0.038%per cycle over 1000 cycles at 1 C.This work provides fundamental insights into the electronic structure modulation of SACs and establishes a clear correlation between precisely engineered atomic configurations and their enhanced catalytic performance in Li-S electrochemistry.展开更多
In alignment with the proposal of the Chinese Academy of En‐gineering(CAE)and its flagship journal Engineering,to promote the“ENGINEERING”brand of CAE journals,the journal Fron‐tiers of Information Technology&...In alignment with the proposal of the Chinese Academy of En‐gineering(CAE)and its flagship journal Engineering,to promote the“ENGINEERING”brand of CAE journals,the journal Fron‐tiers of Information Technology&Electronic Engineering will be renamed ENGINEERING Information Technology&Electronic Engineering(abbreviated as EITEE)starting January 2026.This issue marks the inaugural use of the new name.展开更多
Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled t...Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled thermomechanical fields remains insufficiently understood.In this study,transmission and scanning electron microscopy were employed to observe dislocation structures and grain boundary heterogeneities in processed aluminum alloys,suggesting stress concentrations and microstructural inhomogeneities associated with vacancy accumulation.To complement these observations,first-principles calculations and molecular dynamics simulations were conducted for seven single-vacancy configurations in face-centered cubic aluminum.The stress response,total energy,density of states(DOS),and differential charge density were examined under varying compressive strain(ε=0–0.1)and temperature(0–600 K).The results indicate that face-centered vacancies tend to reduce mechanical strength and perturb electronic states near the Fermi level,whereas corner and edge vacancies appear to have weaker effects.Elevated temperatures may partially restore electronic uniformity through thermal excitation.Overall,these findings suggest that vacancy position exerts a critical but position-dependent influence on coupled structure-property relationships,offering theoretical insights and preliminary experimental support for defect-engineered aluminum alloy design.展开更多
Stretchable electronics have been recognized as intriguing next-generation electronics that possess huge market value,and stretchable electronic conductors(SECs)are essential for stretchable electronics,which not only...Stretchable electronics have been recognized as intriguing next-generation electronics that possess huge market value,and stretchable electronic conductors(SECs)are essential for stretchable electronics,which not only can serve as critical functional components but also are the indispensable electronic connections bridging various electronic components within stretchable electronic systems.Herein,we offer a comprehensive review of recent progress in SECs including the material categories,structure designs,fabrication techniques,and applications.The characteristics,performance enhancement strategies,and application requirements are emphasized.Based on the recent advances,the existing challenges and future prospects are outlined and discussed.展开更多
Owing to their intricate molecular frameworks and copious chiral centers,the structural identification and configurational assignment of natural products are challenging tasks.Comprehensive spectral data analysis is c...Owing to their intricate molecular frameworks and copious chiral centers,the structural identification and configurational assignment of natural products are challenging tasks.Comprehensive spectral data analysis is crucial for the confirmation of absolute configurations.Ignoring critical parameters will lead to false structure,which may confuse the total synthesis and drug development.Herein,the configurations of seven heterogeneous Pallavicinia diterpenoids(PDs) isolated from Pallavicinia liverworts are revised using a combination of single-crystal X-ray diffraction and electronic circular dichroism(ECD) calculations.Meanwhile,identification of five unprecedented PD heterodimers PD-dimers A-E(18-22) along with eleven previously undescribed PDs(5-9,13-17,23) obtained by the reinvestigation of the Chinese liverwort Pallavicinia subciliata have resulted in corrections and support the revised conclusions.展开更多
Permeable electronics promise improved physiological comfort,but remain constrained by limited functional integration and poor mechanical robustness.Here,we report a three-dimensional(3D)permeable electronic system th...Permeable electronics promise improved physiological comfort,but remain constrained by limited functional integration and poor mechanical robustness.Here,we report a three-dimensional(3D)permeable electronic system that overcomes these challenges by combining electrospun SEBS nanofiber mats,high-resolution liquid metal conductors patterned via thermal imprinting(50μm),and a strain isolators(SIL)that protects vertical interconnects(VIAs)from stress concentration.This architecture achieves ultrahigh air permeability(>5.09 m L cm^(-2)min^(-1)),exceptional stretchability(750%fracture strain),and reliable conductivity maintained through more than 32,500 strain cycles.Leveraging these advances,we have integrated multilayer circuits,strain sensors,and a three-axis accelerometer to achieve a fully integrated,stretchable,permeable wireless real-time gesture recognition glove.The system enables accurate sign language interpretation(98%)and seamless robotic hand control,demonstrating its potential for assistive technologies.By uniting comfort,durability,and high-density integration,this work establishes a versatile platform for nextgeneration wearable electronics and interactive human-robot interfaces.展开更多
(NbZrHfTi)C high-entropy ceramics,as an emerging class of ultra-high-temperature materials,have garnered significant interest due to their unique multi-principal-element crystal structure and exceptional hightemperatu...(NbZrHfTi)C high-entropy ceramics,as an emerging class of ultra-high-temperature materials,have garnered significant interest due to their unique multi-principal-element crystal structure and exceptional hightemperature properties.This study systematically investigates the mechanical properties of(NbZrHfTi)C high-entropy ceramics by employing first-principles density functional theory,combined with the Debye-Grüneisen model,to explore the variations in their thermophysical properties with temperature(0–2000 K)and pressure(0–30 GPa).Thermodynamically,the calculated mixing enthalpy and Gibbs free energy confirm the feasibility of forming a stable single-phase solid solution in(NbZrHfTi)C.The calculated results of the elastic stiffness constant indicate that the material meets the mechanical stability criteria of the cubic crystal system,further confirming the structural stability.Through evaluation of key mechanical parameters—bulk modulus,shear modulus,Young’s modulus,and Poisson’s ratio—we provide comprehensive insight into the macro-mechanical behaviour of the material and its correlation with the underlying microstructure.Notably,compared to traditional binary carbides and their average properties,(NbZrHfTi)C exhibits higher Vickers hardness(Approximately 28.5 GPa)and fracture toughness(Approximately 3.4 MPa⋅m^(1/2)),which can be primarily attributed to the lattice distortion and solid-solution strengthening mechanism.The study also utilizes the quasi-harmonic approximation method to predict the material’s thermophysical properties,including Debye temperature(initial value around 563 K),thermal expansion coefficient(approximately 8.9×10^(−6) K−1 at 2000 K),and other key parameters such as heat capacity at constant volume.The results show that within the studied pressure and temperature ranges,(NbZrHfTi)C consistently maintains a stable phase structure and good thermomechanical properties.The thermal expansion coefficient increasing with temperature,while heat capacity approaches the Dulong-Petit limit at elevated temperatures.These findings underscore the potential of(NbZrHfTi)C applications in ultra-high temperature thermal protection systems,cutting tool coatings,and nuclear structural materials.展开更多
Robotic electronic skin(e-skin)is inspired by human skin and endows robots with tactile perception,temperature detection,and environmental interaction capabilities.However,its development is hampered by prolonged desi...Robotic electronic skin(e-skin)is inspired by human skin and endows robots with tactile perception,temperature detection,and environmental interaction capabilities.However,its development is hampered by prolonged design cycles,limited signal enhancement,and weak cognitive abilities.Given that the convergence of artificial intelligence(AI)with e-skin is fundamentally transforming this landscape,the present review highlights the pivotal contributions of AI across the entire development spectrum of robotic e-skin,including design optimization,signal processing,and cognitive enhancement.AI-driven design paradigms dramatically shorten development time and enable the discovery of optimal sensor materials and structures.In signal processing,AI algorithms notably improve the ability to decouple complex sensory data,enabling robust,multimodal,super-resolution sensing.AI endows e-skin with advanced cognitive capabilities,allowing it to interpret intricate tactile information and intelligently respond to external environments.By underscoring the potential of AI throughout the entire development pipeline,this review aims to drive the creation of e-skin with minimal hardware and maximal cognition and thus achieve revolutionary breakthroughs in cutting-edge fields such as human-robot interactions,precise robot control,and soft robotics for environmental exploration.展开更多
Effects of alloying elements Ni,Co,Mn,Cr,and H on the stacking fault energy(SFE)ofγ-Fe and its microscopic mechanisms were systematically investigated.Generalized SFE calculations show that individual alloying elemen...Effects of alloying elements Ni,Co,Mn,Cr,and H on the stacking fault energy(SFE)ofγ-Fe and its microscopic mechanisms were systematically investigated.Generalized SFE calculations show that individual alloying elements Ni,Co,and H increase SFE ofγ-Fe,whereas Mn and Cr decrease SFE.The influence of alloying elements on SFE exhibits short-range characteristics.The effect of synergistic interaction of alloying elements and H on SFE was further investigated.Results show that the co-alloying of Ni/Co with H exacerbates the effect of H on the increase in SFE.In contrast,the synergistic effect of Mn/Cr with H tends to inhibit H from the increasing SFE.Finally,the electronic structure analysis elucidated the microscopic mechanism of the change in SFE.Alloying elements modulate SFE by changing the interatomic charge density at the stacking fault plane and the density of states of the stacking fault structure at the Fermi level.The present results add to the knowledge of alloying related influence on the mechanical property and hydrogen embrittlement ofγ-Fe.展开更多
Artificial intelligence(AI)is increasingly recognized as a transformative force in the field of solid organ transplantation.From enhancing donor-recipient matching to predicting clinical risks and tailoring immunosupp...Artificial intelligence(AI)is increasingly recognized as a transformative force in the field of solid organ transplantation.From enhancing donor-recipient matching to predicting clinical risks and tailoring immunosuppressive therapy,AI has the potential to improve both operational efficiency and patient outcomes.Despite these advancements,the perspectives of transplant professionals-those at the forefront of critical decision-making-remain insufficiently explored.To address this gap,this study utilizes a multi-round electronic Delphi approach to gather and analyses insights from global experts involved in organ transplantation.Participants are invited to complete structured surveys capturing demographic data,professional roles,institutional practices,and prior exposure to AI technologies.The survey also explores perceptions of AI’s potential benefits.Quantitative responses are analyzed using descriptive statistics,while open-ended qualitative responses undergo thematic analysis.Preliminary findings indicate a generally positive outlook on AI’s role in enhancing transplantation processes,particularly in areas such as donor matching and post-operative care.These mixed views reflect both optimism and caution among professionals tasked with integrating new technologies into high-stakes clinical workflows.By capturing a wide range of expert opinions,the findings will inform future policy development,regulatory considerations,and institutional readiness frameworks for the integration of AI into organ transplantation.展开更多
The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-ti...The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-time scenarios.This review begins with a concise overview of traditional tight-binding(TB)models,including both(semi-)empirical and first-principles approaches,establishing the foundation for understanding MLTB developments.We then present a systematic classification of existing MLTB methodologies,grouped into two major categories:direct prediction of TB Hamiltonian elements and inference of empirical parameters.A comparative analysis with other ML-based electronic structure models is also provided,highlighting the advancement of MLTB approaches.Finally,we explore the emerging MLTB application ecosystem,highlighting how the integration of MLTB models with a diverse suite of post-processing tools from linear-scaling solvers to quantum transport frameworks and molecular dynamics interfaces is essential for tackling complex scientific problems across different domains.The continued advancement of this integrated paradigm promises to accelerate materials discovery and open new frontiers in the predictive simulation of complex quantum phenomena.展开更多
Electrocatalytic nitrate-to-ammonia conversion offers dual environmental and sustainable synthesis benefits,but achieving high efficiency with low-cost catalysts remains a major challenge.This review focuses on cobalt...Electrocatalytic nitrate-to-ammonia conversion offers dual environmental and sustainable synthesis benefits,but achieving high efficiency with low-cost catalysts remains a major challenge.This review focuses on cobalt-based electrocatalysts,emphasizing their structural engineering for enhanced the performance of electrocatalytic nitrate reduction reaction(NO3RR)through dimensional control,compositional tuning,and coordination microenvironment modulation.Notably,by critically analyzing metallic cobalt,cobalt alloys,cobalt compounds,cobalt single atom and molecular catalyst configurations,we firstly establish correlations between atomic-scale structural features and catalytic performance in a coordination environment perspective for NO3RR,including the dynamic reconstruction during operation and its impact on active site.Synergizing experimental breakthroughs with computational modeling,we decode mechanisms underlying competitive hydrogen evolution suppression,intermediate adsorption-energy optimization,and durability enhancement in complex aqueous environments.The development of cobalt-based catalysts was summarized and prospected,and the emerging opportunities of machine learning in accelerating the research and development of high-performance catalysts and the configuration of series reactors for scalable nitrate-to-ammonia systems were also introduced.Bridging surface science and applications,it outlines a framework for designing multifunctional electrocatalysts to restore nitrogen cycle balance sustainably.展开更多
文摘Aims and scope Journal of Systems Engineering and Electronics,keeping abreast with the development trend of science and technology worldwide,reports the latest developments and achievements in both theoretical and practical aspects of systems engineering,electronics and related research areas.The journal welcomes high quality original papers from a wide range of countries.The scope of the journal includes systems engineering,military systems,electronic technology,defense electronic technology,control theory and practice,software algorithm and simulation,reliability,computer development and application,and other topics in all related fields.
基金supported by the National Natural Science Foundation of China (NSFC,Nos.12474274,92161101)the Innovation Project of Jinan Science and Technology Bureau (No.2021GXRC032)the Natural Science Foundation of Shandong Province (No.ZR2024MA091)。
文摘The Jellium closed-shell model,a cornerstone of cluster science,has long guided the design of superatoms by dictating electron-counting rules.However,its reliance on precise control of cluster composition and electron shell occupancy presents significant experimental challenges.Here,we introduce a ligation strategy that circumvents these limitations by demonstrating that the adiabatic electron affinity(AEA) of aluminum-based clusters,whether with filled or partially filled electron shells,can be dramatically enhanced through the attachment of organic Lewis acid ligands.It was evidenced that the AEA of PAl12can be significantly increased by 2.17 e V after the ligation of two ligands,indicating a remarkable improvement in its electron-accepting ability.This approach yields superhalogen species,offering a versatile and practical means to tune the electronic properties of clusters while preserving their superatomic states,independent of shell occupancy.Remarkably,this ligand-induced modulation is not confined to naked clusters but also extends to nano-confined systems,hinting at its broader applicability.Given the indispensable role of ligands in cluster synthesis,this strategy holds promise for advancing the field of condensed-phase superatom synthesis,potentially complementing traditional electron-counting rules in a broader range of applications.
文摘Aims ENGINEERING Information Technology&Electronic Engineering(EITEE),formerly known as Frontiers of Information Technology&Electronic Engineering(2015-2025)and Journal of Zhejiang University SCIENCE C(Computers&Electronics)(2010-2014),is a peer-reviewed scientific journal launched by the Chinese Academy of Engineering and Zhejiang University that aims to present the latest developments and achievements in information technology and electronic engineering to stimulate and promote academic exchanges between Chinese and foreign scientists.
基金supported by the introduction of Talent Research Fund in Nanjing Institute of Technology(YKJ202204)the National Natural Science Foundation of China(52401282 and 52300206)the Natural Science Foundation of Jiangsu Province(BK20230701 and BK20230705).
文摘Achieving high-energy density remains a key objective for advanced energy storage systems.However,challenges,such as poor cathode conductivity,anode dendrite formation,polysulfide shuttling,and electrolyte degradation,continue to limit performance and stability.Molecular and ionic dipole interactions have emerged as an effective strategy to address these issues by regulating ionic transport,modulating solvation structures,optimizing interfacial chemistry,and enhancing charge transfer kinetics.These interactions also stabilize electrode interfaces,suppress side reactions,and mitigate anode corrosion,collectively improving the durability of high-energy batteries.A deeper understanding of these mechanisms is essential to guide the design of next-generation battery materials.Herein,this review summarizes the development,classification,and advantages of dipole interactions in high-energy batteries.The roles of dipoles,including facilitating ion transport,controlling solvation dynamics,stabilizing the electric double layer,optimizing solid electrolyte interphase and cathode–electrolyte interface layers,and inhibiting parasitic reactions—are comprehensively discussed.Finally,perspectives on future research directions are proposed to advance dipole-enabled strategies for high-performance energy storage.This review aims to provide insights into the rational design of dipole-interactive systems and promote the progress of electrochemical energy storage technologies.
基金supported by the National Natural Science Foundation of China(No.22278156)the Guangdong Special Support Program Project(No.2021JC060580)+1 种基金the Young Elite Scientists Sponsorship Program by CAST-Doctoral Student Special Plan,the China Scholarship Council Program(No.202406150148)the Natural Science Foundation of Guangdong Province(No.2023A1515011186).
文摘Peroxymonosulfate(PMS)-based advanced oxidation processes(AOPs)are an effective way to remove emerging contaminants(ECs)from water.The catalytic process involving PMS is hindered by the suboptimal electron trans-fer efficiency of current catalysts,the further application of AOPs technology is limited.Here,it is proposed that the interfacial electric field can be controlled by bor(B)-doped FeNC catalysts,which shows significant advantages in the efficient generation,release and participation of reactive oxygen species(ROS)in the reaction.The super exchange interaction between Fe sites and N and B sites is realized through the directional transfer of electrons in the interfacial electric field,which ensures the high efficiency and stability of the PMS catalytic process.B doping increases the d orbitals distribution at Fermi level,which facilitates enhanced electron transition activity,thereby promoting the effective generation of (1)^O_(2).At the same time,orbital hybridization causes the center of the d band to move to a lower energy level,which not only contributes to the desorption process of (1)^O_(2),but also accelerates its release.In addition,B-doping also improved the adsorption capacity of organic pollutants and shortened the migration distance of ROS,thereby significantly improving the degradation efficiency of ECs.The B-doping strategy outlined offers a novel approach to the development of FeNC catalysts,it lays a theoretical foundation and offers technical insights for the integration of PMS/AOPs technology in the ECs management.
基金supported by the National Natural Science Foundation(52302284,22002086,22204096)Shanghai Sailing Program(23YF1412200)the Fundamental Research Funds for the Central Universities(22120240314).
文摘Single-atom catalysts(SACs)have garnered significant attention in lithium-sulfur(Li-S)batteries for their potential to mitigate the severe polysulfide shuttle effect and sluggish redox kinetics.However,the development of highly efficient SACs and a comprehensive understanding of their structure-activity relationships remain enormously challenging.Herein,a novel kind of Fe-based SAC featuring an asymmetric FeN_(5)-TeN_(4) coordination structure was precisely designed by introducing Te atom adjacent to the Fe active center to enhance the catalytic activity.Theoretical calculations reveal that the neighboring Te atom modulates the local coordination environment of the central Fe site,elevating the d-band center closer to the Fermi level and strengthening the d-p orbital hybridization between the catalyst and sulfur species,thereby immobilizing polysulfides and improving the bidirectional catalysis of Li-S redox.Consequently,the Fe-Te atom pair catalyst endows Li-S batteries with exceptional rate performance,achieving a high specific capacity of 735 mAh g^(−1) at 5 C,and remarkable cycling stability with a low decay rate of 0.038%per cycle over 1000 cycles at 1 C.This work provides fundamental insights into the electronic structure modulation of SACs and establishes a clear correlation between precisely engineered atomic configurations and their enhanced catalytic performance in Li-S electrochemistry.
文摘In alignment with the proposal of the Chinese Academy of En‐gineering(CAE)and its flagship journal Engineering,to promote the“ENGINEERING”brand of CAE journals,the journal Fron‐tiers of Information Technology&Electronic Engineering will be renamed ENGINEERING Information Technology&Electronic Engineering(abbreviated as EITEE)starting January 2026.This issue marks the inaugural use of the new name.
基金supported by the Research Project on Strengthening the Construction of an Important Ecological Security Barrier in Northern China by Higher Education Institutions in the Inner Mongolia Autonomous Region(STAQZX202313)the Inner Mongolia Autonomous Region Education Science‘14th Five-Year Plan’2024 Annual Research Project(NGJGH2024635).
文摘Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled thermomechanical fields remains insufficiently understood.In this study,transmission and scanning electron microscopy were employed to observe dislocation structures and grain boundary heterogeneities in processed aluminum alloys,suggesting stress concentrations and microstructural inhomogeneities associated with vacancy accumulation.To complement these observations,first-principles calculations and molecular dynamics simulations were conducted for seven single-vacancy configurations in face-centered cubic aluminum.The stress response,total energy,density of states(DOS),and differential charge density were examined under varying compressive strain(ε=0–0.1)and temperature(0–600 K).The results indicate that face-centered vacancies tend to reduce mechanical strength and perturb electronic states near the Fermi level,whereas corner and edge vacancies appear to have weaker effects.Elevated temperatures may partially restore electronic uniformity through thermal excitation.Overall,these findings suggest that vacancy position exerts a critical but position-dependent influence on coupled structure-property relationships,offering theoretical insights and preliminary experimental support for defect-engineered aluminum alloy design.
基金supported by the National Natural Science Foundation of China(52172170)Guangdong Natural Science Foundation for Distinguished Young Scholars(2023B1515020114)+2 种基金Fundamental Research Funds for the Central Universities(24lgqb003)Guangdong University Innovation and Enhancement Program(2024KTSCX003)Science and Technology Projects of Guangzhou(2025A04J4230).
文摘Stretchable electronics have been recognized as intriguing next-generation electronics that possess huge market value,and stretchable electronic conductors(SECs)are essential for stretchable electronics,which not only can serve as critical functional components but also are the indispensable electronic connections bridging various electronic components within stretchable electronic systems.Herein,we offer a comprehensive review of recent progress in SECs including the material categories,structure designs,fabrication techniques,and applications.The characteristics,performance enhancement strategies,and application requirements are emphasized.Based on the recent advances,the existing challenges and future prospects are outlined and discussed.
基金supported by the National Natural Science Foundation of China (Nos.82293682,82293684,and 82173703)。
文摘Owing to their intricate molecular frameworks and copious chiral centers,the structural identification and configurational assignment of natural products are challenging tasks.Comprehensive spectral data analysis is crucial for the confirmation of absolute configurations.Ignoring critical parameters will lead to false structure,which may confuse the total synthesis and drug development.Herein,the configurations of seven heterogeneous Pallavicinia diterpenoids(PDs) isolated from Pallavicinia liverworts are revised using a combination of single-crystal X-ray diffraction and electronic circular dichroism(ECD) calculations.Meanwhile,identification of five unprecedented PD heterodimers PD-dimers A-E(18-22) along with eleven previously undescribed PDs(5-9,13-17,23) obtained by the reinvestigation of the Chinese liverwort Pallavicinia subciliata have resulted in corrections and support the revised conclusions.
基金supported in part by the National Key R&D Program of China under Grant 2024YFB4405300 and 2022YFA1204300the Natural Science Foundation of Hunan Province under Grant 2023JJ20016+2 种基金the National Natural Science Foundation of China under Grants of 52221001 and 62090035the Key Research and Development Plan of Hunan Province under grants of 2022GK3002 and 2023GK2012the Key Program of Science and Technology Department of Hunan Province under grant of 2020XK2001。
文摘Permeable electronics promise improved physiological comfort,but remain constrained by limited functional integration and poor mechanical robustness.Here,we report a three-dimensional(3D)permeable electronic system that overcomes these challenges by combining electrospun SEBS nanofiber mats,high-resolution liquid metal conductors patterned via thermal imprinting(50μm),and a strain isolators(SIL)that protects vertical interconnects(VIAs)from stress concentration.This architecture achieves ultrahigh air permeability(>5.09 m L cm^(-2)min^(-1)),exceptional stretchability(750%fracture strain),and reliable conductivity maintained through more than 32,500 strain cycles.Leveraging these advances,we have integrated multilayer circuits,strain sensors,and a three-axis accelerometer to achieve a fully integrated,stretchable,permeable wireless real-time gesture recognition glove.The system enables accurate sign language interpretation(98%)and seamless robotic hand control,demonstrating its potential for assistive technologies.By uniting comfort,durability,and high-density integration,this work establishes a versatile platform for nextgeneration wearable electronics and interactive human-robot interfaces.
基金supported by the National Natural Science Foundation of China(Nos.92166105 and 52005053)High-Tech Industry Science and Technology Innovation Leading Program of Hunan Province(No.2020GK2085)the Science and Technology Innovation Program of Hunan Province(No.2021RC3096).
文摘(NbZrHfTi)C high-entropy ceramics,as an emerging class of ultra-high-temperature materials,have garnered significant interest due to their unique multi-principal-element crystal structure and exceptional hightemperature properties.This study systematically investigates the mechanical properties of(NbZrHfTi)C high-entropy ceramics by employing first-principles density functional theory,combined with the Debye-Grüneisen model,to explore the variations in their thermophysical properties with temperature(0–2000 K)and pressure(0–30 GPa).Thermodynamically,the calculated mixing enthalpy and Gibbs free energy confirm the feasibility of forming a stable single-phase solid solution in(NbZrHfTi)C.The calculated results of the elastic stiffness constant indicate that the material meets the mechanical stability criteria of the cubic crystal system,further confirming the structural stability.Through evaluation of key mechanical parameters—bulk modulus,shear modulus,Young’s modulus,and Poisson’s ratio—we provide comprehensive insight into the macro-mechanical behaviour of the material and its correlation with the underlying microstructure.Notably,compared to traditional binary carbides and their average properties,(NbZrHfTi)C exhibits higher Vickers hardness(Approximately 28.5 GPa)and fracture toughness(Approximately 3.4 MPa⋅m^(1/2)),which can be primarily attributed to the lattice distortion and solid-solution strengthening mechanism.The study also utilizes the quasi-harmonic approximation method to predict the material’s thermophysical properties,including Debye temperature(initial value around 563 K),thermal expansion coefficient(approximately 8.9×10^(−6) K−1 at 2000 K),and other key parameters such as heat capacity at constant volume.The results show that within the studied pressure and temperature ranges,(NbZrHfTi)C consistently maintains a stable phase structure and good thermomechanical properties.The thermal expansion coefficient increasing with temperature,while heat capacity approaches the Dulong-Petit limit at elevated temperatures.These findings underscore the potential of(NbZrHfTi)C applications in ultra-high temperature thermal protection systems,cutting tool coatings,and nuclear structural materials.
基金supported by the National Natural Science Foundation of China(No.52375031)the Dongfang Electric Corporation-Zhejiang University Joint Innovation Research Institutethe Bellwethers Research and Development Plan of Zhejiang Province(No.2023C01045)。
文摘Robotic electronic skin(e-skin)is inspired by human skin and endows robots with tactile perception,temperature detection,and environmental interaction capabilities.However,its development is hampered by prolonged design cycles,limited signal enhancement,and weak cognitive abilities.Given that the convergence of artificial intelligence(AI)with e-skin is fundamentally transforming this landscape,the present review highlights the pivotal contributions of AI across the entire development spectrum of robotic e-skin,including design optimization,signal processing,and cognitive enhancement.AI-driven design paradigms dramatically shorten development time and enable the discovery of optimal sensor materials and structures.In signal processing,AI algorithms notably improve the ability to decouple complex sensory data,enabling robust,multimodal,super-resolution sensing.AI endows e-skin with advanced cognitive capabilities,allowing it to interpret intricate tactile information and intelligently respond to external environments.By underscoring the potential of AI throughout the entire development pipeline,this review aims to drive the creation of e-skin with minimal hardware and maximal cognition and thus achieve revolutionary breakthroughs in cutting-edge fields such as human-robot interactions,precise robot control,and soft robotics for environmental exploration.
基金supported by National Science and Technology Major Project(2025ZD0618901)National Natural Science Foundation of China(U2241245 and 52321001)+2 种基金Aeronautical Science Foundation of China(2022Z053092001)Natural Science Foundation of Shenyang(23-503-6-05)Science and Technology Major Project of Liaoning Province(2024JH1/11700028).
文摘Effects of alloying elements Ni,Co,Mn,Cr,and H on the stacking fault energy(SFE)ofγ-Fe and its microscopic mechanisms were systematically investigated.Generalized SFE calculations show that individual alloying elements Ni,Co,and H increase SFE ofγ-Fe,whereas Mn and Cr decrease SFE.The influence of alloying elements on SFE exhibits short-range characteristics.The effect of synergistic interaction of alloying elements and H on SFE was further investigated.Results show that the co-alloying of Ni/Co with H exacerbates the effect of H on the increase in SFE.In contrast,the synergistic effect of Mn/Cr with H tends to inhibit H from the increasing SFE.Finally,the electronic structure analysis elucidated the microscopic mechanism of the change in SFE.Alloying elements modulate SFE by changing the interatomic charge density at the stacking fault plane and the density of states of the stacking fault structure at the Fermi level.The present results add to the knowledge of alloying related influence on the mechanical property and hydrogen embrittlement ofγ-Fe.
文摘Artificial intelligence(AI)is increasingly recognized as a transformative force in the field of solid organ transplantation.From enhancing donor-recipient matching to predicting clinical risks and tailoring immunosuppressive therapy,AI has the potential to improve both operational efficiency and patient outcomes.Despite these advancements,the perspectives of transplant professionals-those at the forefront of critical decision-making-remain insufficiently explored.To address this gap,this study utilizes a multi-round electronic Delphi approach to gather and analyses insights from global experts involved in organ transplantation.Participants are invited to complete structured surveys capturing demographic data,professional roles,institutional practices,and prior exposure to AI technologies.The survey also explores perceptions of AI’s potential benefits.Quantitative responses are analyzed using descriptive statistics,while open-ended qualitative responses undergo thematic analysis.Preliminary findings indicate a generally positive outlook on AI’s role in enhancing transplantation processes,particularly in areas such as donor matching and post-operative care.These mixed views reflect both optimism and caution among professionals tasked with integrating new technologies into high-stakes clinical workflows.By capturing a wide range of expert opinions,the findings will inform future policy development,regulatory considerations,and institutional readiness frameworks for the integration of AI into organ transplantation.
基金supported by the Advanced Materials-National Science and Technology Major Project(Grant No.2025ZD0618401)the National Natural Science Foundation of China(Grant No.12504285)+1 种基金the Natural Science Foundation of Jiangsu Province(Grant No.BK20250472)NFSG grant from BITS-Pilani,Dubai campus。
文摘The rapid advancement of machine learning based tight-binding Hamiltonian(MLTB)methods has opened new avenues for efficient and accurate electronic structure simulations,particularly in large-scale systems and long-time scenarios.This review begins with a concise overview of traditional tight-binding(TB)models,including both(semi-)empirical and first-principles approaches,establishing the foundation for understanding MLTB developments.We then present a systematic classification of existing MLTB methodologies,grouped into two major categories:direct prediction of TB Hamiltonian elements and inference of empirical parameters.A comparative analysis with other ML-based electronic structure models is also provided,highlighting the advancement of MLTB approaches.Finally,we explore the emerging MLTB application ecosystem,highlighting how the integration of MLTB models with a diverse suite of post-processing tools from linear-scaling solvers to quantum transport frameworks and molecular dynamics interfaces is essential for tackling complex scientific problems across different domains.The continued advancement of this integrated paradigm promises to accelerate materials discovery and open new frontiers in the predictive simulation of complex quantum phenomena.
基金supported by the National Natural Science Foundation of China(Grant Nos.:21825201,52401244 and 52201227)Henan Province Key Research and Development and Promotion Program(Scientific and Technological Breakthrough Project:232102240088 and 252102230078)+3 种基金the Key Research&Development and Promotion of Special Project(Scientific Problem Tackling)of Henan Province(252102230078)Doctoral Research Startup Fund Project of Henan Open University(BSJH-2025-04)Zhejiang Provincial Natural Science Foundation of China(LQ24B020005,LQ23B030001)China Postdoctoral Science Foundation(2024M762442).
文摘Electrocatalytic nitrate-to-ammonia conversion offers dual environmental and sustainable synthesis benefits,but achieving high efficiency with low-cost catalysts remains a major challenge.This review focuses on cobalt-based electrocatalysts,emphasizing their structural engineering for enhanced the performance of electrocatalytic nitrate reduction reaction(NO3RR)through dimensional control,compositional tuning,and coordination microenvironment modulation.Notably,by critically analyzing metallic cobalt,cobalt alloys,cobalt compounds,cobalt single atom and molecular catalyst configurations,we firstly establish correlations between atomic-scale structural features and catalytic performance in a coordination environment perspective for NO3RR,including the dynamic reconstruction during operation and its impact on active site.Synergizing experimental breakthroughs with computational modeling,we decode mechanisms underlying competitive hydrogen evolution suppression,intermediate adsorption-energy optimization,and durability enhancement in complex aqueous environments.The development of cobalt-based catalysts was summarized and prospected,and the emerging opportunities of machine learning in accelerating the research and development of high-performance catalysts and the configuration of series reactors for scalable nitrate-to-ammonia systems were also introduced.Bridging surface science and applications,it outlines a framework for designing multifunctional electrocatalysts to restore nitrogen cycle balance sustainably.
