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Robust and Biodegradable Heterogeneous Electronics with Customizable Cylindrical Architecture for Interference-Free Respiratory Rate Monitoring
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作者 Jing Zhang Wenqi Wang +9 位作者 Sanwei Hao Hongnan Zhu Chao Wang Zhouyang Hu Yaru Yu Fangqing Wang Peng Fu Changyou Shao Jun Yang Hailin Cong 《Nano-Micro Letters》 2026年第1期914-934,共21页
A rapidly growing field is piezoresistive sensor for accurate respiration rate monitoring to suppress the worldwide respiratory illness.However,a large neglected issue is the sensing durability and accuracy without in... A rapidly growing field is piezoresistive sensor for accurate respiration rate monitoring to suppress the worldwide respiratory illness.However,a large neglected issue is the sensing durability and accuracy without interference since the expiratory pressure always coupled with external humidity and temperature variations,as well as mechanical motion artifacts.Herein,a robust and biodegradable piezoresistive sensor is reported that consists of heterogeneous MXene/cellulose-gelation sensing layer and Ag-based interdigital electrode,featuring customizable cylindrical interface arrangement and compact hierarchical laminated architecture for collectively regulating the piezoresistive response and mechanical robustness,thereby realizing the long-term breath-induced pressure detection.Notably,molecular dynamics simulations reveal the frequent angle inversion and reorientation of MXene/cellulose in vacuum filtration,driven by shear forces and interfacial interactions,which facilitate the establishment of hydrogen bonds and optimize the architecture design in sensing layer.The resultant sensor delivers unprecedented collection features of superior stability for off-axis deformation(0-120°,~2.8×10^(-3) A)and sensing accuracy without crosstalk(humidity 50%-100%and temperature 30-80).Besides,the sensor-embedded mask together with machine learning models is achieved to train and classify the respiration status for volunteers with different ages(average prediction accuracy~90%).It is envisioned that the customizable architecture design and sensor paradigm will shed light on the advanced stability of sustainable electronics and pave the way for the commercial application in respiratory monitory. 展开更多
关键词 Wearable electronics Piezoresistive sensor HETEROGENEOUS CELLULOSE Respiratory monitoring
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Multifunctional Dipoles Enabling Enhanced Ionic and Electronic Transport for High‑Energy Batteries
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作者 Shihai Cao Yuntong Sun +4 位作者 Yinghao Li Ao Wang Wenyao Zhang Zhendong Hao Jong‑Min Lee 《Nano-Micro Letters》 2026年第3期685-724,共40页
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
关键词 High-energy batteries Electrochemical processes Ionic transport electronic migration DIPOLES
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On-Skin Epidermal Electronics for Next-Generation Health Management
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作者 Jinbin Xu Xiaoliang Chen +7 位作者 Sheng Li Yizhuo Luo Shizheng Deng Bo Yang Jian Lv Hongmiao Tian Xiangming Li Jinyou Shao 《Nano-Micro Letters》 2026年第1期609-646,共38页
Continuous monitoring of biosignals is essential for advancing early disease detection,personalized treatment,and health management.Flexible electronics,capable of accurately monitoring biosignals in daily life,have g... Continuous monitoring of biosignals is essential for advancing early disease detection,personalized treatment,and health management.Flexible electronics,capable of accurately monitoring biosignals in daily life,have garnered considerable attention due to their softness,conformability,and biocompatibility.However,several challenges remain,including imperfect skin-device interfaces,limited breathability,and insufficient mechanoelectrical stability.On-skin epidermal electronics,distinguished by their excellent conformability,breathability,and mechanoelectrical robustness,offer a promising solution for high-fidelity,long-term health monitoring.These devices can seamlessly integrate with the human body,leading to transformative advancements in future personalized healthcare.This review provides a systematic examination of recent advancements in on-skin epidermal electronics,with particular emphasis on critical aspects including material science,structural design,desired properties,and practical applications.We explore various materials,considering their properties and the corresponding structural designs developed to construct high-performance epidermal electronics.We then discuss different approaches for achieving the desired device properties necessary for long-term health monitoring,including adhesiveness,breathability,and mechanoelectrical stability.Additionally,we summarize the diverse applications of these devices in monitoring biophysical and physiological signals.Finally,we address the challenges facing these devices and outline future prospects,offering insights into the ongoing development of on-skin epidermal electronics for long-term health monitoring. 展开更多
关键词 On-skin epidermal electronics ADHESIVENESS Breathability Mechanoelectrical stability Long-term biosignal monitoring
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Dynamic Network‑and Microcellular Architecture‑Driven Biomass Elastomer toward Sustainable and Versatile Soft Electronics
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作者 Shanqiu Liu Yi Shen +5 位作者 Yizhen Li Yunjie Mo Enze Yu Taotao Ge Ping Li Jingguo Li 《Nano-Micro Letters》 2026年第3期368-387,共20页
Conductive elastomers combining micromechanical sensitivity,lightweight adaptability,and environmental sustainability are critically needed for advanced flexible electronics requiring precise responsiveness and long-t... Conductive elastomers combining micromechanical sensitivity,lightweight adaptability,and environmental sustainability are critically needed for advanced flexible electronics requiring precise responsiveness and long-term wearability;however,the integration of these properties remains a significant challenge.Here,we present a biomass-derived conductive elastomer featuring a rationally engineered dynamic crosslinked network integrated with a tunable microporous architecture.This structural design imparts pronounced micromechanical sensitivity,an ultralow density(~0.25 g cm^(−3)),and superior mechanical compliance for adaptive deformation.Moreover,the unique micro-spring effect derived from the porous architecture ensures exceptional stretchability(>500%elongation at break)and superior resilience,delivering immediate and stable electrical response under both subtle(<1%)and large(>200%)mechanical stimuli.Intrinsic dynamic interactions endow the elastomer with efficient room temperature self-healing and complete recyclability without compromising performance.First-principles simulations clarify the mechanisms behind micropore formation and the resulting functionality.Beyond its facile and mild fabrication process,this work establishes a scalable route toward high-performance,sustainable conductive elastomers tailored for next-generation soft electronics. 展开更多
关键词 Bio-based conductive elastomers Dynamic covalent chemistry Micromechanical sensitivity Soft electronics
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Quantum-Size FeS_(2) with Delocalized Electronic Regions Enable High-Performance Sodium-Ion Batteries Across Wide Temperatures
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作者 Tianlin Li Danyang Zhao +8 位作者 Meiyu Shi Chao Tian Jie Yi Qing Yin Yongzhi Li Bin Xiao Jiqiu Qi Peng Cao Yanwei Sui 《Nano-Micro Letters》 2026年第1期355-374,共20页
Wide-temperature applications of sodium-ion batteries(SIBs)are severely limited by the sluggish ion insertion/diffusion kinetics of conversion-type anodes.Quantum-sized transition metal dichalcogenides possess unique ... Wide-temperature applications of sodium-ion batteries(SIBs)are severely limited by the sluggish ion insertion/diffusion kinetics of conversion-type anodes.Quantum-sized transition metal dichalcogenides possess unique advantages of charge delocalization and enrich uncoordinated electrons and short-range transfer kinetics,which are crucial to achieve rapid low-temperature charge transfer and high-temperature interface stability.Herein,a quantum-scale FeS_(2) loaded on three-dimensional Ti_(3)C_(2) MXene skeletons(FeS_(2) QD/MXene)fabricated as SIBs anode,demonstrating impressive performance under wide-temperature conditions(−35 to 65).The theoretical calculations combined with experimental characterization interprets that the unsaturated coordination edges of FeS_(2) QD can induce delocalized electronic regions,which reduces electrostatic potential and significantly facilitates efficient Na+diffusion across a broad temperature range.Moreover,the Ti_(3)C_(2) skeleton reinforces structural integrity via Fe-O-Ti bonding,while enabling excellent dispersion of FeS_(2) QD.As expected,FeS_(2) QD/MXene anode harvests capacities of 255.2 and 424.9 mAh g^(−1) at 0.1 A g^(−1) under−35 and 65,and the energy density of FeS_(2) QD/MXene//NVP full cell can reach to 162.4 Wh kg^(−1) at−35,highlighting its practical potential for wide-temperatures conditions.This work extends the uncoordinated regions induced by quantum-size effects for exceptional Na^(+)ion storage and diffusion performance at wide-temperatures environment. 展开更多
关键词 Quantum-size effect electron delocalization Efficient short-range transfer kinetics Wide-temperature Sodium-ion batteries
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Coupled Effects of Single-Vacancy Defect Positions on the Mechanical Properties and Electronic Structure of Aluminum Crystals
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作者 Binchang Ma Xinhai Yu Gang Huang 《Computers, Materials & Continua》 2026年第1期332-352,共21页
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
关键词 Aluminum crystal vacancy defect microstructural characterization stress response electronic structure thermomechanical coupling
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Protocol for a global electronic Delphi on integrating artificial intelligence into solid organ transplantation
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作者 Rowan Abuyadek Sara A Ghitani +6 位作者 Ramy Shaaban Muhammad AbdelAziz Quoritem Mohammed S Foula Rodaina Osama Abdel Majid Manar Mokhtar Yasir Ahmed Mohammed Elhadi Amr Alnagar 《World Journal of Transplantation》 2026年第1期9-16,共8页
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
关键词 Artificial intelligence Solid organ transplantation electronic Delphi Expert consensus Donor matching Digital health
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Electronically Conductive Metal−Organic Framework With Photoelectric and Photothermal Effect as a Stable Cathode for High-Temperature Photo-Assisted Zn/Sn-Air Battery
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作者 Jiangchang Chen Chuntao Yang +2 位作者 Yao Dong Ya Han Yingjian 《Carbon Energy》 2026年第1期105-114,共10页
Rechargeable Zn/Sn-air batteries have received considerable attention as promising energy storage devices.However,the electrochemical performance of these batteries is significantly constrained by the sluggish electro... Rechargeable Zn/Sn-air batteries have received considerable attention as promising energy storage devices.However,the electrochemical performance of these batteries is significantly constrained by the sluggish electrocatalytic reaction kinetics at the cathode.The integration of light energy into Zn/Sn-air batteries is a promising strategy for enhancing their performance.However,the photothermal and photoelectric effects generate heat in the battery under prolonged solar irradiation,leading to air cathode instability.This paper presents the first design and synthesis of Ni_(2)-1,5-diamino-4,8-dihydroxyanthraquinone(Ni_(2)DDA),an electronically conductiveπ-d conjugated metal-organic framework(MOF).Ni_(2)DDA exhibits both photoelectric and photothermal effects,with an optical band gap of~1.14 eV.Under illumination,Ni_(2)DDA achieves excellent oxygen evolution reaction performance(with an overpotential of 245 mV vs.reversible hydrogen electrode at 10 mA cm^(−2))and photothermal stability.These properties result from the synergy between the photoelectric and photothermal effects of Ni_(2)DDA.Upon integration into Zn/Sn-air batteries,Ni_(2)DDA ensures excellent cycling stability under light and exhibits remarkable performance in high-temperature environments up to 80℃.This study experimentally confirms the stable operation of photo-assisted Zn/Sn-air batteries under high-temperature conditions for the first time and provides novel insights into the application of electronically conductive MOFs in photoelectrocatalysis and photothermal catalysis. 展开更多
关键词 electronically conductive MOFs high temperatures photo-assisted Zn/Sn-air batteries photoelectric effects photothermal effects
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Random State Approach to Quantum Computation of Electronic-Structure Properties
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作者 Yiran Bai Feng Xiong Xueheng Kuang 《Chinese Physics Letters》 2026年第1期89-104,共16页
Classical computation of electronic properties in large-scale materials remains challenging.Quantum computation has the potential to offer advantages in memory footprint and computational scaling.However,general and v... Classical computation of electronic properties in large-scale materials remains challenging.Quantum computation has the potential to offer advantages in memory footprint and computational scaling.However,general and viable quantum algorithms for simulating large-scale materials are still limited.We propose and implement random-state quantum algorithms to calculate electronic-structure properties of real materials.Using a random state circuit on a small number of qubits,we employ real-time evolution with first-order Trotter decomposition and Hadamard test to obtain electronic density of states,and we develop a modified quantum phase estimation algorithm to calculate real-space local density of states via direct quantum measurements.Furthermore,we validate these algorithms by numerically computing the density of states and spatial distributions of electronic states in graphene,twisted bilayer graphene quasicrystals,and fractal lattices,covering system sizes from hundreds to thousands of atoms.Our results manifest that the random-state quantum algorithms provide a general and qubit-efficient route to scalable simulations of electronic properties in large-scale periodic and aperiodic materials. 展开更多
关键词 periodic materials random state circuit random state quantum algorithms electronic structure properties density states aperiodic materials quantum algorithms quantum computation
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Se-doping strategy regulating mass transfer and electronic structure of Fe-N-C electrocatalysts for proton exchange membrane fuel cells
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作者 Xu Lin Danyang Li +5 位作者 Shiqing Huang Panpan Sun Yan Huang Shitao Wang Lirong Zheng Dapeng Cao 《Chinese Journal of Catalysis》 2025年第8期73-83,共11页
The limited activity of atomically-dispersed M-N-C electrocatalysts severely restricts their applicability in the oxygen reduction reaction(ORR)for proton exchange membrane fuel cells(PEMFC).Herein,we design and synth... The limited activity of atomically-dispersed M-N-C electrocatalysts severely restricts their applicability in the oxygen reduction reaction(ORR)for proton exchange membrane fuel cells(PEMFC).Herein,we design and synthesize Se-doped Fe-N-C hierarchical porous electrocatalyst(FeN_(4)/SeC_(2))by optimizing carbon structure and FeN_(4)coordination environment.The FeN_(4)/SeC_(2)electrocatalyst exhibits outstanding ORR activity in 0.1 mol L^(-1)HClO_(4),and the resulting PEMFC presents a peak power density of 1.20 W cm^(-2)in H_(2)-O_(2)condition at a back pressure of 200 kPa,ranking in the top levels among most reported non-precious metal catalyst-based fuel cells.The lower O_(2)transfer resistance of FeN_(4)/SeC_(2)-based membrane electrode assembly than FeN_(4)-based one means faster O_(2)transport in triple-phase boundary(TPB),and Density functional theory calculation further reveals that the synergistic catalysis between porous SeC_(2)and FeN_(4)-OH species can efficiently lower the energy barriers for the rate-determining step of the ORR.In short,the outstanding performance of FeN_(4)/SeC_(2)in PEMFC is ascribed to the Se-doping,which introduces more defects and larger mesoporosity and therefore facilitates ionomer infiltration and O_(2)transfer and charge transfer in TPB.The effective strategy of enhancing mass and charge transfers in TPB is anticipated to be applicable in the construction of highly efficient ORR electrocatalysts. 展开更多
关键词 Se-doping Synergistic catalysis Enhancing mass transfer Oxygen reduction proton exchange membrane fuel cells
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Boosting high-performance in Zr-rich side protonic solid oxide electrolysis cells by optimizing functional interlayer 被引量:1
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作者 Chunmei Tang Ning Wang +3 位作者 Sho Kitano Hiroki Habazaki Yoshitaka Aoki Siyu Ye 《Green Energy & Environment》 SCIE EI CAS 2025年第1期150-160,共11页
Protonic solid oxide electrolysis cells(P-SOECs)are a promising technology for water electrolysis to produce green hydrogen.However,there are still challenges related key materials and anode/electrolyte interface.P-SO... Protonic solid oxide electrolysis cells(P-SOECs)are a promising technology for water electrolysis to produce green hydrogen.However,there are still challenges related key materials and anode/electrolyte interface.P-SOECs with Zr-rich electrolyte,called Zr-rich side P-SOECs,possess high thermodynamically stability under high steam concentrations but the large reaction resistances and the current leakage,thus the inferior performances.In this study,an efficient functional interlayer Ba_(0.95)La_(0.05)Fe_(0.8)Zn_(0.2)O_(3-δ)(BLFZ)in-between the anode and the electrolyte is developed.The electrochemical performances of P-SOECs are greatly enhanced because the BLFZ can greatly increase the interface contact,boost anode reaction kinetics,and increase proton injection into electrolyte.As a result,the P-SOEC yields high current density of 0.83 A cm^(-2) at 600℃ in 1.3 Vamong all the reported Zr-rich side cells.This work not only offers an efficient functional interlayer for P-SOECs but also holds the potential to achieve P-SOECs with high performances and long-term stability. 展开更多
关键词 Functional interlayer Zr-rich side electrolyte protonic solid oxide electrolysis cells Current density Faradaic efficiency
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Structural, electronic, and optical studies of chalcogenides stannite Cu_(2)CdSnX_(4)(X=S, Se, and Te): insights from the DFT study 被引量:1
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作者 Jamal GUERROUM Mohamed AL-HATTAB +3 位作者 Lhoucine MOUDOU Khalid RAHMANI Youssef LACHTIOUI Omar BAJJOU 《Optoelectronics Letters》 2025年第2期69-76,共8页
In this paper,we have calculated the structural,electronic,and optical properties of chalcogenide stannite Cu_(2)CdSnX4(X=S,Se,Te) materials.The calculations are based on the density functional theory (DFT) method and... In this paper,we have calculated the structural,electronic,and optical properties of chalcogenide stannite Cu_(2)CdSnX4(X=S,Se,Te) materials.The calculations are based on the density functional theory (DFT) method and are performed using the Cambridge sequential total energy package (CASTEP) code included in the Biovia Material Studio 20 software.All optical properties have been studied in a domain that extends energetically from 10 meV to 40 eV.Our results show that Cu_(2)CdSnX4(X=S,Se,Te) stannite exhibits absorption in the visible region,the refractive index decreases with increasing energy,and the refractive index values are n=3.2,3.73 and 3.75 for Cu_(2)CdSnS_(4),Cu_(2)CdSnSe_(4)and Cu_(2)CdSnTe_(4),respectively.They show also high conductivity,which implies that this material is promising for solar cells.These results argue in favor of the use of these materials in various potential applications.The density of state,band structures,and structural properties of Cu_(2)CdSnX4(X=S,Se,and Te) stannite are also studied in this work. 展开更多
关键词 materials electronic refractive
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Bioelectronic medicine in modulation of cortical spreading depolarization and beyond
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作者 Khaled Alok Timothy G.White Chunyan Li 《Neural Regeneration Research》 SCIE CAS 2025年第2期481-482,共2页
Bioelectronic interventions,specifically trigeminal nerve st imulat ion(TNS),have attracted considerable attention in conditions where cortical spreading depolarizations(CSDs)accompanied by compromised cerebral perfus... Bioelectronic interventions,specifically trigeminal nerve st imulat ion(TNS),have attracted considerable attention in conditions where cortical spreading depolarizations(CSDs)accompanied by compromised cerebral perfusion may exacerbate neurological damage.While pharmacological interventions have demonstrated initial potential in addressing CSDs,a standardized treatment approach has not yet been established.The objective of this perspective is to explore emerging bioelectronic methodologies for addressing CSDs,particularly emphasizing TNS,and to underscore TNS’s capacity to enhance neurovascular coupling and cerebral perfusion. 展开更多
关键词 CEREBRAL PERFUSION electronic
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Transformation of discarded biomass into value-added flexible electronic materials 被引量:1
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作者 Sijia Bao Xuenan Yang +2 位作者 Ziqi Yu Yuanbo Shi Yuan Lu 《Green Energy & Environment》 2025年第3期452-470,共19页
The development of electronic products and increased electronic waste have triggered a series of ecological problems on Earth.Meanwhile,amidst energy crises and the pursuit of carbon neutrality,the recycling of discar... The development of electronic products and increased electronic waste have triggered a series of ecological problems on Earth.Meanwhile,amidst energy crises and the pursuit of carbon neutrality,the recycling of discarded biomass has attracted the attention of many researchers.In recent years,the transformation of discarded biomass into value-added electronic products has emerged as a promising endeavor in the field of green and flexible electronics.In this review,the attempts and advancements in biomass conversion into flexible electronic materials and devices are systematically summarized.We focus on reviewing the research progress in biomass conversion into substrates,electrodes,and materials tailored for optical and thermal management.Furthermore,we explore component combinations suitable for applications in environmental monitoring and health management.Finally,we discuss the challenges in techniques and cost-effectiveness currently faced by biomass conversion into flexible electronic devices and propose improvement strategies.Drawing insights from both fundamental research and industrial applications,we offer prospects for future developments in this burgeoning field. 展开更多
关键词 Biomass conversion Flexible electronics Green process Sustainable development
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Two-temperature warm dense hydrogen as a test of quantum protons driven by orbital-free density functional theory electronic forces 被引量:2
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作者 Dongdong Kang Kai Luo +1 位作者 Keith Runge S.B.Trickey 《Matter and Radiation at Extremes》 SCIE CAS 2020年第6期48-59,共12页
We consider a steady-state(but transient)situation in which a warm dense aggregate is a two-temperature system with equilibrium electrons at temperature T_(e),ions at T_(i),and T_(e)≠T_(i).Such states are achievable ... We consider a steady-state(but transient)situation in which a warm dense aggregate is a two-temperature system with equilibrium electrons at temperature T_(e),ions at T_(i),and T_(e)≠T_(i).Such states are achievable by pump–probe experiments.For warm dense hydrogen in such a twotemperature situation,we investigate nuclear quantum effects(NQEs)on structure and thermodynamic properties,thereby delineating the limitations of ordinary ab initio molecular dynamics.We use path integral molecular dynamics(PIMD)simulations driven by orbital-free density functional theory(OFDFT)calculations with state-of-the-art noninteracting free-energy and exchange-correlation functionals for the explicit temperature dependence.We calibrate the OFDFT calculations against conventional(explicit orbitals)Kohn–Sham DFT.We find that when the ratio of the ionic thermal de Broglie wavelength to the mean interionic distance is larger than about 0.30,the ionic radial distribution function is meaningfully affected by the inclusion of NQEs.Moreover,NQEs induce a substantial increase in both the ionic and electronic pressures.This confirms the importance of NQEs for highly accurate equation-of-state data on highly driven hydrogen.For Te>20 kK,increasing Te in the warm dense hydrogen has slight effects on the ionic radial distribution function and equation of state in the range of densities considered.In addition,we confirm that compared with thermostatted ring-polymer molecular dynamics,the primitive PIMD algorithm overestimates electronic pressures,a consequence of the overly localized ionic description from the primitive scheme. 展开更多
关键词 ORBITAL QUANTUM electronic
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Failure mechanisms of electronic detonators subjected to high impact loading in rock drilling and blasting 被引量:2
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作者 Zhendong Leng Yong Fan +2 位作者 Wenbo Lu Qidong Gao Guangdong Yang 《International Journal of Coal Science & Technology》 2025年第1期214-227,共14页
In rock drilling and blasting,the misfire of electronic detonators will not only affect the rock fragmentation result but also bring serious potential safety hazards to engineering construction.An accurate and compreh... In rock drilling and blasting,the misfire of electronic detonators will not only affect the rock fragmentation result but also bring serious potential safety hazards to engineering construction.An accurate and comprehensive understanding of the failure mechanisms of electronic detonators subjected to impact loading is of great significance to the reliability design and field safety use of electronic detonators.The spatial distribution characteristics and failure modes of misfired electronic detonators under different application scenarios are statistically analysed.The results show that under high impact loads,electronic detonators will experience failure phenomena such as rupture of the fuse head,fracture of the bridge wire,falling off of the solder joint,chip module damage and insufficient initiation energy after deformation.The lack of impact resistance is the primary cause of misfire of electronic detonators.Combined with the underwater impact resistance test and the impact load test in the adjacent blasthole on site,the formulas of the impact failure probability of the electronic detonator under different stress‒strength distribution curves are deduced.The test and evaluation method of the impact resistance of electronic detonators based on stress‒strength interference theory is proposed.Furthermore,the impact failure model of electronic detonators considering the strength degradation effect under repeated random loads is established.On this basis,the failure mechanism of electronic detonators under different application environments,such as open-pit blasting and underground blasting,is revealed,which provides scientific theory and methods for the reliability analysis,design and type selection of electronic detonators in rock drilling and blasting. 展开更多
关键词 Rock blasting electronic detonator Impact loading Stress‒strength interference theory Strength degradation effect
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Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion
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作者 Wei Ma Jiahao Yao +6 位作者 Fang Xie Xinqi Wang Hao Wan Xiangjian Shen Lili Zhang Menggai Jiao Zhen Zhou 《Green Energy & Environment》 SCIE EI CAS 2025年第1期109-131,共23页
Point defect engineering endows catalysts with novel physical and chemical properties,elevating their electrocatalytic efficiency.The introduction of defects emerges as a promising strategy,effectively modifying the e... Point defect engineering endows catalysts with novel physical and chemical properties,elevating their electrocatalytic efficiency.The introduction of defects emerges as a promising strategy,effectively modifying the electronic structure of active sites.This optimization influences the adsorption energy of intermediates,thereby mitigating reaction energy barriers,altering paths,enhancing selectivity,and ultimately improving the catalytic efficiency of electrocatalysts.To elucidate the impact of defects on the electrocatalytic process,we comprehensively outline the roles of various point defects,their synthetic methodologies,and characterization techniques.Importantly,we consolidate insights into the relationship between point defects and catalytic activity for hydrogen/oxygen evolution and CO_(2)/O_(2)/N_(2) reduction reactions by integrating mechanisms from diverse reactions.This underscores the pivotal role of point defects in enhancing catalytic performance.At last,the principal challenges and prospects associated with point defects in current electrocatalysts are proposed,emphasizing their role in advancing the efficiency of electrochemical energy storage and conversion materials. 展开更多
关键词 Point defect engineering DOPING VACANCY ELECTROCATALYSIS electronic structure
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