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From Wave Energy to Electricity:Functional Design and Performance Analysis of Triboelectric Nanogenerators
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作者 Ying Lou Mengfan Li +2 位作者 Aifang Yu Junyi Zhai Zhong Lin Wang 《Nano-Micro Letters》 2025年第12期33-73,共41页
Triboelectric nanogenerators(TENGs)offer a selfsustaining power solution for marine regions abundant in resources but constrained by energy availability.Since their pioneering use in wave energy harvesting in 2014,nea... Triboelectric nanogenerators(TENGs)offer a selfsustaining power solution for marine regions abundant in resources but constrained by energy availability.Since their pioneering use in wave energy harvesting in 2014,nearly a decade of advancements has yielded nearly thousands of research articles in this domain.Researchers have developed various TENG device structures with diverse functionalities to facilitate their commercial deployment.Nonetheless,there is a gap in comprehensive summaries and performance evaluations of TENG structural designs.This paper delineates six innovative structural designs,focusing on enhancing internal device output and adapting to external environments:high space utilization,hybrid generator,mechanical gain,broadband response,multi-directional operation,and hybrid energy-harvesting systems.We summarize the prevailing trends in device structure design identified by the research community.Furthermore,we conduct a meticulous comparison of the electrical performance of these devices under motorized,simulated wave,and real marine conditions,while also assessing their sustainability in terms of device durability and mechanical robustness.In conclusion,the paper outlines future research avenues and discusses the obstacles encountered in the TENG field.This review aims to offer valuable perspectives for ongoing research and to advance the progress and application of TENG technology. 展开更多
关键词 Triboelectric nanogenerator functional design Blue energy Electrical performance Sustainability analysis
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Energy flow control of nanofluid-based direct absorption solar collectors with functional optical coatings for efficient solar harvesting
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作者 XU Bing ZENG Rui-jing +1 位作者 ZHENG Nian-ben SUN Zhi-qiang 《Journal of Central South University》 2025年第8期3124-3135,共12页
The nanofluid-based direct absorption solar collector(NDASC)ensures that solar radiation passing through the tube wall is directly absorbed by the nanofluid,reducing thermal resistance in the energy transfer process.H... The nanofluid-based direct absorption solar collector(NDASC)ensures that solar radiation passing through the tube wall is directly absorbed by the nanofluid,reducing thermal resistance in the energy transfer process.However,further exploration is required to suppress the outward thermal losses from the nanofluid at high temperatures.Herein,this paper proposes a novel NDASC in which the outer surface of the collector tube is covered with functional coatings and a three-dimensional computational fluid dynamics model is established to study the energy flow distributions on the collector within the temperature range of 400-600 K.When the nanofluid’s absorption coefficient reaches 80 m^(-1),the NDASC shows the optimal thermal performance,and the NDASC with local Sn-In_(2)O_(3) coating achieves a 7.8% improvement in thermal efficiency at 400 K compared to the original NDASC.Furthermore,hybrid coatings with Sn In_(2)O_(3)/WTi-Al_(2)O_(3) are explored,and the optimal coverage angles are determined.The NDASC with such coatings shows a 10.22%-17.9% increase in thermal efficiency compared to the original NDASC and a 7.6%-19.5% increase compared to the traditional surface-type solar collectors,demonstrating the effectiveness of the proposed energy flow control strategy for DASCs. 展开更多
关键词 direct absorption solar collector NANOFLUID functional optical coatings energy flow control
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Vibration energy harvesting of a three-directional functionally graded pipe conveying fluids
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作者 Tianchi YU Feng LIANG Hualin YANG 《Applied Mathematics and Mechanics(English Edition)》 2025年第5期795-812,共18页
This paper proposes a novel three-directional functionally graded(3D FG)vibration energy harvesting model based on a bimorph pipe structure.A rectangular pipe has material properties that vary continuously along the a... This paper proposes a novel three-directional functionally graded(3D FG)vibration energy harvesting model based on a bimorph pipe structure.A rectangular pipe has material properties that vary continuously along the axial,width,and height directions,and a steady fluid flows inside the pipe.Two piezoelectric layers are attached to the upper and lower surfaces of the pipe,and are connected in series with a load resistance.The output electricity is predicted theoretically and validated by finite element(FE) simulation.The complex mechanisms regulating the energy harvesting performance are investigated,focusing particularly on the effects of 3D FG material(FGM) parameters,load resistance,fluid-structure interaction(FSI),and geometry.Numerical results indicate that among several material gradient parameters,the axial gradient index has the most significant impact.Increasing the axial and height gradient indices can markedly enhance the energy harvesting performance.The optimal resistances differ between the first two modes.Overall,the maximum power is generated at lower resistances.The FSI effect can also improve the energy harvesting performance;however,higher flow velocities may destabilize the system,causing failure of harvesting energy.This research is capable of providing new insights into the design of a pipe energy harvester in engineering applications. 展开更多
关键词 vibration energy harvesting three-directional functionally graded material(3D FGM) fluid-conveying pipe fluid-structure interaction(FSI) electro-mechanical coupling
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Aerial-ground collaborative delivery route planning with UAV energy function and multi-delivery
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作者 GUO Jingfeng SONG Rui HE Shiwei 《Journal of Systems Engineering and Electronics》 2025年第2期446-461,共16页
With the rapid development of low-altitude economy and unmanned aerial vehicles (UAVs) deployment technology, aerial-ground collaborative delivery (AGCD) is emerging as a novel mode of last-mile delivery, where the ve... With the rapid development of low-altitude economy and unmanned aerial vehicles (UAVs) deployment technology, aerial-ground collaborative delivery (AGCD) is emerging as a novel mode of last-mile delivery, where the vehicle and its onboard UAVs are utilized efficiently. Vehicles not only provide delivery services to customers but also function as mobile ware-houses and launch/recovery platforms for UAVs. This paper addresses the vehicle routing problem with UAVs considering time window and UAV multi-delivery (VRPU-TW&MD). A mixed integer linear programming (MILP) model is developed to mini-mize delivery costs while incorporating constraints related to UAV energy consumption. Subsequently, a micro-evolution aug-mented large neighborhood search (MEALNS) algorithm incor-porating adaptive large neighborhood search (ALNS) and micro-evolution mechanism is proposed. Numerical experiments demonstrate the effectiveness of both the model and algorithm in solving the VRPU-TW&MD. The impact of key parameters on delivery performance is explored by sensitivity analysis. 展开更多
关键词 aerial-ground collaborative delivery(AGCD) route planning unmanned aerial vehicle(UAV)energy function UAV multi-delivery micro-evolution adaptive large neighborhood search.
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Vehicle and onboard UAV collaborative delivery route planning:considering energy function with wind and payload
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作者 GUO Jingfeng SONG Rui HE Shiwei 《Journal of Systems Engineering and Electronics》 2025年第1期194-208,共15页
The rapid evolution of unmanned aerial vehicle(UAV)technology and autonomous capabilities has positioned UAV as promising last-mile delivery means.Vehicle and onboard UAV collaborative delivery is introduced as a nove... The rapid evolution of unmanned aerial vehicle(UAV)technology and autonomous capabilities has positioned UAV as promising last-mile delivery means.Vehicle and onboard UAV collaborative delivery is introduced as a novel delivery mode.Spatiotemporal collaboration,along with energy consumption with payload and wind conditions play important roles in delivery route planning.This paper introduces the traveling salesman problem with time window and onboard UAV(TSPTWOUAV)and emphasizes the consideration of real-world scenarios,focusing on time collaboration and energy consumption with wind and payload.To address this,a mixed integer linear programming(MILP)model is formulated to minimize the energy consumption costs of vehicle and UAV.Furthermore,an adaptive large neighborhood search(ALNS)algorithm is applied to identify high-quality solutions efficiently.The effectiveness of the proposed model and algorithm is validated through numerical tests on real geographic instances and sensitivity analysis of key parameters is conducted. 展开更多
关键词 vehicle and onboard unmanned aerial vehicle(UAV)collaborative delivery energy consumption function route planning mixed integer linear programming model adaptive large neighborhood search(ALNS)algorithm
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Electrospinning-derived functional carbon-based materials for energy conversion and storage 被引量:2
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作者 Xinyu Ren Hong Liu +1 位作者 Jingang Wang Jiayuan Yu 《Chinese Chemical Letters》 SCIE CAS CSCD 2024年第6期3-13,共11页
The over-exploitation of fossil fuel energy has brought about serious environmental problems.It would be of great significance to construct efficient energy conversion and storage system to maximize utilize renewable ... The over-exploitation of fossil fuel energy has brought about serious environmental problems.It would be of great significance to construct efficient energy conversion and storage system to maximize utilize renewable energy,which contributes to reducing environmental hazards.For the past few years,in terms of electrocatalysis and energy storage,carbon fiber materials show great advantages due to its outstanding electrical conductivity,good flexibility and mechanical property.As a simple and low-cost technique,electrospinning can be employed to prepare various nanofibers.It is noted that the functional fiber materials with different special structure and composition can be obtained for energy conversion and storage by combining electrospinning with other post-processing.In this paper,the structural design,controllable synthesis and multifunctional applications of electrospinning-derived functional carbon-based materials(EFCMs)is reviewed.Firstly,we briefly introduce the history,basic principle and typical equipment of electrospinning.Then we discuss the strategies for preparing EFCMs with different structures and composition in detail.In addition,we show recently the application of advanced EFCMs in energy conversion and storage,such as nitrogen species reduction reaction,CO_(2) reduction reaction,oxygen reduction reaction,water-splitting,supercapacitors and ion batteries.In the end,we propose some perspectives on the future development direction of EFCMs. 展开更多
关键词 ELECTROSPINNING Carbon materials functional fiber energy conversion energy storage ELECTROCATALYSIS
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Correlation of work function and stacking fault energy through Kelvin probe force microscopy and nanohardness in diluteα-magnesium 被引量:1
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作者 Yigit Türe Ali Arslan Kaya +2 位作者 Hüseyin Aydin Jiang Peng Servet Turan 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第1期237-250,共14页
Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba systems.This investigation incorporated the difference in the‘Work ... Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba systems.This investigation incorporated the difference in the‘Work Function'(ΔWF)measured via Kelvin Probe Force Microscopy(KPFM),as a property directly affected by interatomic bond types,i.e.the electronic structure,nanoindentation measurements,and Stacking Fault Energy values reported in the literature.It was shown that the nano-hardness of the solid-solutionα-Mg phase changed in the order of Mg-Ca>Mg-Sr>Mg-Ba.Thus,it was shown,by also considering the nano-hardness levels,that SFE of a solid-solution is closely correlated with its‘Work Function'level.Nano-hardness measurements on the eutectics andΔWF difference between eutectic phases enabled an assessment of the relative bond strength and the pertinent electronic structures of the eutectics in the three alloys.Correlation withΔWF and at least qualitative verification of those computed SFE values with some experimental measurement techniques were considered important as those computational methods are based on zero Kelvin degree,relatively simple atomic models and a number of assumptions.As asserted by this investigation,if the results of measurement techniques can be qualitatively correlated with those of the computational methods,it can be possible to evaluate the electronic structures in alloys,starting from binary systems,going to ternary and then multi-elemental systems.Our investigation has shown that such a qualitative correlation is possible.After all,the SFE values are not treated as absolute values but rather become essential in comparative investigations when assessing the influences of alloying elements at a fundamental level,that is,free electron density distributions.Our study indicated that the principles of‘electronic metallurgy'in developing multi-elemental alloy systems can be followed via practical experimental methods,i.e.ΔWF measurements using KPFM and nanoindentation. 展开更多
关键词 Mg alloys Dilute alloys Work function Stacking fault energy Kelvin probe force microscopy Short range order Miedema NANOINDENTATION EUTECTICS
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Functionally gradient materials for sustainable and high-energy rechargeable lithium batteries:Design principles,progress,and perspectives
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作者 Jiaojiao Deng Xiuyun Ren +7 位作者 Hai Lin Liang Hu Yu Bai Xiaoliang Yu Jinhan Mo Qianling Zhang Feiyu Kang Baohua Li 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第12期426-449,共24页
Rechargeable lithium batteries with high-capacity cathodes/anodes promise high energy densities for nextgeneration electrochemical energy storage.However,the associated limitations at various scales greatly hinder the... Rechargeable lithium batteries with high-capacity cathodes/anodes promise high energy densities for nextgeneration electrochemical energy storage.However,the associated limitations at various scales greatly hinder their practical applications.Functional gradient material(FGM)design endows the electrode materials with property gradient,thus providing great opportunities to address the kinetics and stability obstacles.To date,still no review or perspective has covered recent advancements in gradient design at multiple scales for boosting lithium battery performances.To fill this void,this work provides a timely and comprehensive overview of this exciting and sustainable research field.We begin by overviewing the fundamental features of FGM and the rationales of gradient design for improved electrochemical performance.Then,we comprehensively review FGM design for rechargeable lithium batteries at various scales,including natural or artificial solid electrolyte interphase(SEI)at the nanoscale,micrometer-scale electrode particles,and macroscale electrode films.The link between gradient structure design and improved electrochemical performance is particularly highlighted.The most recent research into constructing novel functional gradients,such as valence and temperature gradients,has also been explored.Finally,we discussed the current constraints and future scope of FGM in rechargeable lithium batteries,aiming to inspire the development of novel FGM for next-generation high-performance lithium batteries. 展开更多
关键词 Rechargeable lithium battery functional gradient material High energy density Long cycle life Review
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Energy metabolism,immune function,and intestinal flora in rats with kidney-yin deficiency treated with raw or saltwater-processed Phellodendron chinense Schneid
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作者 Wenjing Ren Jiahui Zhao +7 位作者 Li Li Xiutong Ge Yue Zhou Yang Chen Shiru Jiang Tianzhu Jia Hui Gao Fan Zhang 《Journal of Traditional Chinese Medical Sciences》 CAS 2024年第4期488-499,共12页
Objective:To clarify the specific mechanisms of action of raw Phellodendron chinense Schneid.(RPC)and saltwater-processed PC(SPC)in the treatment of rats with a kidney-yin deficiency pattern(KYDP).Methods:Healthy rats... Objective:To clarify the specific mechanisms of action of raw Phellodendron chinense Schneid.(RPC)and saltwater-processed PC(SPC)in the treatment of rats with a kidney-yin deficiency pattern(KYDP).Methods:Healthy rats were administered hydrocortisone to establish a KYDP model.The rats were divided into seven groups:blank control,model,positive control(Liuwei Dihuang pills),high-dose RPC,low-dose RPC,high-dose SPC,and low-dose SPC.Enzyme-linked immunosorbent assay was used to measure the levels of cAMP,cGMP,TRH,TSH,T3,T4,IFN-g,TNF-a,and testosterone in the serum and the levels of Na^(+)-K^(+)-ATPase and Ca ^(2+)-Mg ^(2+)-ATPase in the liver.TRH mRNA expression in the rat hypo-thalamus was measured using RT-PCR.THRa1+2 protein expression in the hypothalamus of rats was measured using Western blot.Immunohistochemistry was performed to determine the expression levels of FAS,FasL,and TSHR.Flow cytometry was used to determine CD4^(+)and CD8^(+)T lymphocyte levels.Illumina MiSeq sequencing technology was used to evaluate the diversity of intestinal flora in KYDP rats.Results:The cAMP/cGMP ratio was significantly higher in the model group than in the blank control group(P=0.048).Compared with the model group,after administration,the levels of the above-mentioned serum and liver indexes decreased,except that of testosterone.The CD4^(+)/CD8^(+)ratio also decreased.Compared with the RPC group,the levels of T3,IFN-g,FAS,FasL,and TSHR in the SPC group decreased whereas that of testosterone increased.Additionally,immune function and intestinal flora diversity improved in the SPC group.SPC proved to be more effective in improving liver energy meta-bolism in KYDP rats than RPC.Conclusion:SPC had a better therapeutic effect on KYDP than RPC.The underlying mechanism of action may be related to improvements in liver energy metabolism,immune function,and intestinal flora diversity. 展开更多
关键词 Kidney-yin deficiency pattern Phellodendri Chinensis Cortex energy metabolism Immune function Intestinal flora Saltwater processing
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Emerging Directions in Polymer Interfaces,Adhesives,and Functional Coatings
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作者 Jian-Jun Wang Guang-Zhao Zhang Shou-Ke Yan 《Chinese Journal of Polymer Science》 2025年第7期1067-1067,共1页
Polymer science continues to play a transformative role in materials innovation,enabling breakthroughs across diverse domains including energy storage,flexible electronics,surface engineering,and soft robotics.At the ... Polymer science continues to play a transformative role in materials innovation,enabling breakthroughs across diverse domains including energy storage,flexible electronics,surface engineering,and soft robotics.At the heart of these advances lies a critical,often defining factor:the interface.Whether between polymers and solid substrates,liquids,gases,or other polymers,interfacial phenomena govern adhesion,wetting,energy dissipation,chemical reactivity,and signal transmission.Interfaces are not passive boundaries but active zones of complexity and function,where molecular interactions shape material performance at every scale—from nanometers to entire devices. 展开更多
关键词 energy storage polymer science functional coatings energy storageflexible adhesives flexible electronics soft roboticsat solid substratesliquidsgasesor
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Critical Bimetallic Phosphide Layer Enables Fast Electron Transfer and Extra Energy Supply for Flexible Quasi‑Solid‑State Zinc Batteries
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作者 Leixin Wu Linfeng Lv +15 位作者 Yibo Xiong Wenwu Wang Xiaoqiao Liao Xiyao Huang Ruiqi Song Zhe Zhu Yixue Duan Lei Wang Zeyu Ma Jiangwang Wang Fazal ul Nisa Kai Yang Muhammad Tahir Longbing Qu Wenlong Cai Liang He 《Nano-Micro Letters》 2025年第11期136-154,共19页
Nickel-based cathodes in aqueous nickel-zinc batteries typically suffer from sluggish reaction kinetics and limited energy density.In situ introduction of metal phosphides and rational construction of heterostructures... Nickel-based cathodes in aqueous nickel-zinc batteries typically suffer from sluggish reaction kinetics and limited energy density.In situ introduction of metal phosphides and rational construction of heterostructures can effectively promote electron/ion transport.However,the complex evolution of phosphidation and intractable phosphidizing degree greatly affect the composition of active phase,active sites,charge transfer rate,and ion adsorption strength of cathodes.Herein,the critical bimetallic phosphide layer(CBPL)is constructed on the NiCo-layered double hydroxide(NiCo-LDH)skeleton by a controllable anion-exchange strategy,yielding a novel nanohybrid cathode(NiCo-P1.0,1.0 representing the mass ratio of Na_(2)H_(2)PO_(2)to NiCo-LDH).The high-conductivity CBPL with the inner NiCo-LDH forms extensive heterostructures,effectively regulating the electronic structure via charge transfer,thereby improving electrical conductivity.Remarkably,the CBPL exhibits unexpected electrochemical activity and synergizes with NiCo-LDH for electrode reactions,ultimately delivering extra energy.Benefiting from the bifunctional CBPL,NiCo-P1.0 delivers an optimal capacity of 286.64 mAh g^(−1)at 1C(1C=289 mAh g^(−1))and superb rate performance(a capacity retention of 72.22%at 40C).The assembled NiCo-P1.0//Zn battery achieves ultrahigh energy/power density(503.62 Wh kg^(−1)/18.62 kW kg^(−1),based on the mass loading of active material on the cathode),and the flexible quasi-solid-state pouch cell validates its practicality.This work demonstrates the superiority of bifunctional CBPL for surface modification,providing an effective and scalable compositing strategy in achieving high-performance cathodes for aqueous batteries. 展开更多
关键词 Bimetallic phosphide layer Dual functionality Fast electron transfer energy supply Flexible quasi-solid-state batteries
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Formation mechanism of cluster-arranged layers in Mg-Y-Zn alloy:A density functional theory study
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作者 Ryosuke Matsumoto Naoki Uemura 《Journal of Magnesium and Alloys》 2025年第8期3702-3712,共11页
A sparsely introduced basal intrinsic 2-type stacking fault(I_(2)-SF)with a dense segregation of clusters(cluster-arranged layer;CAL)inα-Mg exerts a sufficient strengthening effect with a reduced content of additive ... A sparsely introduced basal intrinsic 2-type stacking fault(I_(2)-SF)with a dense segregation of clusters(cluster-arranged layer;CAL)inα-Mg exerts a sufficient strengthening effect with a reduced content of additive elements.Moreover,the dynamic nucleation and growth of CALs during deformation largely improves the creep resistance.This paper analyzes the cosegregation behaviors of yttrium(Y)and zinc(Zn)atoms at an I_(2)-SF in bulk and at basal edge dislocations using density functional theory calculations.We also study the modification of the generalized stacking-fault energy(GSFE)curves associated with the cosegregation.The segregation energies of Y and Zn atoms in the I_(2)-SF are relatively small during the initial segregation of a cluster,but increases stepwise as the cluster grows.After introducing Y and Zn atoms in the I_(2)-SF in an energetically stable order,we obtain an L1_(2)-type cluster resembling that reported in the literature.Small structural changes driven by vacancy diffusion produce an exact L1_(2)-type cluster.Meanwhile,the core of the Shockley partial dislocation generates sufficient segregation energy for cluster nucleation.Migration of the Shockley partial dislocation and expansion of the I_(2)-SF part are observed at a specific cluster size.The migration is triggered by a large modification of the GSFE curve and destabilization of the hexagonal close-packed stacking(hcp)by the segregated atoms.At this point,the cluster has reached sufficient size and continues to follow the growth in the I_(2)-SF part.According to our findings,the CAL at elevated temperature is formed through repeated synchronized behavior of cluster nucleation at the Shockley partial dislocation,dislocation migration triggered by the destabilized hcp stacking,and following of cluster growth in the I_(2)-SF part of the dislocation. 展开更多
关键词 Generalized stacking-fault energy Basal dislocation Segregation Density functional theory Long-period stacking-ordered phase Cluster-arranged layer
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Constructing a high-performance cathode for aqueous zinc ion batteries via understanding the energy storage mechanism of MnO
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作者 Xue-Min Yan Hong Li +2 位作者 Bing-Ling Zhang Bo-Hong Chen Wei Xiao 《Rare Metals》 2025年第1期218-229,共12页
MnO,a potential cathode for aqueous zinc ion batteries(AZIBs),has received extensive attention.Nevertheless,the hazy energy storage mechanism and sluggish Zn^(2+)kinetics pose a significant impediment to its future co... MnO,a potential cathode for aqueous zinc ion batteries(AZIBs),has received extensive attention.Nevertheless,the hazy energy storage mechanism and sluggish Zn^(2+)kinetics pose a significant impediment to its future commercialization.In light of this,the electrochemical activation processes and reaction mechanism of pure MnO were investigated.Combining the Pourbaix diagram and phase diagram of Zn-Mn-O with experiment results,the essential energy storage behavior of MnO cathode can be explained as follows:(1)Zn^(2+)insertion/extraction into ZnMn_(2)O_(4)derived from MnO-based active material,and(2)Zn^(2+)insertion/extraction into ZnMn_(2)O_(4)(originated from the transition of Mn^(2+)→Zn2Mn3O8→ZnMn_(2)O_(4)in the electrolyte).To further ulteriorly enhance the electrochemistry performance of MnO,N-doped carbon fiber surrounding MnO nanoparticles was constructed,which can provide a conductive matrix with a high specific surface area preventing the undue stack of as-formed ZnMn_(2)O_(4).Additionally,it creates a conductive highway for Zn^(2+)penetration through the electrode/electrolyte interphase,thanks to the electron-rich N that facilitate the reduction of the desolvation penalty.Thus,the results from this study provide a new angle for designing high-performance MnO-based cathodes for AZIBs. 展开更多
关键词 MnO-based cathode Phase diagram In-situ X-ray diffraction(XRD) Density functional theory(DFT) energy storage behavior
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Screening dual variable-valence metal oxides doped calcium-based material for calcium looping thermochemical energy storage and CO_(2)capture with DFT calculation
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作者 Youhao Zhang Yi Fang +4 位作者 Zhiwei Chu Zirui He Jianli Zhao Kuihua Han Yingjie Li 《Journal of Energy Chemistry》 2025年第8期170-182,共13页
The reaction characteristics of calcium-based materials during calcium looping(CaL)process are pivotal in the efficiency of CaL thermochemical energy storage(TCES)and CO_(2)capture systems.Currently,metal oxide doping... The reaction characteristics of calcium-based materials during calcium looping(CaL)process are pivotal in the efficiency of CaL thermochemical energy storage(TCES)and CO_(2)capture systems.Currently,metal oxide doping is the primary method to enhance the reaction characteristics of calcium-based materials over multiple cycles.In particular,co-doping with variable-valence metal oxides(VVMOs)can effectively increase the oxygen vacancy content in calcium-based materials,significantly improving their cyclic reaction characteristics.However,there are so numerous VVMOs co-doping schemes that the experimental screening process is complex,consuming considerable time and economic costs.Density functional theory(DFT)calculations have been widely used to reveal the impact of metal oxide doping on the cyclic reaction characteristics of calcium-based materials,with calculation results showing good agreement with experimental conclusions.Nevertheless,there is still a lack of research on utilizing DFT to screen calcium-based materials,and a systematic research methodology has not yet been established.In this study,a systematic DFT-based screening methodology for calcium-based materials was proposed.A series of key parameters for DFT calculations including CO_(2)adsorption energy,oxygen vacancy formation energy,and sintering resistance were proposed.Furthermore,a preliminary mathematical model to predict the CaL TCES and CO_(2)capture performance of calcium-based materials was introduced.The aforementioned DFT method was employed to screen for VVMOs co-doped calcium-based materials.The results revealed that Mn and Ce co-doped calcium-based materials exhibited superior DFT-predicted reaction characteristics.These DFT predictions were validated through experimental assessments of cyclic thermochemical energy storage,CO_(2)capture,and relevant characterization.The outcomes demonstrate a high degree of consistency among DFT-based predictions,experimental results,and characterization.Hence,the DFT-based screening methodology for calcium-based materials proposed herein is a viable solution,poised to offer theoretical insights for the efficient design of calcium-based materials. 展开更多
关键词 Density functional theorу Calcium looping Material screening Variable-valence metal oxide CO_(2)capture Thermochemical energy storage
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Optimizing wind energy harvester with machine learning
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作者 Shun WENG Liying WU +2 位作者 Zuoqiang LI Lanbin ZHANG Huliang DAI 《Applied Mathematics and Mechanics(English Edition)》 2025年第8期1417-1432,I0001-I0005,共21页
Optimizing wind energy harvesting performance remains a significant challenge.Machine learning(ML)offers a promising approach for addressing this challenge.This study proposes an ML-based approach using the radial bas... Optimizing wind energy harvesting performance remains a significant challenge.Machine learning(ML)offers a promising approach for addressing this challenge.This study proposes an ML-based approach using the radial basis function neural network(RBFNN)and differential evolution(DE)to predict and optimize the structural parameters(the diameter of the spherical bluff body D,the total spring stiffness k,and the length of the piezoelectric cantilever beam L)of the wind energy harvester(WEH).The RBFNN model is trained with theoretical data and validated with wind tunnel experimental results,achieving the coefficient-of-determination scores R2of 97.8%and 90.3%for predicting the average output power Pavgand aero-electro-mechanical efficiencyηaem,respectively.The DE algorithm is used to identify the optimal parameter combinations for wind speeds U ranging from 2.5 m/s to 6.5 m/s.The maximum Pavgis achieved when D=57.5 mm,k=28.8 N/m,L=112.1 mm,and U=4.6 m/s,while the maximumηaemis achieved when D=52.7 mm,k=29.2 N/m,L=89.2 mm,and U=4.7 m/s.Compared with that of the non-optimized structure,the WEH performance is improved by 28.6%in P_(avg)and 19.1%inη_(aem). 展开更多
关键词 wind energy harvester(WEH) vortex-induced vibration(VIV) piezoelectric effect machine learning(ML) radial basis function neural network(RBFNN) differential evolution(DE)
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Molecular Dynamics Study on Configuration Energy and Radial Distribution Functions of Ammonium Dihydrogen Phosphates Solution 被引量:2
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作者 王坤 赵亚范 +3 位作者 卢贵武 王玉良 陈菊娜 宿德志 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2014年第4期380-386,J0001,共8页
Molecular dynamics simulations were carried out to study the configuration energy and radial distribution functions of mmonium dihydrogen phosphate solution at different temperatures. The dihydrogen phosphate ion was ... Molecular dynamics simulations were carried out to study the configuration energy and radial distribution functions of mmonium dihydrogen phosphate solution at different temperatures. The dihydrogen phosphate ion was treated as a seven-site model and the ammonium ion was regarded as a five-site model, while a simple-point-charge model for water molecule. An unusually local particle number density fluctuation was observed in the system at saturation temperature. It can be found that the potential energy increases slowly with the temperature from 373 K to 404 K, which indicates that the ammonium dihydrogen phosphate has partly decomposed. The radial distribution function between the hydrogen atom of ammonium cation and the oxygen atom of dihydrogen phosphate ion at three different temperatures shows obvious difference, which indicates that the average H-bond number changes obviously with the temperature. The temperature has an influence on the combination between hydrogen atoms and phosphorus atoms of dihydrogen phosphate ion and there are much more growth units at saturated solutions. 展开更多
关键词 Ammonium dihydrogen phosphates solution Configuration energy Radialdistribution function Molecular dynamics simulation
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Alloy gene Gibbs energy partition function and equilibrium holographic network phase diagrams of AuCu_3-type sublattice system 被引量:3
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作者 谢佑卿 李小波 +2 位作者 刘心笔 聂耀庄 彭红建 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2014年第11期3585-3610,共26页
Taking AuCu3-type sublattice system as an example, three discoveries have been presented: First, the third barrier hindering the progress in metal materials science is that researchers have got used to recognizing exp... Taking AuCu3-type sublattice system as an example, three discoveries have been presented: First, the third barrier hindering the progress in metal materials science is that researchers have got used to recognizing experimental phenomena of alloy phase transitions during extremely slow variation in temperature by equilibrium thinking mode and then taking erroneous knowledge of experimental phenomena as selected information for establishing Gibbs energy function and so-called equilibrium phase diagram. Second, the equilibrium holographic network phase diagrams of AuCu3-type sublattice system may be used to describe systematic correlativity of the composition?temperature-dependent alloy gene arranging structures and complete thermodynamic properties, and to be a standard for studying experimental subequilibrium order-disorder transition. Third, the equilibrium transition of each alloy is a homogeneous single-phase rather than a heterogeneous two-phase, and there exists a single-phase boundary curve without two-phase region of the ordered and disordered phases; the composition and temperature of the top point on the phase-boundary curve are far away from the ones of the critical point of the AuCu3 compound. 展开更多
关键词 AuCu3 compound AuCu3-type sublattice system alloy gene Gibbs energy partition function equilibrium holographic network phase diagram systematic metal materials science
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Alloy gene Gibbs energy partition function and equilibrium holographic network phase diagrams of Au_3Cu-type sublattice system 被引量:3
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作者 谢佑卿 聂耀庄 +2 位作者 李小波 彭红建 刘心笔 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2015年第1期211-240,共30页
Taking Au3Cu-type sublattice system as an example, three discoveries have been presented. First, the fourth barrier to hinder the progress of metal materials science is that today’s researchers do not understand that... Taking Au3Cu-type sublattice system as an example, three discoveries have been presented. First, the fourth barrier to hinder the progress of metal materials science is that today’s researchers do not understand that the Gibbs energy function of an alloy phase should be derived from Gibbs energy partition function constructed of alloy gene sequence and their Gibbs energy sequence. Second, the six rules for establishing alloy gene Gibbs energy partition function have been discovered, and it has been specially proved that the probabilities of structure units occupied at the Gibbs energy levels in the degeneracy factor for calculating configuration entropy should be degenerated as ones of component atoms occupied at the lattice points. Third, the main characteristics unexpected by today’s researchers are as follows. There exists a single-phase boundary curve without two-phase region coexisting by the ordered and disordered phases. The composition and temperature of the top point on the phase-boundary curve are far away from those of the critical point of the Au3Cu compound; At 0 K, the composition of the lowest point on the composition-dependent Gibbs energy curve is notably deviated from that of the Au3Cu compounds. The theoretical limit composition range of long range ordered Au3Cu-type alloys is determined by the first jumping order degree. 展开更多
关键词 Au3Cu compound Au3Cu-type sublattice system alloy gene Gibbs energy partition function equilibrium holographic network phase diagrams systematic metal materials science
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A UNIVERSAL ANALYTIC POTENTIAL-ENERGY FUNCTION BASED ON A PHASE FACTOR 被引量:11
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作者 CFYu KYan DZLiu 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2006年第6期455-468,共14页
Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are o... Using a field equation with a phase factor, a universal analytic potential-energy function applied to the interactions between diatoms or molecules is derived, and five kinds of potential curves of common shapes are obtained adjusting the phase factors. The linear thermal expansion coefficients and Young's moduli of eleven kinds of face-centered cubic (fcc) metals - Al, Cu, Ag, etc. are calculated using the potential-energy function; the computational results are quite consistent with experimental values. Moreover, an analytic relation between the linear thermal expansion coefficients and Young's moduli of fcc metals is given using the potential-energy function. Finally, the force constants of fifty-five kinds of diatomic moleculars with low excitation state are computed using this theory, and they are quite consistent with RKR (Rydberg-Klein-Rees) experimental values. 展开更多
关键词 universal potential energy function field equation phase factor derivative renormalization linear thermal expansion coefficient Young's modulus force constant
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Functionalization of Polypropylene with High Dielectric Properties: Applications in Electric Energy Storage 被引量:9
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作者 T. C. Mike Chung 《Green and Sustainable Chemistry》 2012年第2期29-37,共9页
Biaxial-oriented polypropylene (BOPP) thin films are currently used as dielectrics in state-of-the-art capacitors that show many advantages, such as low energy loss and high breakdown strength, but a limited energy de... Biaxial-oriented polypropylene (BOPP) thin films are currently used as dielectrics in state-of-the-art capacitors that show many advantages, such as low energy loss and high breakdown strength, but a limited energy density ( 600 MV/m. The PP-OH dielectric demonstrates a linear reversible charge storage behavior with high releasing energy density > 7 J/cm3 (2 - 3 times of BOPP) after an applied electric field at E = 600 MV/m, without showing any significant increase of energy loss and remnant polarization at zero electric field. On the other hand, a cross-linked polypropylene (x-PP) exhibits an ε ~ 3, which is independent of a wide range of temperatures and frequencies, slim polarization loops, high breakdown strength (E = 650 MV/m), narrow breakdown distribution, and reliable energy storage capacity > 5 J/cm3 (double that of state-of-the-art BOPP capacitors), without showing any increase in energy loss. 展开更多
关键词 CAPACITOR DIELECTRIC energy Storage POLYPROPYLENE functionAL POLYOLEFIN
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