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Proof of Aerobically Autoxidized Self-Charge Concept Based on Single Catechol-Enriched Carbon Cathode Material
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作者 Junyan Wang Wanchun Guo +12 位作者 Kesong Tian Xinta Li Xinyu Wang Panhua Li Yu Zhang Bosen Zhang Biao Zhang Shuhu Liu Xueai Li Zhaopeng Xu Junjie Xu Haiyan Wang Yanglong Hou 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第4期1-13,共13页
The self-charging concept has drawn considerable attention due to its excellent ability to achieve environmental energy harvesting,conversion and storage without an external power supply.However,most self-charging des... The self-charging concept has drawn considerable attention due to its excellent ability to achieve environmental energy harvesting,conversion and storage without an external power supply.However,most self-charging designs assembled by multiple energy harvesting,conversion and storage materials increase the energy transfer loss;the environmental energy supply is generally limited by climate and meteorological conditions,hindering the potential application of these selfpowered devices to be available at all times.Based on aerobic autoxidation of catechol,which is similar to the electrochemical oxidation of the catechol groups on the carbon materials under an electrical charge,we proposed an air-breathing chemical self-charge concept based on the aerobic autoxidation of catechol groups on oxygen-enriched carbon materials to ortho-quinone groups.Energy harvesting,conversion and storage functions could be integrated on a single carbon material to avoid the energy transfer loss among the different materials.Moreover,the assembled Cu/oxygen-enriched carbon battery confirmed the feasibility of the air-oxidation self-charging/electrical discharging mechanism for potential applications.This air-breathing chemical self-charge concept could facilitate the exploration of high-efficiency sustainable air self-charging devices. 展开更多
关键词 Carbon material Oxygen functionality Air oxidation self-charge
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Electronic properties of 2D materials and their junctions
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作者 Taposhree Dutta Neha Yadav +8 位作者 Yongling Wu Gary J.Cheng Xiu Liang Seeram Ramakrishna Aoussaj Sbai Rajeev Gupta Aniruddha Mondal Zheng Hongyu Ashish Yadav 《Nano Materials Science》 EI CAS CSCD 2024年第1期1-23,共23页
With an extensive range of distinctive features at nano meter-scale thicknesses,two-dimensional(2D)materials drawn the attention of the scientific community.Despite tremendous advancements in exploratory research on 2... With an extensive range of distinctive features at nano meter-scale thicknesses,two-dimensional(2D)materials drawn the attention of the scientific community.Despite tremendous advancements in exploratory research on 2D materials,knowledge of 2D electrical transport and carrier dynamics still in its infancy.Thus,here we highlighted the electrical characteristics of 2D materials with electronic band structure,electronic transport,dielectric constant,carriers mobility.The atomic thinness of 2D materials makes substantially scaled field-effect transistors(FETs)with reduced short-channel effects conceivable,even though strong carrier mobility required for high performance,low-voltage device operations.We also discussed here about factors affecting 2D materials which easily enhanced the activity of those materials for various applications.Presently,Those 2D materials used in state-of-the-art electrical and optoelectronic devices because of the extensive nature of their electronic band structure.2D materials offer unprecedented freedom for the design of novel p-n junction device topologies in contrast to conventional bulk semiconductors.We also,describe the numerous 2D p-n junctions,such as homo junction and hetero junction including mixed dimensional junctions.Finally,we talked about the problems and potential for the future. 展开更多
关键词 2D materials Electrical properties p-n junctions Mixed hereto junctions Homo junctions Electrical transport
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Toward high-efficiency perovskite solar cells with one-dimensional oriented nanostructured electron transport materials 被引量:1
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作者 Yinhua Lv Bing Cai +3 位作者 Ruihan Yuan Yihui Wu Quinn Qiao Wen-Hua Zhang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第7期66-87,I0003,共23页
The unique advantages of one-dimensional(1D)oriented nanostructures in light-trapping and chargetransport make them competitive candidates in photovoltaic(PV)devices.Since the emergence of perovskite solar cells(PSCs)... The unique advantages of one-dimensional(1D)oriented nanostructures in light-trapping and chargetransport make them competitive candidates in photovoltaic(PV)devices.Since the emergence of perovskite solar cells(PSCs),1D nanostructured electron transport materials(ETMs)have drawn tremendous interest.However,the power conversion efficiencies(PCEs)of these devices have always significantly lagged behind their mesoscopic and planar counterparts.High-efficiency PSCs with 1D ETMs showing efficiency over 22%were just realized in the most recent studies.It yet lacks a comprehensive review covering the development of 1D ETMs and their application in PSCs.We hence timely summarize the advances in 1D ETMs-based solar cells,emphasizing on the fundamental and optimization issues of charge separation and collection ability,and their influence on PV performance.After sketching the classification and requirements for high-efficiency 1D nanostructured solar cells,we highlight the applicability of 1D TiO_(2)nanostructures in PSCs,including nanotubes,nanorods,nanocones,and nanopyramids,and carefully analyze how the electrostatic field affects cell performance.Other kinds of oriented nanostructures,e.g.,ZnO and SnO_(2)ETMs,are also described.Finally,we discuss the challenges and propose some potential strategies to further boost device performance.This review provides a broad range of valuable work in this fast-developing field,which we hope will stimulate research enthusiasm to push PSCs to an unprecedented level. 展开更多
关键词 1D nanostructures Perovskite solar cells Electron transport materials Electrostatic field High-efficiency
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A direct laser-synthesized magnetic metamaterial for low-frequency wideband passive microwave absorption
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作者 Yihe Huang Yize Li +10 位作者 Kewen Pan Yixian Fang Kai Chio Chan Xiaoyu Xiao Chao Wei Kostya S Novoselov John Gallop Ling Hao Zhu Liu Zhirun Hu Lin Li 《International Journal of Extreme Manufacturing》 SCIE EI CAS CSCD 2023年第3期667-680,共14页
Microwave absorption in radar stealth technology is faced with challenges in terms of its effectiveness in low-frequency regions.Herein,we report a new laser-based method for producing an ultrawideband metamaterial-ba... Microwave absorption in radar stealth technology is faced with challenges in terms of its effectiveness in low-frequency regions.Herein,we report a new laser-based method for producing an ultrawideband metamaterial-based microwave absorber with a highly uniform sheet resistance and negative magnetic permeability at resonant frequencies,which results in a wide bandwidth in the L-to S-band.Control of the electrical sheet resistance uniformity has been achieved with less than 5%deviation at 400Ωsq^(-1)and 6%deviation at 120Ωsq^(-1),resulting in a microwave absorption coefficient between 97.2%and 97.7%within a1.56–18.3 GHz bandwidth for incident angles of 0°–40°,and there is no need for providing energy or an electrical power source during the operation.Porous N-and S-doped turbostratic graphene 2D patterns with embedded magnetic nanoparticles were produced simultaneously on a polyethylene terephthalate substrate via laser direct writing.The proposed low-frequency,wideband,wide-incident-angle,and high-electromagnetic-absorption microwave absorber can potentially be used in aviation,electromagnetic interference(EMI)suppression,and 5G applications. 展开更多
关键词 laser direct writing degrees of crystallization Fe_(3)O_(4)nanoparticles wide bandwidth low frequency
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Fe含量对粉末冶金Cu-Fe合金显微组织与性能的影响
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作者 张平 袁晓波 +4 位作者 曾梓名 滕剑威 周芸合 杨标标 李云平 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2024年第5期1571-1587,共17页
研究Fe含量对粉末冶金Cu-Fe合金显微组织及性能的影响。采用电火花等离子烧结、冷轧以及时效处理工艺制备4种不同铁含量(5%、10%、20%和40%,质量分数)的Cu-Fe合金。研究结果表明,随着Fe含量从5%(质量分数)增加到40%(质量分数),Fe相由离... 研究Fe含量对粉末冶金Cu-Fe合金显微组织及性能的影响。采用电火花等离子烧结、冷轧以及时效处理工艺制备4种不同铁含量(5%、10%、20%和40%,质量分数)的Cu-Fe合金。研究结果表明,随着Fe含量从5%(质量分数)增加到40%(质量分数),Fe相由离散球形分布演变为连续交错分布,Fe相尺寸从0.29μm增加到1.20μm;时效态的Cu-Fe合金的屈服强度从411.5 MPa提高到788.8 MPa,电导率从62.5%(IACS)降低到42.0%(IACS)。在以上结果的基础上,提出一种混合法则计算Cu基体、初级Fe相和次级Fe相对屈服强度的贡献,可较好地预测Fe含量高于10%(质量分数)合金的力学性能。 展开更多
关键词 铜铁合金 粉末冶金 快速凝固 力学性能 强度计算
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Relationship between the unique microstructures and behaviors of high-entropy alloys 被引量:1
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作者 Yaqi Wu Peter KLiaw +5 位作者 Ruixuan Li Weiran Zhang Guihong Geng Xuehui Yan Guiqun Liu Yong Zhang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第6期1350-1363,共14页
High-entropy alloys(HEAs),which were introduced as a pioneering concept in 2004,have captured the keen interest of nu-merous researchers.Entropy,in this context,can be perceived as representing disorder and randomness... High-entropy alloys(HEAs),which were introduced as a pioneering concept in 2004,have captured the keen interest of nu-merous researchers.Entropy,in this context,can be perceived as representing disorder and randomness.By contrast,elemental composi-tions within alloy systems occupy specific structural sites in space,a concept referred to as structure.In accordance with Shannon entropy,structure is analogous to information.Generally,the arrangement of atoms within a material,termed its structure,plays a pivotal role in dictating its properties.In addition to expanding the array of options for alloy composites,HEAs afford ample opportunities for diverse structural designs.The profound influence of distinct structural features on the exceptional behaviors of alloys is underscored by numer-ous examples.These features include remarkably high fracture strength with excellent ductility,antiballistic capability,exceptional radi-ation resistance,and corrosion resistance.In this paper,we delve into various unique material structures and properties while elucidating the intricate relationship between structure and performance. 展开更多
关键词 high-entropy alloys unique microstructure special properties alloy design
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Origin of nucleation and growth of extension twins in grains unsuitably oriented for twinning during deformation of Mg-1%Al
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作者 Biaobiao Yang Javier LLorca 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第3期1186-1203,共18页
A large number of anomalous extension twins,with low or even negative twinning Schmid factors,were found to nucleate and grow in a strongly textured Mg-1Al alloy during tensile deformation along the extruded direction... A large number of anomalous extension twins,with low or even negative twinning Schmid factors,were found to nucleate and grow in a strongly textured Mg-1Al alloy during tensile deformation along the extruded direction.The deformation mechanisms responsible for this behaviour were investigated through in-situ electron back-scattered diffraction,grain reference orientation deviation,and slip trace-modified lattice rotation.It was found that anomalous extension twins nucleated mainly at the onset of plastic deformation at or near grain boundary triple junctions.They were associated with the severe strain incompatibility between neighbour grains as a result from the differentbasal slip-induced lattice rotations.Moreover,the anomalous twins were able to grow with the applied strain due to the continuous activation ofbasal slip in different neighbour grains,which enhanced the strain incompatibility.These results reveal the complexity of the deformation mechanisms in Mg alloys at the local level when deformed along hard orientations. 展开更多
关键词 Magnesium Extension twinning In-situ electron back-scattered diffraction basal slip Deformation mechanisms.
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Mg/Fe site-specific dual-doping to boost the performance of cobalt-free nickle-rich layered oxide cathode for high-energy lithium-ion batteries
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作者 Yunting Wang Gaohui Du +7 位作者 Di Han Wenhao Shi Jiahao Deng Huayu Li Wenqi Zhao Shukai Ding Qingmei Su Bingshe Xu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期670-679,共10页
Layer-type LiNi0.9Mn0.1O2is promising to be the primary cathode material for lithium-ion batteries(LIBs)due to its excellent electrochemical performance.Unfortunately,the cathode with high nickel content suffers from ... Layer-type LiNi0.9Mn0.1O2is promising to be the primary cathode material for lithium-ion batteries(LIBs)due to its excellent electrochemical performance.Unfortunately,the cathode with high nickel content suffers from severely detrimental structural transformation that causes rapid capacity attenuation.Herein,site-specific dual-doping with Fe and Mg ions is proposed to enhance the structural stability of LiNi0.9Mn0.1O2.The Fe3+dopants are inserted into transition metal sites(3b)and can favorably provide additional redox potential to compensate for charge and enhance the reversibility of anionic redox.The Mg ions are doped into the Li sites(3a)and serve as O_(2)^(-)-Mg^(2+)-O_(2)^(-)pillar to reinforce the electrostatic cohesion between the two adjacent transition-metal layers,which further suppress the cracking and the generation of harmful phase transitions,ultimately improving the cyclability.The theoretical calculations,including Bader charge and crystal orbital Hamilton populations(COHP)analyses,confirm that the doped Fe and Mg can form stable bonds with oxygen and the electrostatic repulsion of O_(2)^(-)-O_(2)^(-)can be effectively suppressed,which effectively mitigates oxygen anion loss at the high delithiation state.This dual-site doping strategy offers new avenues for understanding and regulating the crystalline oxygen redox and demonstrates significant potential for designing high-performance cobalt-free nickel-rich cathodes. 展开更多
关键词 Cobalt-free Layered oxide Cathode Dual dopants Density functional theory calculation
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Evolution of microstructure and properties of a novel Ni-based superalloy during stress relief annealing
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作者 Lei Jia Heng Cui +3 位作者 Shufeng Yang Shaomin Lü Xingfei Xie Jinglong Qu 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第8期1876-1889,共14页
We discussed the decrease in residual stress,precipitation evolution,and mechanical properties of GH4151 alloy in different annealing temperatures,which were studied by the scanning electron microscope(SEM),high-resol... We discussed the decrease in residual stress,precipitation evolution,and mechanical properties of GH4151 alloy in different annealing temperatures,which were studied by the scanning electron microscope(SEM),high-resolution transmission electron microscopy(HRTEM),and electron backscatter diffraction(EBSD).The findings reveal that annealing processing has a significant impact on diminishing residual stresses.As the annealing temperature rose from 950 to 1150℃,the majority of the residual stresses were relieved from 60.1 MPa down to 10.9 MPa.Moreover,the stress relaxation mechanism transitioned from being mainly controlled by dislocation slip to a combination of dislocation slip and grain boundary migration.Meanwhile,the annealing treatment promotes the decomposition of the Laves,accompanied by the precipitation ofμ-(Mo_(6)Co_(7))starting at 950℃ and reaching a maximum value at 1050℃.The tensile strength and plasticity of the annealing alloy at 1150℃ reached the maximum(1394 MPa,56.1%)which was 131%,200%fold than those of the as-cast alloy(1060 MPa,26.6%),but the oxidation process in the alloy was accelerated at 1150℃.The enhancement in durability and flexibility is primarily due to the dissolution of the brittle phase,along with the shape and dispersal of theγ′phase. 展开更多
关键词 GH4151 alloy annealing treatment residual stress precipitation evolution STRENGTH mechanical properties
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Microstructure and properties of LZQT600-3 HCCDIBs for plunger pump cylinder
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作者 Chun-jie Xu Yuan-ying Jin +8 位作者 Dong Ma Zhen Zhao Jia-wei Qi Shang Sui Xiang-quan Wu Can Guo Zhong-ming Zhang Yong-hui Liu Dan Shechtman 《China Foundry》 SCIE EI CAS CSCD 2024年第2期197-204,共8页
It is important to improve the comprehensive performance of the ductile iron bars(DIBs)for the cylinder block of the extra high pressure hydraulic plunger pump and accelerate the industrial application.In this work,th... It is important to improve the comprehensive performance of the ductile iron bars(DIBs)for the cylinder block of the extra high pressure hydraulic plunger pump and accelerate the industrial application.In this work,the LZQT600-3 DIBs with the diameter of 145 mm were prepared by the horizontal continuous casting(HCC)process,that is,LZQT600-3 HCCDIBs.The microstructure and room temperature tensile properties of different sections[left-edge(surface layer),left-1/2R(left half of the radius),and the center of the HCCDIBs]were studied.The results show that the spheroidization of LZQT600-3 HCCDIBs matrix from the left-edge,left-1/2R to the center is at nodulizing grade II and above.As the cooling rate gradually decreases from surface to the center of the HCCIBs,the number of spheroidized graphite is gradually reduced,the size is gradually increased,the shape factor is decreased,and the pearlite content and lamellate spacing are increased.Along the horizontal direction of the section,the hardness of the material is distributed symmetrically around the center of the HCCDIBs.In the vertical direction,the hardness distribution in the center of the HCCDIBs is asymmetrical due to the gravity during the solidification process.Therefore,the microstructure in the lower part of the section solidifies relatively quickly.The left-edge has the best tensile mechanical properties,and the ultimate tensile strength,yield tensile strength and elongation are 597.3 MPa,418.5 MPa and 9.6%,respectively.The tensile fracture belongs to the ductile-brittle hybrid fracture.The comprehensive performances of LZQT600-3 HCCDIBs meet the actual application requirements of ultra-high pressure hydraulic plunger pump cylinder. 展开更多
关键词 horizontal continuous casting(HCC) nodular cast iron ductile iron bars microstructure mechanical properties
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Extended finite element-based cohesive zone method for modeling simultaneous hydraulic fracture height growth in layered reservoirs
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作者 Lei Yang Baixi Chen 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE CSCD 2024年第8期2960-2981,共22页
In this study,a fully coupled hydromechanical model within the extended finite element method(XFEM)-based cohesive zone method(CZM)is employed to investigate the simultaneous height growth behavior of multi-cluster hy... In this study,a fully coupled hydromechanical model within the extended finite element method(XFEM)-based cohesive zone method(CZM)is employed to investigate the simultaneous height growth behavior of multi-cluster hydraulic fractures in layered porous reservoirs with modulus contrast.The coupled hydromechanical model is first verified against an analytical solution and a laboratory experiment.Then,the fracture geometry(e.g.height,aperture,and area)and fluid pressure evolutions of multiple hydraulic fractures placed in a porous reservoir interbedded with alternating stiff and soft layers are investigated using the model.The stress and pore pressure distributions within the layered reservoir during fluid injection are also presented.The simulation results reveal that stress umbrellas are easily to form among multiple hydraulic fractures’tips when propagating in soft layers,which impedes the simultaneous height growth.It is also observed that the impediment effect of soft layer is much more significant in the fractures suppressed by the preferential growth of adjoining fractures.After that,the combined effect of in situ stress ratio and fracturing spacing on the multi-fracture height growth is presented,and the results elucidate the influence of in situ stress ratio on the height growth behavior depending on the fracture spacing.Finally,it is found that the inclusion of soft layers changes the aperture distribution of outmost and interior hydraulic fractures.The results obtained from this study may provide some insights on the understanding of hydraulic fracture height containment observed in filed. 展开更多
关键词 Hydraulic fracturing Layered reservoir Simultaneous height growth In situ stress Fracture spacing Extended finite element method(XFEM) Cohesive zone method(CZM)
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Carrageenan Fiber Prepared by a New Process Route of Ba^(2+)Ion Pre-Crosslinking in the Spinning Solution
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作者 Liting Jia Xiao Han +3 位作者 Cuixia Qiao Gang Zhao Yanzhi Xia Zhixin Xue 《Journal of Renewable Materials》 EI CAS 2024年第3期427-441,共15页
Ba^(2+)pre-crosslinked carrageenan fiber(Ba/CAF)was prepared by adding a small amount of Ba^(2+) to the carrageenan(CA)solution as the spinning solution.Ba/CAF-n/A,Ba/CAF-n/B and Ba/CAF-n/C were prepared with ethanol ... Ba^(2+)pre-crosslinked carrageenan fiber(Ba/CAF)was prepared by adding a small amount of Ba^(2+) to the carrageenan(CA)solution as the spinning solution.Ba/CAF-n/A,Ba/CAF-n/B and Ba/CAF-n/C were prepared with ethanol solution(combine A),high concentration BaCl_(2)solution(combine B)and low concentration BaCl_(2)solution(combine C),as coagulation bath and stretch bath,respectively.The combination of coagulation bath and stretch bath suitable for Ba^(2+) pre-crosslinking wet spinning was screened.The results showed that Ba^(2+) can induce the birefringence of the CA molecular chain,and the Ba^(2+) pre-crosslinking effect is the best when the CA mass fraction is 8.0 wt%.From the perspective of production safety,fiber performance and spinning cost,the coagulation bath of 3.5 wt%BaCl_(2)solution and stretch bath of 1.7 wt%BaCl_(2)solution,that is,combination C with low concentration BaCl_(2)solution,is the best choice.Ba/CAF-8.0/C was obtained under the best conditions.The linear intensity,water absorption and flame retardancy study showed that the breaking strength of Ba/CAF-8.0/C is as high as 1.61 cN/dtex,the water absorption was 649.2%and 574.3%,in deionized water and normal saline,respectively,and the LOI value reached 32. 展开更多
关键词 Carrageenan fiber Ba^(2+)ion pre-crosslinking wet spinning flame retardancy
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Joint Modeling of Citation Networks and User Preferences for Academic Tagging Recommender System
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作者 Weiming Huang Baisong Liu Zhaoliang Wang 《Computers, Materials & Continua》 SCIE EI 2024年第6期4449-4469,共21页
In the tag recommendation task on academic platforms,existing methods disregard users’customized preferences in favor of extracting tags based just on the content of the articles.Besides,it uses co-occurrence techniq... In the tag recommendation task on academic platforms,existing methods disregard users’customized preferences in favor of extracting tags based just on the content of the articles.Besides,it uses co-occurrence techniques and tries to combine nodes’textual content for modelling.They still do not,however,directly simulate many interactions in network learning.In order to address these issues,we present a novel system that more thoroughly integrates user preferences and citation networks into article labelling recommendations.Specifically,we first employ path similarity to quantify the degree of similarity between user labelling preferences and articles in the citation network.Then,the Commuting Matrix for massive node pair paths is used to improve computational performance.Finally,the two commonalities mentioned above are combined with the interaction paper labels based on the additivity of Poisson distribution.In addition,we also consider solving the model’s parameters by applying variational inference.Experimental results demonstrate that our suggested framework agrees and significantly outperforms the state-of-the-art baseline on two real datasets by efficiently merging the three relational data.Based on the Area Under Curve(AUC)and Mean Average Precision(MAP)analysis,the performance of the suggested task is evaluated,and it is demonstrated to have a greater solving efficiency than current techniques. 展开更多
关键词 Collaborative filtering citation networks variational inference poisson factorization tag recommendation
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Atomically Dispersed Ruthenium Catalysts with Open Hollow Structure for Lithium-Oxygen Batteries
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作者 Xin Chen Yu Zhang +5 位作者 Chang Chen Huinan Li Yuran Lin Ke Yu Caiyun Nan Chen Chen 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第2期154-164,共11页
Lithium–oxygen battery with ultrahigh theoretical energy density is considered a highly competitive next-generation energy storage device,but its practical application is severely hindered by issues such as difficult... Lithium–oxygen battery with ultrahigh theoretical energy density is considered a highly competitive next-generation energy storage device,but its practical application is severely hindered by issues such as difficult decomposition of discharge products at present.Here,we have developed N-doped carbon anchored atomically dispersed Ru sites cathode catalyst with open hollow structure(h-RuNC)for Lithium–oxygen battery.On one hand,the abundance of atomically dispersed Ru sites can effectively catalyze the formation and decomposition of discharge products,thereby greatly enhancing the redox kinetics.On the other hand,the open hollow structure not only enhances the mass activity of atomically dispersed Ru sites but also improves the diffusion efficiency of catalytic molecules.Therefore,the excellent activity from atomically dispersed Ru sites and the enhanced diffusion from open hollow structure respectively improve the redox kinetics and cycling stability,ultimately achieving a high-performance lithium–oxygen battery. 展开更多
关键词 Atomically dispersed Open hollow structure Discharge product LITHIUM Oxygen battery
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The chemical environment and structural ordering in liquid Mg-Y-Zn system:An ab-initio molecular dynamics investigation of melt for the formation mechanism of LPSO structure
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作者 Tangpeng Ma Jin Wang +5 位作者 Kaiming Cheng Chengwei Zhan Jixue Zhou Jingyu Qin Guochen Zhao Xinfang Zhang 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第2期815-824,共10页
In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular... In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics simulation.In liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local structure.For Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid structure.Due to the coexistence of Y and Zn,the strong attractive interaction is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from Zn.What is more,the distribution of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn alloys.These results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level. 展开更多
关键词 Mg-Y-Zn Chemical environment Structural ordering ab-initio molecular dynamics
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In silico optimization of actuation performance in dielectric elastomercomposites via integrated finite element modeling and deep learning
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作者 Jiaxuan Ma Sheng Sun 《Theoretical & Applied Mechanics Letters》 CAS CSCD 2024年第1期48-56,共9页
Dielectric elastomers(DEs)require balanced electric actuation performance and mechanical integrity under applied voltages.Incorporating high dielectric particles as fillers provides extensive design space to optimize ... Dielectric elastomers(DEs)require balanced electric actuation performance and mechanical integrity under applied voltages.Incorporating high dielectric particles as fillers provides extensive design space to optimize concentration,morphology,and distribution for improved actuation performance and material modulus.This study presents an integrated framework combining finite element modeling(FEM)and deep learning to optimize the microstructure of DE composites.FEM first calculates actuation performance and the effective modulus across varied filler combinations,with these data used to train a convolutional neural network(CNN).Integrating the CNN into a multi-objective genetic algorithm generates designs with enhanced actuation performance and material modulus compared to the conventional optimization approach based on FEM approach within the same time.This framework harnesses artificial intelligence to navigate vast design possibilities,enabling optimized microstructures for high-performance DE composites. 展开更多
关键词 Dielectric elastomer composites Multi-objective optimization Finite element modeling Convolutional neural network
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Revealing the specific role of sulfide and nano-alumina in composite solid-state electrolytes for performance-reinforced ether-nitrile copolymers
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作者 Haoyang Yuan Changhao Tian +3 位作者 Mengyuan Song Wenjun Lin Tao Huang Aishui Yu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期628-636,共9页
Composite solid-state electrolytes represent a critical pathway that balances the interface compatibility and lithium-ion conductivity in all-solid-state batteries.The quest for stable and highly ion-conductive combin... Composite solid-state electrolytes represent a critical pathway that balances the interface compatibility and lithium-ion conductivity in all-solid-state batteries.The quest for stable and highly ion-conductive combinations between polymers and fillers is vital,but blind attempts are often made due to a lack of understanding of the mechanisms involved in the interaction between polymers and fillers.Herein,we employ in-situ polymerization to prepare a polymer based on an ether-nitrile copolymer with high cathode stability as the foundation and discuss the performance enhancement mechanisms of argyrodite and nano-alumina.With 1%content of sulfide interacting with the polymer at the two-phase interface,the local enhancement of lithium-ion migration capability can be achieved,avoiding the reduction in capacity due to the low ion conductivity of the passivation layer during cycling.The capacity retention after 50cycles at 0.5 C increases from 83.5%to 94.4%.Nano-alumina,through anchoring the anions and interface inhibition functions,eventually poses an initial discharge capacity of 136.8 m A h g^(-1)at 0.5 C and extends the cycling time to 1000 h without short-circuiting in lithium metal batteries.Through the combined action of dual fillers on the composite solid-state electrolyte,promising insights are provided for future material design. 展开更多
关键词 Composite solid-state electrolytes Lithium metal anode Dual fillers Interfacial ionic conduction Inert nano-alumina
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A review of understanding electrocatalytic reactions in energy conversion and energy storage systems via scanning electrochemical microscopy
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作者 Jihye Park Jong Hwan Lim +4 位作者 Jin-Hyuk Kang Jiheon Lim Ho Won Jang Hosun Shin Sun Hwa Park 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期155-177,共23页
To address climate change and promote environmental sustainability,electrochemical energy conversion and storage systems emerge as promising alternative to fossil fuels,catering to the escalating demand for energy.Ach... To address climate change and promote environmental sustainability,electrochemical energy conversion and storage systems emerge as promising alternative to fossil fuels,catering to the escalating demand for energy.Achieving optimal energy efficiency and cost competitiveness in these systems requires the strategic design of electrocatalysts,coupled with a thorough comprehension of the underlying mechanisms and degradation behavior occurring during the electrocatalysis processes.Scanning electrochemical microscopy(SECM),an analytical technique for studying surface electrochemically,stands out as a powerful tool offering electrochemical insights.It possesses remarkable spatiotemporal resolution,enabling the visualization of the localized electrochemical activity and surface topography.This review compiles crucial research findings and recent breakthroughs in electrocatalytic processes utilizing the SECM methodology,specifically focusing on applications in electrolysis,fuel cells,and metal–oxygen batteries within the realm of energy conversion and storage systems.Commencing with an overview of each energy system,the review introduces the fundamental principles of SECM,and aiming to provide new perspectives and broadening the scope of applied research by describing the major research categories within SECM. 展开更多
关键词 Scanning electrochemical microscopy ELECTROCATALYST ELECTROCATALYSIS Water splitting Fuel cell Metal-oxygen battery
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Nano-Au-decorated hierarchical porous cobalt sulfide derived from ZIF-67 toward optimized oxygen evolution catalysis:Important roles of microstructures and electronic modulation
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作者 Hongyu Gong Guanliang Sun +6 位作者 Wenhua Shi Dongwei Li Xiangjun Zheng Huan Shi Xiu Liang Ruizhi Yang Changzhou Yuan 《Carbon Energy》 SCIE EI CAS CSCD 2024年第5期1-14,共14页
Enhancing both the number of active sites available and the intrinsic activity of Co-based electrocatalysts simultaneously is a desirable goal.Herein,a ZIF-67-derived hierarchical porous cobalt sulfide decorated by Au... Enhancing both the number of active sites available and the intrinsic activity of Co-based electrocatalysts simultaneously is a desirable goal.Herein,a ZIF-67-derived hierarchical porous cobalt sulfide decorated by Au nanoparticles(NPs)(denoted as HP-Au@CoxSy@ZIF-67)hybrid is synthesized by low-temperature sulfuration treatment.The well-defined macroporous-mesoporous-microporous structure is obtained based on the combination of polystyrene spheres,as-formed CoxSy nanosheets,and ZIF-67 frameworks.This novel three-dimensional hierarchical structure significantly enlarges the three-phase interfaces,accelerating the mass transfer and exposing the active centers for oxygen evolution reaction.The electronic structure of Co is modulated by Au through charge transfer,and a series of experiments,together with theoretical analysis,is performed to ascertain the electronic modulation of Co by Au.Meanwhile,HP-Au@CoxSy@ZIF-67 catalysts with different amounts of Au were synthesized,wherein Au and NaBH4 reductant result in an interesting“competition effect”to regulate the relative ratio of Co^(2+)/Co^(3+),and moderate Au assists the electrochemical performance to reach the highest value.Consequently,the optimized HP-Au@CoxSy@ZIF-67 exhibits a low overpotential of 340 mV at 10 mA cm^(-2)and a Tafel slope of 42 mV dec-1 for OER in 0.1 M aqueous KOH,enabling efficient water splitting and Zn-air battery performance.The work here highlights the pivotal roles of both microstructural and electronic modulation in enhancing electrocatalytic activity and presents a feasible strategy for designing and optimizing advanced electrocatalysts. 展开更多
关键词 Au nanoparticles cobalt sulfide electronic modulation hierarchical porous structure oxygen evolution reaction
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Influence of High-Pressure Induced Lattice Dislocations and Distortions on Thermoelectric Performance of Pristine SnTe
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作者 郑博文 陈涛 +5 位作者 孙海瑞 杨曼曼 杨兵超 陈欣 张永胜 刘晓兵 《Chinese Physics Letters》 SCIE EI CAS CSCD 2024年第5期61-68,共8页
As a sister compound of PbTe, SnTe possesses the environmentally friendly elements. However, the pristine SnTe compounds suffer from the high carrier concentration, the large valence band offset between the L and Σpo... As a sister compound of PbTe, SnTe possesses the environmentally friendly elements. However, the pristine SnTe compounds suffer from the high carrier concentration, the large valence band offset between the L and Σpositions and high thermal conductivity. Using high-pressure and high-temperature technology, we synthesized the pristine SnTe samples at different pressures and systemically investigated their thermoelectric properties.High pressure induces rich microstructures, including the high-density dislocations and lattice distortions, which serve as the strong phonon scattering centers, thereby reducing the lattice thermal conductivity. For the electrical properties, pressure reduces the harmful high carrier concentration, due to the depression of Sn vacancies.Moreover, pressure induces the valence band convergence, reducing the energy separation between the L and Σpositions. The band convergence and suppressed carrier concentration increase the Seebeck coefficient. Thus, the power factors of pressure-sintered compounds do not deteriorate significantly under the condition of decreasing electrical conductivity. Ultimately, for a pristine SnTe compound synthesized at 5 GPa, a higher ZT value of 0.51 is achieved at 750 K, representing a 140% improvement compared to the value of 0.21 obtained using SPS. Therefore, the high-pressure and high-temperature technology is demonstrated as an effectively approach to optimize thermoelectric performance. 展开更多
关键词 COEFFICIENT PROPERTIES POSITIONS
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