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Bidirectionally aligned MXene hybrid aerogels assembled with MXene nanosheets and microgels for supercapacitors 被引量:4
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作者 Pei-Xuan Li Guo-Zhen Guan +7 位作者 Xin Shi Lei Lu Yu-Chao Fan Jie Xu Yuan-Yuan Shang Ying-Jiu Zhang Jin-Quan Wei Feng-Mei Guo 《Rare Metals》 SCIE EI CAS CSCD 2023年第4期1249-1260,共12页
MXene nanomaterials are one of the most promising electrode material candidates for supercapacitors owing to their high conductivity,abundant surface functional groups and large surface area.However,electrodes based o... MXene nanomaterials are one of the most promising electrode material candidates for supercapacitors owing to their high conductivity,abundant surface functional groups and large surface area.However,electrodes based on MXene may result in low ion-accessible surface area and blocked ion transport pathways because of the self-restacking of MXene nanosheets.It is essential to suppress the self-res tacking of nanosheets and increase the electrochemical active sites in order to optimize the electrode.In this work,bidirectionally aligned MXene hybrid aerogel(A-MHA)assembled with MXene nanosheets and microgels is prepared using a facile bidirectional freeze casting and freeze-drying method.The bidirectionally aligned structure together with the three-dimensional structured microgels in the A-MHAs,can improve the ionaccessible surface area and provide more barrier-free channels by exposing more active sites and ensuring electrolyte transport freely.The A-MHA with MXene microgels content of 40 wt%exhibits a high specific capacitance of 760 F·g^(-1)at 1 A·g^(-1)and a remarkable cyclic performance of 97%after 10,000 cycles at100 mV·s^(-1)in 1 mol·L^(-1)H_(2)SO_(4)electrolyte.A-MHAs show remarkable electrochemical properties and are of potential application in energy storage. 展开更多
关键词 MXene MXene microgels Bidirectionally aligned structure ELECTRODES SUPERCAPACITORS
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Curtailing Carbon Usage with Addition of Functionalized NiFe2O4 Quantum Dots:Toward More Practical S Cathodes for Li-S Cells 被引量:4
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作者 Ning Li Ting Meng +5 位作者 Lai Ma Han Zhang JiaJia Yao Maowen Xu Chang Ming Li Jian Jiang 《Nano-Micro Letters》 SCIE EI CAS CSCD 2020年第11期1-12,共12页
Smartcombination of manifold carbonaceous materials with admirable functionalities(like full of pores/functional groups,high specific surface area) is still a mainstream/preferential way to address knotty issues of po... Smartcombination of manifold carbonaceous materials with admirable functionalities(like full of pores/functional groups,high specific surface area) is still a mainstream/preferential way to address knotty issues of polysulfides dissolution/shuttling and poor electrical conductivity for S-based cathodes.However,extensive use of conductive carbon fillers in cell designs/technology would induce electrolytic overconsumption and thereby shelve high-energy-density promise of Li-S cells.To cut down carbon usage,we propose the incorporation of multi-functionalized NiFe2O4 quantum dots(QDs) as affordable additive substitutes.The total carbon content can be greatly curtailed from 26%(in traditional S/C cathodes) to a low/commercial mass ratio(~5%).Particularly,note that NiFe2O4 QDs additives own superb chemisorption interactions with soluble Li2Sn molecules and proper catalytic features facilitating polysulfide phase conversions and can also strengthen charge-transfer capability/redox kinetics of overall cathode systems.Benefiting from these intrinsic properties,such hybrid cathodes demonstrate prominent rate behaviors(decent capacity retention with ~526 mAh g^-1 even at 5 A g^-1) and stable cyclic performance in LiNO3-free electrolytes(only ~0.08% capacity decay per cycle in 500 cycles at 0.2 A g^-1).This work may arouse tremendous research interest in seeking other alternative QDs and offer an economical/more applicable methodology to construct low-carbon-content electrodes for practical usage. 展开更多
关键词 Carbon usage reduction NiFe_2O_4 quantum dots Additive substitute Practical S cathode Li-S cells
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Effects of operating conditions on the performance degradation and anode microstructure evolution of anode-supported solid oxide fuel cells 被引量:5
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作者 Xin Yang Zhihong Du +5 位作者 Qian Zhang Zewei Lyu Shixue Liu Zhijing Liu Minfang Han Hailei Zhao 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2023年第6期1181-1189,共9页
Performance degradation shortens the life of solid oxide fuel cells in practical applications.Revealing the degradation mechanism is crucial for the continuous improvement of cell durability.In this work,the effects o... Performance degradation shortens the life of solid oxide fuel cells in practical applications.Revealing the degradation mechanism is crucial for the continuous improvement of cell durability.In this work,the effects of cell operating conditions on the terminal voltage and anode microstructure of a Ni-yttria-stabilized zirconia anode-supported single cell were investigated.The microstructure of the anode active area near the electrolyte was characterized by laser optical microscopy and focused ion beam-scanning electron microscopy.Ni depletion at the anode/electrolyte interface region was observed after 100 h discharge tests.In addition,the long-term stability of the single cell was evaluated at 700℃for 3000 h.After an initial decline,the anode-supported single cell exhibits good durability with a voltage decay rate of 0.72%/kh and an electrode polarization resistance decay rate of 0.17%/kh.The main performance loss of the cell originates from the initial degradation. 展开更多
关键词 solid oxide fuel cell Ni-YSZ anode focused ion beam Ni migration electrochemical performance
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Advances and challenges of methanol-tolerant oxygen reduction reaction electrocatalysts for the direct methanol fuel cell 被引量:4
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作者 Muhammad Aizaz Ud Din Muhammad Idrees +7 位作者 Sidra Jamil Syed Irfan Ghazanfar Nazir Muhammad Ahmad Mudassir Muhammad Shahrukh Saleem Saima Batool Nanpu Cheng Rahman Saidur 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第2期499-513,I0013,共16页
Methanol cross-over effects from the anode to the cathode are important parameters for reducing catalytic performance in direct methanol fuel cells.A promising candidate catalyst for the cathode in direct methanol fue... Methanol cross-over effects from the anode to the cathode are important parameters for reducing catalytic performance in direct methanol fuel cells.A promising candidate catalyst for the cathode in direct methanol fuel cells must have excellent activity toward oxygen reduction reaction and resistance to methanol oxidation reaction.This review focuses on the methanol tolerant noble metal-based electrocatalysts,including platinum and palladium-based alloys,noble metal–carbon based composites,transition metal-based catalysts,carbon-based metal catalysts,and metal-free catalysts.The understanding of the correlation between the activity and the synthesis method,electrolyte environment and stability issues are highlighted.For the transition metal-based catalyst,their activity,stability and methanol tolerance in direct methanol fuel cells and comparisons with those of platinum are particularly discussed.Finally,strategies to enhance the methanol tolerance and hinder the generation of mixed potential in direct methanol fuel cells are also presented.This review provides a perspective for future developments for the scientist in selecting suitable methanol tolerate catalyst for oxygen reduction reaction and designing high-performance practical direct methanol fuel cells. 展开更多
关键词 Oxygen reducing reaction Methanol tolerant electrocatalyst Portable power sources Direct methanol Fuel cell
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A real-time measuring technology for studying distortion of hydraulic turbine blade castings during heat treatment process 被引量:1
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作者 Yu Hailiang Kang Jinwu +3 位作者 Nie Gang Long Haimin Hao Xiaokun Huang Tianyou 《China Foundry》 SCIE CAS 2011年第3期300-304,共5页
During heat treatment process, the distortion behavior inevitably appears in hydraulic turbine blade castings. In this research, a technology was developed for real-time measurement of the distortion in hydraulic turb... During heat treatment process, the distortion behavior inevitably appears in hydraulic turbine blade castings. In this research, a technology was developed for real-time measurement of the distortion in hydraulic turbine blade castings at the still air cooling and forced air cooling stages during heat treatment process. The method was used to measure the distortion behavior at the cooling stages in both normalizing and tempering processes. At the normalization, the distortion at the blade comer near outlet side undergoes four stages with alternating bending along positive and negative directions. At the tempering stage, the distortion could be divided into two steps. The temperature difference between the two surfaces of blade casting was employed to analyze the distortion mechanism. The measured results could be applied to guide the production, and the machining allowance could be reduced by controlling the distortion behavior. 展开更多
关键词 real-time measuring DISTORTION hydraulic turbine blade casting heat treatment
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A highly sensitive colorimetric and ratiometric sensor for fluoride ion 被引量:1
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作者 ZhaoWu Xu Jin Tang He Tian 《Chinese Chemical Letters》 SCIE CAS CSCD 2008年第11期1353-1357,共5页
A new benzoimidazole-naphthalimide derivative 4 was synthesized and its photophysical properties were studied. This compound showed highly selectively and sensitive colorimetric and ratiometric sensing ability for flu... A new benzoimidazole-naphthalimide derivative 4 was synthesized and its photophysical properties were studied. This compound showed highly selectively and sensitive colorimetric and ratiometric sensing ability for fluoride anion. 展开更多
关键词 NAPHTHALIMIDE Benzoimidazole Fluoride sensor
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Sb-Cu alloy cathode with a novel lithiation mechanism of ternary intermetallic formation: Enabling high energy density and superior rate capability of liquid metal battery
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作者 Peng Chu Jie Wang +5 位作者 Hongliang Xie Qian Zhang Jiangyuan Feng Zehao Li Zhao Yang Hailei Zhao 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第3期393-400,I0011,共9页
Antimony(Sb) is an attractive cathode for liquid metal batteries(LMBs) because of its high theoretical voltage and low cost.The main obstacles associated with the Sb-based cathodes are unsatisfactory energy density an... Antimony(Sb) is an attractive cathode for liquid metal batteries(LMBs) because of its high theoretical voltage and low cost.The main obstacles associated with the Sb-based cathodes are unsatisfactory energy density and poor rate-capability.Herein,we propose a novel Sb_(64)Cu_(36)cathode that effectively tackles these issues.The Sb_(64)Cu_(36)(melting point:525℃) cathode presents a novel lithiation mechanism involving sequentially the generation of Li_(2)CuSb,the formation of Li_(3)Sb,and the conversion reaction of Li_(2)CuSb to Li_(3)Sb and Cu.The generated intermetallic compounds show a unique microstructure of the upper floated Li_(2)CuSb layer and the below cross-linked structure with interpenetrated Li_(2)CuSb and Li_(3)Sb phases.Compared with Li_(3)Sb,the lower Li migration energy barrier(0.188 eV) of Li_(2)CuSb significantly facilitates the lithium diffusion across the intermediate compounds and accelerates the reaction kinetics.Consequently,the Li‖Sb_(64)Cu_(36)cell delivers a more excellent electrochemical performance(energy density:353 W h kg^(-1)at 0.4 A cm^(-2);rate capability:0.59 V at 2.0 A cm^(-2)),and a much lower energy storage cost of only 38.45 $ kW h^(-1)than other previously reported Sb-based LMBs.This work provides a novel cathode design concept for the development of high-performance LMBs in applications for large-scale energy storage. 展开更多
关键词 Liquid metal battery Energy density Rate capability Low cost Sb_(64)Cu_(36)cathode
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A distinctive conversion mechanism for reversible zinc ion storage
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作者 Yandong Ma Yuruo Qi +3 位作者 Yubin Niu Yijun Liu Shujuan Bao Maowen Xu 《Inorganic Chemistry Frontiers》 2022年第11期2706-2713,共8页
For a long time,in aqueous zinc-ion batteries,the intercalation/extraction chemistry of Zn2+/H+has been considered as the primary energy storage mechanism in vanadium-based compounds.Herein,we observed an interesting ... For a long time,in aqueous zinc-ion batteries,the intercalation/extraction chemistry of Zn2+/H+has been considered as the primary energy storage mechanism in vanadium-based compounds.Herein,we observed an interesting phase transition of V_(2)O_(3) to V_(2)O_(5)·3H_(2)O under high-voltage conditions.The reconstructed phase(V_(2)O_(5)·3H_(2)O)displays an improved specific capacity of 472.4 mA h g^(-1),about 5 times larger than that of the original compound(V_(2)O_(3)).What’s more,the electrode exhibits a highly reversible conversion reaction between V_(2)O_(5)·3H_(2)O and Zn_(3)V_(2)O_(7)(OH)_(2)·2H_(2)O(ZVO)during the charge/discharge process,showing an excellent rate capability and cycling stability.The findings also confirm the electrochemical activity of ZVO,which has generally been considered to be an inactive by-product.This energy storage mechanism,different from the previously reported intercalation chemistry,offers a new insight to understand the electrochemical behavior of V-based electrode materials. 展开更多
关键词 electrochemical activity intercalation extraction chemistry energy storage mechanism rate capability V O H O V O phase transition zinc ion storage
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Tessellated N-doped carbon/CoSe_(2)as trap-catalyst sulfur hosts for room-temperature sodium–sulfur batteries
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作者 Hao Wang Yuruo Qi +4 位作者 Fangyuan Xiao Pan Liu Yi Li Shu-juan Bao Maowen Xu 《Inorganic Chemistry Frontiers》 2022年第8期1743-1751,共9页
The construction of highly conductive structures with excellent adsorption–catalytic properties to accelerate electron transfer and suppress polysulfide shuttle is considered as an effective strategy to achieve well-... The construction of highly conductive structures with excellent adsorption–catalytic properties to accelerate electron transfer and suppress polysulfide shuttle is considered as an effective strategy to achieve well-performing sodium–sulfur batteries.Herein,a self-supported tessellated N-doped carbon/CoSe_(2)(NCCS)is developed as a sulfur host for sodium–sulfur batteries by a simple deposition–selenization of lyophilized bacterial cellulose(BC),where NC acts as a conductive network to ensure the rapid initiation of efficient catalytic reactions at the tessellated CoSe_(2)interface and maintain good structural stability. 展开更多
关键词 rapid initiat sulfur host lyophilized bacterial cellulose bc where construction highly conductive structures conductive network sodium sulfur batterieshereina polysulfide shuttle sodium sulfur batteries
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An MXene-based aerogel with cobalt nanoparticles as an efficient sulfur host for room-temperature Na–S batteries
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作者 Qiuju Yang Tingting Yang +5 位作者 Wei Gao Yuruo Qi Bingshu Guo Wei Zhong Jian Jiang Maowen Xu 《Inorganic Chemistry Frontiers》 2020年第22期4396-4403,共8页
High energy density room temperature sodium–sulfur(RT Na–S)batteries are receiving increasing attention as promising energy storage systems.However,the volume expansion of sulfur and the shuttle effect of polysulfid... High energy density room temperature sodium–sulfur(RT Na–S)batteries are receiving increasing attention as promising energy storage systems.However,the volume expansion of sulfur and the shuttle effect of polysulfides are the biggest obstacles to their development.In this study,a 3D porous aerogel(hybridized by Ti_(3)C_(2)T_(x)MXene and rGO)adhered with cobalt nanoparticles(MG-Co)is applied to RT Na–S batteries. 展开更多
关键词 shuttle effect D porous aerogel Reduced graphene oxide rGO energy storage d porous aerogel hybridized volume expansion cobalt nanoparticles mg co Ti C Tx MXene
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A Prussian blue analogue as a long-life cathode for liquid-state and solid-state sodium-ion batteries
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作者 Tianbei Huang Guangyuan Du +5 位作者 Yuruo Qi Jie Li Wei Zhong Qiuju Yang Xuan Zhang Maowen Xu 《Inorganic Chemistry Frontiers》 2020年第20期3938-3944,共7页
Prussian blue analogues(PBAs)as a kind of promising cathode material for sodium-ion batteries(SIBs)have attracted much attention due to their low price and open three-dimensional(3D)channel structure.Here,a facile wet... Prussian blue analogues(PBAs)as a kind of promising cathode material for sodium-ion batteries(SIBs)have attracted much attention due to their low price and open three-dimensional(3D)channel structure.Here,a facile wet-chemical method is used to synthesize a nano-sized NiFe-PBA compound.The as-syn thesized NiFe-PBA not only exhibits good structural stability but also demonstrates impressive electro chemical performance when it is used as a cathode in SIBs.Both liquid-state and solid-state sodium-ion batteries(SSIBs)demonstrate excellent cycling stability with a capacity retention of 85.8%and 86.7%,respectively,after 1120 cycles. 展开更多
关键词 solid state sodium ion batteries prussian blue analogues pbas cathode material prussian blue analogue electro chemical performance liquid state sodium ion batteries nano sized NiFe PBA cycling stability
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High-yield production of 2,5-dimethylfuran from 5-hydroxymethylfurfural over carbon supported Ni–Co bimetallic catalyst 被引量:7
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作者 Panpan Yang Qineng Xia +1 位作者 Xiaohui Liu Yanqin Wang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2016年第6期1015-1020,共6页
The catalytic conversion of 5-hydroxymethylfurfural (HMF) to 2,5-dimethylfuran (DMF) has attracted extensive research interests because DMF can be used as potential and competitive renewable transportation fuel or add... The catalytic conversion of 5-hydroxymethylfurfural (HMF) to 2,5-dimethylfuran (DMF) has attracted extensive research interests because DMF can be used as potential and competitive renewable transportation fuel or additives. Here we report a non-noble bimetallic catalyst with improved activity for hydrogenation and hydrogenolysis by introducing active carbon as support into a nickel–cobalt catalyst. The characterizations of the catalyst indicate that the Ni and Co species are uniformly dispersed on the active carbon through the wetness impregnation method. The influences of reaction temperature and hydrogen pressure are systematically investigated and an excellent yield (up to 95%) of DMF can be obtained at relatively mild conditions, 130 °C and 1 MPa H2, over the carbon supported Ni–Co bimetallic catalyst. The high catalytic activity originates from the synergistic effect between Ni and CoOxspecies, the high BET surface area of the catalyst, and the uniform dispersion of Ni and Co species on the active carbon. The catalyst could be reused for 5 times without loss of activity in a batch reactor. Futhermore, the conversion of HMF to DMF on a fixed-bed reactor was also investigated and the 2%Ni–20%Co/C catalyst exhibited an excellent yield to DMF (>90%) for 71 h time on stream, indicating the high activity and stability of the catalyst. © 2016 Science Press 展开更多
关键词 Batch reactors BIOMASS CATALYSTS Chemical reactors Cobalt compounds Fuel additives HYDROGENOLYSIS HYDROLYSIS NICKEL
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Application of inverse method to estimation of boundary conditions during investment casting simulation 被引量:5
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作者 Haipeng JIN Jiarong LI Dong PAN 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2009年第6期429-434,共6页
Inverse method was used in single crystal superalloy DD6 processing simulation during solidification. Numerical modeling coupled with experiments has been used to estimate the interface heat transfer coefficient (IHT... Inverse method was used in single crystal superalloy DD6 processing simulation during solidification. Numerical modeling coupled with experiments has been used to estimate the interface heat transfer coefficient (IHTC) between the surface of slab casting and inner mold. Calculated temperature dependent values of IHTC were obtained from a numerical solution. The calculated temperatures agreed well with the measurement of cooling profile. 展开更多
关键词 Numerical simulation Single crystal Inverse method Boundary conditions
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Effects of water on CO catalytic oxidation over Pd/CeO2 被引量:3
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作者 Shaofei Song Cheng Zhang +5 位作者 Yake Lou Yujin Wu Li Wang Yanglong Guo Wangcheng Zhan Yun Guo 《Journal of Rare Earths》 SCIE EI CAS CSCD 2020年第8期891-898,I0003,共9页
The role of water in CO oxidation was investigated on Pd/CeO2 with different morphologies(rods(R),cubes(C)and octahedrons(O)).Compared with the absence of water,CO oxidation activity increases 2 times in the presence ... The role of water in CO oxidation was investigated on Pd/CeO2 with different morphologies(rods(R),cubes(C)and octahedrons(O)).Compared with the absence of water,CO oxidation activity increases 2 times in the presence of water on Pd/CeO2-C;but a decrease is found on Pd/CeO2-R.Catalyst characterization reveals that Pd is mainly in the form of solid solution(PdxCe1-xO2-σ)on Pd/CeO2-R and a mixture of metal and PdxCe1-xO2-σsolid solution on Pd/CeO2-C.The strong interaction between Pd and CeO2-R results in the form of stable bidentate carbonates species;while the relatively weak interaction between Pd and CeO2-C leads to the produce of unstable monodentate carbonates species.The effects of water on CO oxidation activity closely relate with the Pd chemical state and the types of carbonates species.Water restrains CO adsorption on PdxCe1-xO2-σsolid solution,but it has negligent effects on metallic Pd species.In the presence of water,bidentate carbonates species remains stable but the decrease in the amount of monodentate carbonates species is observed. 展开更多
关键词 CO oxidation Pd catalyst Support morphology WATER Rare earths
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Effects of Heat Treatments on Microstructures and Precipitation Behaviour of Mg_(94)Y_4Zn_2 Extruded Alloy 被引量:2
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作者 Huan Liu Feng Xue +2 位作者 Jing Bai Jian Zhou Yangshan Sun 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2014年第2期128-133,共6页
Microstructures and precipitation behaviours of Mg94Y4Zn2 (at. %) extruded alloy during solution treatment and ageing processes were investigated. Three major phases were observed in the as-cast Ug94Zn2Y4 alloy:α-... Microstructures and precipitation behaviours of Mg94Y4Zn2 (at. %) extruded alloy during solution treatment and ageing processes were investigated. Three major phases were observed in the as-cast Ug94Zn2Y4 alloy:α-Mg, block shaped 1 8R long period stacking ordered (LPSO) phase and Mg24Y5 cuboid particles. After homogenization and extrusion, the block shaped LPSO phase changed into plate-like shape aligned along the direction of extrusion. During solution treatment, a small fraction of LPSO phase was transformed from 18R structure to 14H type. The nano-scale β' phase with its close-packed planes being perpendicular to the direction of both α-Mg and LPSO structure was precipitated at ageing stage. The coexistence of β' and LPSO phase contributes to the strengthening of the alloy, with microhardness for the matrix and LPSO structures reaching 145.8 and 155,0 HV, respectively. 展开更多
关键词 Heat treatment Microstructure Precipitation behaviour Mg94Y4Zn2 alloy Long period stacking ordered structure
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Effects of Heat-treatment Temperature on Eu^(3+) and Li^+ Co-doped ZnO Photoluminescence by Sol-gel Process 被引量:1
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作者 卢忠远 HE +5 位作者 Fangfang 许丕池 TENG Yuancheng WANG Bing 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2008年第1期20-23,共4页
The photoluminescence (PL) characteristics of Eu^3+ and Li^+ co-doped ZnO PL materials against heat-treatment temperature were discussed. The PL xerogel and powder samples were prepared by solgel process. The emis... The photoluminescence (PL) characteristics of Eu^3+ and Li^+ co-doped ZnO PL materials against heat-treatment temperature were discussed. The PL xerogel and powder samples were prepared by solgel process. The emission spectra of all samples showed two broad bands peaking at 590 nm and 620 nm under UV-Vis excitation. But the relative intensity of red PL (620 nm) was much greater than that of green PL (590 nm) of the same sample, that s to say, the red color was the main luminescence. With heat-treatment temperature increase, the two kinds of colors PL intensity decreased, and both the red and green PL intensity of the xerogel samples was much greater than those of powder samples respectively. The XRD patterns revealed that Eu^3+ ions were successfully incorporated in ZnO crystals in xerogel samples. When heat-treatment temperature reached 350 ℃, the Eu^3+ began to separate out of the ZnO crystals and Eu2O3 crystals came into being. When the powder sample was subjected to UV-Vis excitation, the energy transfered from the host ZnO emission to Eu^3+ became weaker than the xerogel sample. 展开更多
关键词 PHOTOLUMINESCENCE Eu^3+ and Li^+ co-doped ZnO UV-Vis excitation xerogel powder
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Active learning for the power factor prediction in diamond-like thermoelectric materials 被引量:3
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作者 Sheng Yasong Wu +3 位作者 Jiong Yang Wencong Lu Pierre Villars Wenqing Zhang 《npj Computational Materials》 SCIE EI CSCD 2020年第1期254-260,共7页
The Materials Genome Initiative requires the crossing of material calculations,machine learning,and experiments to accelerate the material development process.In recent years,data-based methods have been applied to th... The Materials Genome Initiative requires the crossing of material calculations,machine learning,and experiments to accelerate the material development process.In recent years,data-based methods have been applied to the thermoelectric field,mostly on the transport properties.In this work,we combined data-driven machine learning and first-principles automated calculations into an active learning loop,in order to predict the p-type power factors(PFs)of diamond-like pnictides and chalcogenides.Our active learning loop contains two procedures(1)based on a high-throughput theoretical database,machine learning methods are employed to select potential candidates and(2)computational verification is applied to these candidates about their transport properties.The verification data will be added into the database to improve the extrapolation abilities of the machine learning models.Different strategies of selecting candidates have been tested,finally the Gradient Boosting Regression model of Query by Committee strategy has the highest extrapolation accuracy(the Pearson R=0.95 on untrained systems).Based on the prediction from the machine learning models,binary pnictides,vacancy,and small atom-containing chalcogenides are predicted to have large PFs.The bonding analysis reveals that the alterations of anionic bonding networks due to small atoms are beneficial to the PFs in these compounds. 展开更多
关键词 LEARNING BONDING PREDICTION
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Minimizing Carbon Content with Three-in-One Functionalized Nano Conductive Ceramics:Toward More Practical and Safer S Cathodes of Li-S Cells 被引量:1
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作者 Ning Li Chang Sun +5 位作者 Jianhui Zhu Shun Li Yanlong Wang Maowen Xu Changming Li Jian Jiang 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2023年第3期31-39,共9页
Using porous carbon hosts in cathodes of Li-S cells can disperse S actives and offset their poor electrical conductivity.However,such reservoirs would in turn absorb excess electrolyte solvents to S-unfilled regions,c... Using porous carbon hosts in cathodes of Li-S cells can disperse S actives and offset their poor electrical conductivity.However,such reservoirs would in turn absorb excess electrolyte solvents to S-unfilled regions,causing the electrolyte overconsumption,specific energy decline,and even safety hazards for battery devices.To build better cathodes,we propose to substitute carbons by In-doped SnO_(2)(ITO)nano ceramics that own three-in-one functionalities:1)using conductive ITO enables minimizing the total carbon content to an extremely low mass ratio(~3%)in cathodes,elevating the electrode tap density and averting the electrolyte overuse;2)polar ITO nanoclusters can serve as robust anchors toward Li polysulfide(LiPS)by electrostatic adsorption or chemical bond interactions;3)they offer catalysis centers for liquid–solid phase conversions of S-based actives.Also,such ceramics are intrinsically nonflammable,preventing S cathodes away from thermal runaway or explosion.These merits entail our configured cathodes with high tap density(1.54 g cm^(−3)),less electrolyte usage,good security for flame retardance,and decent Li-storage behaviors.With lean and LiNO_(3)-free electrolyte,packed full cells exhibit excellent redox kinetics,suppressed LiPS shuttling,and excellent cyclability.This may trigger great research enthusiasm in rational design of low-carbon and safer S cathodes. 展开更多
关键词 flame retardance Li-S cells minimized carbon ratio nano conductive ceramics three-in-one functionality
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High Efficient Tunable Fractal Axicon Based on LCoS
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作者 王昕 戴海涛 徐克璹 《Chinese Physics Letters》 SCIE CAS CSCD 2008年第3期985-988,共4页
Based on the Cantor function and phase modulation, a tunable fractal axicon is formed on a liquid crystal on silicon (LCoS) with an improved generating method. It has higher focusing efficiency in higher fractal sta... Based on the Cantor function and phase modulation, a tunable fractal axicon is formed on a liquid crystal on silicon (LCoS) with an improved generating method. It has higher focusing efficiency in higher fractal stage and approaches to 100% theoretically. The on-axis intensity keeps its fractal structure unchanged in operation of fractal stages. The tunability of the axicon is demonstrated by tune fractal stage from 1 to 3 and focal length from 0.8 m to 1 m. We also provide details of theoretical analyses and experimental results. 展开更多
关键词 LIQUID-CRYSTAL SILICON LENS
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Effects of silver-doping on properties of Cu(In,Ga)Se_(2) films prepared by Cu In Ga precursors
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作者 Chen Wang Daming Zhuang +5 位作者 Ming Zhao Yuxian Li Liangzheng Dong Hanpeng Wang Jinquan Wei Qianming Gong 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2022年第3期218-225,I0007,共9页
The AgCuInGa alloy precursors with different Ag concentrations are fabricated by sputtering an Ag target and a CuInGa target.The precursors are selenized in the H_(2)Se-containing atmosphere to prepare(Ag,Cu)(In,Ga)Se... The AgCuInGa alloy precursors with different Ag concentrations are fabricated by sputtering an Ag target and a CuInGa target.The precursors are selenized in the H_(2)Se-containing atmosphere to prepare(Ag,Cu)(In,Ga)Se_(2)(ACIGS)absorbers.The beneficial effects of Ag doping are demonstrated and their mechanism is explained.It is found that Ag doping significantly improves the films crystallinity.This is believed to be due to the lower melting point of chalcopyrite phase obtained by the Ag doping.This leads to a higher migration ability of the atoms that in turn promotes grain boundary migration and improves the film crystallinity.The Ga enrichment at the interface between the absorber and the back electrode is also alleviated during the selenization annealing.It is found that Ag doping within a specific range can passivate the band tail and improve the quality of the films.Therefore,carrier recombination is reduced and carrier transport is improved.The negative effects of excessive Ag are also demonstrated and their origin is revealed.Because the atomic size of Ag is different from that of Cu,for the Ag/(Ag+Cu)ratio(AAC)≥0.030,lattice distortion is aggravated,and significant micro-strain appears.The atomic radius of Ag is close to those of In and Ga,so that the continued increase in AAC will give rise to the Ag;or Ag;defects.Both the structural and compositional defects degrade the quality of the absorbers and the device performance.An excellent absorber can be obtained at AAC of 0.015. 展开更多
关键词 CIGS solar cell Ag doping SELENIZATION SPUTTERING Cu-Ag-In-Ga precursor Defects
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