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Surface Metallization of Glass Fiber(GF)/Polyetheretherketone(PEEK) Composite with Cu Coatings Deposited by Magnetron Sputtering and Electroplating
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作者 钟利 金凡亚 +2 位作者 朱剑豪 TONG Honghui DAN Min 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第1期213-220,共8页
Surface metallization of glass fiber(GF)/polyetheretherketone(PEEK)[GF/PEEK] is conducted by coating copper using electroplating and magnetron sputtering and the properties are determined by X-ray diffraction(XRD), sc... Surface metallization of glass fiber(GF)/polyetheretherketone(PEEK)[GF/PEEK] is conducted by coating copper using electroplating and magnetron sputtering and the properties are determined by X-ray diffraction(XRD), scanning electron microscopy(SEM), and electron backscatter diffraction(EBSD).The coating bonding strength is assessed by pull-out tests and scribing in accordance with GB/T 9286-1998.The results show that the Cu coating with a thickness of 30 μm deposited on GF/PEEK by magnetron sputtering has lower roughness, finer grain size, higher crystallinity, as well as better macroscopic compressive stress,bonding strength, and electrical conductivity than the Cu coating deposited by electroplating. 展开更多
关键词 surface metallization Cu coating magnetron sputtering ELECTROPLATING
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Templated synthesis of transition metal phosphide electrocatalysts for oxygen and hydrogen evolution reactions 被引量:1
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作者 Rose Anne Acedera Alicia Theresse Dumlao +4 位作者 DJ Donn Matienzo Maricor Divinagracia Julie Anne del Rosario Paraggua Po-Ya Abel Chuang Joey Ocon 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第2期646-669,I0014,共25页
Transition metal phosphides(TMPs)have been regarded as alternative hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)catalysts owing to their comparable activity to those of noble metal-based catalysts... Transition metal phosphides(TMPs)have been regarded as alternative hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)catalysts owing to their comparable activity to those of noble metal-based catalysts.TMPs have been produced in various morphologies,including hollow and porous nanostructures,which are features deemed desirable for electrocatalytic materials.Templated synthesis routes are often responsible for such morphologies.This paper reviews the latest advances and existing challenges in the synthesis of TMP-based OER and HER catalysts through templated methods.A comprehensive review of the structure-property-performance of TMP-based HER and OER catalysts prepared using different templates is presented.The discussion proceeds according to application,first by HER and further divided among the types of templates used-from hard templates,sacrificial templates,and soft templates to the emerging dynamic hydrogen bubble template.OER catalysts are then reviewed and grouped according to their morphology.Finally,prospective research directions for the synthesis of hollow and porous TMP-based catalysts,such as improvements on both activity and stability of TMPs,design of environmentally benign templates and processes,and analysis of the reaction mechanism through advanced material characterization techniques and theoretical calculations,are suggested. 展开更多
关键词 OER HER Transition metal phosphide Templated synthesis ELECTROCATALYSTS
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Microstructure and thermal properties of dissimilar M300–CuCr1Zr alloys by multi-material laser-based powder bed fusion 被引量:1
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作者 Xiaoshuang Li Dmitry Sukhomlinov Zaiqing Que 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CSCD 2024年第1期118-128,共11页
Multi-material laser-based powder bed fusion (PBF-LB) allows manufacturing of parts with 3-dimensional gradient and additional functionality in a single step. This research focuses on the combination of thermally-cond... Multi-material laser-based powder bed fusion (PBF-LB) allows manufacturing of parts with 3-dimensional gradient and additional functionality in a single step. This research focuses on the combination of thermally-conductive CuCr1Zr with hard M300 tool steel.Two interface configurations of M300 on CuCr1Zr and CuCr1Zr on M300 were investigated. Ultra-fine grains form at the interface due to the low mutual solubility of Cu and steel. The material mixing zone size is dependent on the configurations and tunable in the range of0.1–0.3 mm by introducing a separate set of parameters for the interface layers. Microcracks and pores mainly occur in the transition zone.Regardless of these defects, the thermal diffusivity of bimetallic parts with 50vol% of CuCr1Zr significantly increases by 70%–150%compared to pure M300. The thermal diffusivity of CuCr1Zr and the hardness of M300 steel can be enhanced simultaneously by applying the aging heat treatment. 展开更多
关键词 multi-material additive manufacturing laser-based powder bed fusion thermal diffusivity dissimilar metals copper alloy
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New insights on the high-corrosion resistance of UHP Mg-Ge alloys tested in a simulated physiological environment 被引量:1
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作者 Ting Liu Xingrui Chen +4 位作者 Jeffrey Venezuela Yuan Wang Zhiming Shi Wenyi Chen Matthew Dargusch 《Journal of Magnesium and Alloys》 SCIE EI CAS CSCD 2024年第3期1026-1044,共19页
UHP Mg-Ge alloys was recently found to provide excellent corrosion resistance.This paper provides new insights on the mechanism of improved corrosion resistance of UHP Mg-Ge alloys in Hanks’solution.The studied UHP M... UHP Mg-Ge alloys was recently found to provide excellent corrosion resistance.This paper provides new insights on the mechanism of improved corrosion resistance of UHP Mg-Ge alloys in Hanks’solution.The studied UHP Mg-0.5Ge and UHP Mg-1Ge alloys showed superior corrosion resistance compared to UHP Mg and WE43,with the Mg-1Ge exhibiting the best corrosion performance.The exceptional corrosion resistance of the UHP alloy is attributed to(i)Mg_(2)Ge’s ability to suppress cathodic kinetics,(ii)Ge’s capability to accelerate the formation of a highly passive layer,and the(iii)low amounts of corrosion-accelerating impurities. 展开更多
关键词 UHP Mg-Ge alloy Cathodic kinetics suppression Biodegradable metals In vitro corrosion Magnesium corrosion.
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A Review on Engineering Transition Metal Compound Catalysts to Accelerate the Redox Kinetics of Sulfur Cathodes for Lithium–Sulfur Batteries
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作者 Liping Chen Guiqiang Cao +8 位作者 Yong Li Guannan Zu Ruixian Duan Yang Bai Kaiyu Xue Yonghong Fu Yunhua Xu Juan Wang Xifei Li 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第5期300-332,共33页
Engineering transition metal compounds(TMCs)catalysts with excellent adsorption-catalytic ability has been one of the most effec-tive strategies to accelerate the redox kinetics of sulfur cathodes.Herein,this review f... Engineering transition metal compounds(TMCs)catalysts with excellent adsorption-catalytic ability has been one of the most effec-tive strategies to accelerate the redox kinetics of sulfur cathodes.Herein,this review focuses on engineering TMCs catalysts by cation doping/anion doping/dual doping,bimetallic/bi-anionic TMCs,and TMCs-based heterostructure composites.It is obvious that introducing cations/anions to TMCs or constructing heterostructure can boost adsorption-catalytic capacity by regulating the electronic structure including energy band,d/p-band center,electron filling,and valence state.Moreover,the elec-tronic structure of doped/dual-ionic TMCs are adjusted by inducing ions with different electronegativity,electron filling,and ion radius,resulting in electron redistribution,bonds reconstruction,induced vacancies due to the electronic interaction and changed crystal structure such as lat-tice spacing and lattice distortion.Different from the aforementioned two strategies,heterostructures are constructed by two types of TMCs with different Fermi energy levels,which causes built-in electric field and electrons transfer through the interface,and induces electron redistribution and arranged local atoms to regulate the electronic structure.Additionally,the lacking studies of the three strategies to comprehensively regulate electronic structure for improving catalytic performance are pointed out.It is believed that this review can guide the design of advanced TMCs catalysts for boosting redox of lithium sulfur batteries. 展开更多
关键词 Lithium–sulfur battery Redox kinetic Transition metal compounds catalyst Multiple metals/anions
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Preparation and characterization of pH-responsive metal-polyphenol structure coated nanoparticles
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作者 Qile Xia Yan Liang +2 位作者 Ailing Cao Yan Cao Luyun Cai 《Food Science and Human Wellness》 SCIE CSCD 2024年第3期1303-1310,共8页
In this paper,tannic acid(TA)and Fe~(3+)were added to form a layer of metal-polyphenol network structure on the surface of the nanoparticles which were fabricated by zein and carbon quantum dots(CQDs)encapsulating phl... In this paper,tannic acid(TA)and Fe~(3+)were added to form a layer of metal-polyphenol network structure on the surface of the nanoparticles which were fabricated by zein and carbon quantum dots(CQDs)encapsulating phlorotannins(PTN).pH-Responsive nanoparticles were prepared successfully(zein-PTN-CQDs-Fe-~Ⅲ).Further,the formation of composite nanoparticles was confirmed by a series of characterization methods.The zeta-potential and Fourier transform infrared spectroscopy data proved that electrostatic interaction and hydrogen bonding are dominant forces to form nanoparticles.The encapsulation efficiency(EE)revealed that metal-polyphenol network structure could improve the EE of PTN.Thermogravimetric analysis and differential scanning calorimetry experiment indicated the thermal stability of zein-PTN-CQDs-Fe~Ⅲnanoparticles increased because of metal-polyphenol network structure.The pH-responsive nanoparticles greatly increased the release rate of active substances and achieved targeted release. 展开更多
关键词 METAL PHLOROTANNINS NANOpartICLES PH-RESPONSIVE CHARACTERIZATION
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Microplastics in sediment of the Three Gorges Reservoir:abundance and characteristics under different environmental conditions
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作者 Wang LI Bo ZU +2 位作者 Yiwei LIU Juncheng GUO Jiawen LI 《Journal of Oceanology and Limnology》 SCIE CAS CSCD 2024年第1期101-112,共12页
Freshwater microplastic pollution is an urgent issue of global concern,and research on the distribution in reservoirs is lacking.We investigated the microplastic pollution levels in wet sediments collected from the Th... Freshwater microplastic pollution is an urgent issue of global concern,and research on the distribution in reservoirs is lacking.We investigated the microplastic pollution levels in wet sediments collected from the Three Gorges Reservoir,the largest reservoir of China.Results show that microplastics were ubiquitous in the sediments of the Three Gorges Reservoir,and their abundance ranged from 59 to 276 pp/kg(plastic particles per kg,dry weight).Economic development and total population were important factors affecting the spatial heterogeneity of microplastic abundance,and the contribution of large cities along the reservoir to microplastic pollution should be paid with more attention.Fibrous microplastics were the most abundant type of microplastic particles in reservoir sediments,whereas polystyrene,polypropylene,and polyamide were the main types of polymers.The apparent spatial heterogeneity in morphology and color of microplastics is attributed to different anthropogenic or landbased pollution sources.Moreover,the accumulation of microplastics near the inlet of tributaries reflects the role of potential contributors of tributaries.More importantly,multiple bisphenols(BPs)and heavy metals detected at the microplastic surfaces indicate that microplastics can act as carriers of these pollutants in the environment in the same way as sediments did,which may alter the environmental fate and toxicity of these pollutants.Therefore,we conclude that the Three Gorges Reservoir had been contaminated with microplastics,which posed a stress risk for organisms who ingest them along with their associated pollutants(BPs,heavy metals). 展开更多
关键词 microplastics Three Gorges Reservoir SEDIMENT BISPHENOL heavy metal
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Experimental constraints on the formation of oxychlorine species by UV irradiation and mechanical pulverization on the lunar surface
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作者 Jiamei Li Yu-Yan Sara Zhao +4 位作者 He Cui Shuai-Yi Qu Yanhua Peng Yuhong Yang Xiongyao Li 《Acta Geochimica》 EI CAS CSCD 2024年第4期625-637,共13页
Perchlorate and chlorate are present in various extraterrestrial celestial bodies throughout the solar system,such as Mars,the moon,and asteroids.To date,the origin mechanisms of perchlorate and chlorate on the Martia... Perchlorate and chlorate are present in various extraterrestrial celestial bodies throughout the solar system,such as Mars,the moon,and asteroids.To date,the origin mechanisms of perchlorate and chlorate on the Martian surface have been well-established;however,relatively little attention has been cast to airless bodies.Here,we experimentally investigated the potential oxidation mechanisms of chloride to chlorate and perchlorate,such as ultraviolet irradiation under H_(2)O-and O_(2)-free conditions and mechanical pulverization processes.Individual minerals,olivine,pyroxene,ilmenite,magnetite,TiO_(2)and anhydrous ferric sulfate,and lunar regolith simulants(low Ti,CLRS-1;high-Ti,CLRS-2)and their metallic iron(Fe^( 0))bearing counterparts were examined.We found that pulverization of dry matrix material-halite mixtures,even in the presence of O_(2),does not necessarily lead to perchlorate and chlorate formation without involving water.Under photocatalytic and H_(2)O and O_(2)-free conditions,olivine and pyroxene can produce oxychlorine(ClO_(x)^(−))species,although the yields were orders of magnitude lower than those under Martian-relevant conditions.Nanophase-Fe^(0)particles in the lunar regolith and the common photocatalyst TiO_(2)can facilitate the ClO_(x)^(−)formation,but their yields were lower than those with olivine.The oxides ilmenite and magnetite did not efficiently contribute to ClO_(x)^(−)production.Our results highlight the critical role of H_(2)O in the oxidation chloride to chlorate and perchlorate,and provide essential insights into the environmental influence on the formation of oxychlorine species on different celestial bodies. 展开更多
关键词 PERCHLORATE CHLORATE Lunar regolith Metallic Fe Airless bodies
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Characterization of Nutrients,Heavy Metals,Petroleum and Their Impact on Phytoplankton in Laizhou Bay:Implications for Environmental Management and Monitoring
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作者 WANG Kai ZHAO Linlin +3 位作者 ZHU Yugui YANG Liqiang WANG Yunfeng HONG Xuguang 《Journal of Ocean University of China》 SCIE CAS CSCD 2024年第3期822-834,共13页
The Laizhou Bay(LB)represents a substantial ecological area that is vulnerable to human activities and confronts diverse environmental challenges.This study provides a comprehensive characterization of nutrients,petro... The Laizhou Bay(LB)represents a substantial ecological area that is vulnerable to human activities and confronts diverse environmental challenges.This study provides a comprehensive characterization of nutrients,petroleum,heavy metals,and phytoplankton community structure across seven distinct areas in LB.The results indicate relatively high concentrations of NO_(2)-N,SiO_(4)-Si,and NO_(3)-N in the Southwest Laizhou Bay(SWLB)and Huanghe River Estuary(HRE).In contrast,the East Laizhou bay(ELB)and the North of Huanghe River Estuary(NHRE)exhibit the highest concentrations of heavy metals(As,Cr and Hg).The areas with high phytoplankton density and community diversity are mainly located in the SWLB.After adjusting for basic environmental factors,phytoplankton density and Margalef richness index D are significantly associated with nutrients(NO_(3)-N,NO_(2)-N,NH_(4)-N,SiO_(4)-Si),and heavy metal(Cr)concentrations.We highlight that,in addition to Xiaoqinghe River,nutrients brought by the Mihe River in the SWLB and heavy metal(Cr)pollution in the ELB resulting from industrial and mining activities along the coast significantly influence phytoplankton growth and community structure.Therefore,it is recommended that more monitoring and management efforts be focused on these regions in the future. 展开更多
关键词 Huanghe River Estuary Laizhou Bay NUTRIENTS heavy metals PHYTOPLANKTON BIODIVERSITY
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Efficiency and effectiveness of systems for the treatment of domestic wastewater based on subsurface flow constructed wetlands in Jarabacoa, Dominican Republic
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作者 Yvelisse Pérez Enmanuel Vargas +3 位作者 Daniel Garcia-Cortes William Hernandez Humberto Checo Ulises Jauregui-Haza 《Water Science and Engineering》 EI CAS CSCD 2024年第2期118-128,共11页
Constructed wetlands(CwW)are well known nature-based systems for water treatment.This study evaluated the efficiency and effectiveness of seven domestic wastewater treatment systems based on horizontal flow CWs in Jar... Constructed wetlands(CwW)are well known nature-based systems for water treatment.This study evaluated the efficiency and effectiveness of seven domestic wastewater treatment systems based on horizontal flow CWs in Jarabacoa,the Dominican Republic.The results showed that the CWs were efficient in reducing the degree of contamination of wastewater to levels below the Dominican wastewater discharge standards for parameters such as the 5-day biochemical oxygen demand(BOD5)and chemical oxygen demand,but not for the removal of phosphorus and fecal coliforms.In addition,a horizontal flow subsurface wetland in the peri-urban area El Dorado was evaluated in terms of the performance of wastewater treatment in tropical climatic conditions.The concentrations of heavy metals,such as zinc,copper,chromium,and iron,were found to decrease in the effluent of the wetland,and the concentrations for nickel and manganese tended to increase.The levels of heavy metals in the effluent were lower than the limit values of the Dominican wastewater discharge standards.The construction cost of these facilities was around 200 USD per population equivalent,similar to the cost in other countries in the same region.This study suggested some solutions to the improved performance of CWs:selection of a microbial flora that guarantees the reduction of nitrates and nitrites to molecular nitrogen,use of endemic plants that bioaccumulate heavy metals,combination of constructed wetlands with filtration on activated carbon,and inclusion of water purification processes that allow to evaluate the reuse of treated water. 展开更多
关键词 Domestic wastewater Constructed wetland BOD COD PATHOGENS Heavy metals
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High-silica faujasite zeolite-tailored metal encapsulation for the low-temperature production of pentanoic biofuels
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作者 Wenhao Cui Yuanshuai Liu +11 位作者 Pengfei Guo Zhijie Wu Liqun Kang Huawei Geng Shengqi Chu Linying Wang Dong Fan Zhenghao Jia Haifeng Qi Wenhao Luo Peng Tian Zhongmin Liu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期552-560,I0012,共10页
Zeolite-encapsulated metal nanoclusters are at the heart of bifunctional catalysts,which hold great potential for petrochemical conversion and the emerging sustainable biorefineries.Nevertheless,efficient encapsulatio... Zeolite-encapsulated metal nanoclusters are at the heart of bifunctional catalysts,which hold great potential for petrochemical conversion and the emerging sustainable biorefineries.Nevertheless,efficient encapsulation of metal nanoclusters into a high-silica zeolite Y in particular with good structural integrity still remains a significant challenge.Herein,we have constructed Ru nanoclusters(~1 nm)encapsulated inside a high-silica zeolite Y(SY)with a SiO_(2)/Al_(2)O_(3) ratio(SAR)of 10 via a cooperative strategy for direct zeolite synthesis and a consecutive impregnation for metal encapsulation.Compared with the benchmark Ru/H-USY and other analogues,the as-prepared Ru/H-SY markedly boosts the yields of pentanoic biofuels and stability in the direct hydrodeoxygenation of biomass-derived levulinate even at a mild temperature of 180℃,which are attributed to the notable stabilization of transition states by the enhanced acid accessibility and properly sized constraints of zeolite cavities owing to the good structural integrity. 展开更多
关键词 High-silica zeolite Y Metal encapsulation Bifunctional catalysis HYDRODEOXYGENATION Biofuels
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Branch-Chain-Rich Diisopropyl Ether with Steric Hindrance Facilitates Stable Cycling of Lithium Batteries at-20℃
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作者 Houzhen Li Yongchao Kang +6 位作者 Wangran Wei Chuncheng Yan Xinrui Ma Hao Chen Yuanhua Sang Hong Liu Shuhua Wang 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第10期121-135,共15页
Li metal batteries(LMBs)offer signifi-cant potential as high energy density alternatives;nev-ertheless,their performance is hindered by the slow desolvation process of electrolytes,particularly at low temperatures(LT)... Li metal batteries(LMBs)offer signifi-cant potential as high energy density alternatives;nev-ertheless,their performance is hindered by the slow desolvation process of electrolytes,particularly at low temperatures(LT),leading to low coulombic efficiency and limited cycle stability.Thus,it is essential to opti-mize the solvation structure thereby achieving a rapid desolvation process in LMBs at LT.Herein,we introduce branch chain-rich diisopropyl ether(DIPE)into a 2.5 M Li bis(fluorosulfonyl)imide dipropyl ether(DPE)elec-trolyte as a co-solvent for high-performance LMBs at-20℃.The incorporation of DIPE not only enhances the disorder within the electrolyte,but also induces a steric hindrance effect form DIPE’s branch chain,excluding other solvent molecules from Li+solvation sheath.Both of these factors contribute to the weak interactions between Li^(+)and solvent molecules,effectively reducing the desolvation energy of the electrolyte.Consequently,Li(50μm)||LFP(mass loading~10 mg cm^(-2))cells in DPE/DIPE based electrolyte demonstrate stable performance over 650 cycles at-20℃,delivering 87.2 mAh g^(-1),and over 255 cycles at 25℃ with 124.8 mAh g^(-1).DIPE broadens the electrolyte design from molecular structure considera-tions,offering a promising avenue for highly stable LMBs at LT. 展开更多
关键词 Solvation structure Li metal battery Low temperature Steric hindrance DISORDER
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Theoretical characterization of the temperature-dependent saturation magnetization of magnetic metallic materials
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作者 吴金龙 董攀 +6 位作者 贺屹 马艳丽 李梓源 姚沁远 邱俊 麻建坐 李卫国 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第7期577-585,共9页
Based on the force-heat equivalence energy density principle,a theoretical model for magnetic metallic materials is developed,which characterizes the temperature-dependent magnetic anisotropy energy by considering the... Based on the force-heat equivalence energy density principle,a theoretical model for magnetic metallic materials is developed,which characterizes the temperature-dependent magnetic anisotropy energy by considering the equivalent relationship between magnetic anisotropy energy and heat energy;then the relationship between the magnetic anisotropy constant and saturation magnetization is considered.Finally,we formulate a temperature-dependent model for saturation magnetization,revealing the inherent relationship between temperature and saturation magnetization.Our model predicts the saturation magnetization for nine different magnetic metallic materials at different temperatures,exhibiting satisfactory agreement with experimental data.Additionally,the experimental data used as reference points are at or near room temperature.Compared to other phenomenological theoretical models,this model is considerably more accessible than the data required at 0 K.The index included in our model is set to a constant value,which is equal to 10/3 for materials other than Fe,Co,and Ni.For transition metals(Fe,Co,and Ni in this paper),the index is 6 in the range of 0 K to 0.65T_(cr)(T_(cr) is the critical temperature),and 3 in the range of 0.65T_(cr) to T_(cr),unlike other models where the adjustable parameters vary according to each material.In addition,our model provides a new way to design and evaluate magnetic metallic materials with superior magnetic properties over a wide range of temperatures. 展开更多
关键词 magnetic metallic materials temperature dependent saturation magnetization MODELING
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Tuning the surface electronic structure of noble metal aerogels to promote the electrocatalytic oxygen reduction
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作者 Hongxing Yuan Wei Gao +2 位作者 Xinhao Wan Jianqi Ye Dan Wen 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第2期557-564,I0013,共9页
The sluggish kinetics of the oxygen reduction reaction(ORR)is the bottleneck for various electrochemical energy conversion devices.Regulating the electronic structure of electrocatalysts by ligands has received partic... The sluggish kinetics of the oxygen reduction reaction(ORR)is the bottleneck for various electrochemical energy conversion devices.Regulating the electronic structure of electrocatalysts by ligands has received particular attention in deriving valid ORR electrocatalysts.Here,the surface electronic structure of Ptbased noble metal aerogels(NMAs)was modulated by various organic ligands,among which the electron-withdrawing ligand of 4-methylphenylene effectively boosted the ORR electrocatalysis.Theoretical calculations suggested the smaller energy barrier for the transformation of O^(*) to OH^(*) and downshift the d-band center of Pt due to the interaction between 4-methylphenylene and the surface metals,thus enhancing the ORR intrinsic activity.Both Pt3Ni and Pt Pd aerogels with 4-methylphenylene decoration performed significant enhancement in ORR activity and durability in different media.Remarkably,the 4-methylphenylene modified Pt Pd aerogel exhibited the higher halfwave potential of 0.952 V and the mass activity of 10.2 times of commercial Pt/C.This work explained the effect of electronic structure on ORR electrocatalytic properties and would promote functionalized NMAs as efficient ORR electrocatalysts. 展开更多
关键词 Noble metal aerogels Surface electronic structure ORR ELECTROCATALYST Organic ligands
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Revealing the correlation between adsorption energy and activation energy to predict the catalytic activity of metal oxides for HMX using DFT
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作者 Xiurong Yang Chi Zhang +6 位作者 Wujing Jin Zhaoqi Guo Hongxu Gao Shiyao Niu Fengqi Zhao Bo Liu Haixia Ma 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第1期262-270,共9页
Traditional selection of combustion catalysis is time-consuming and labor-intensive.Theoretical calculation is expected to resolve this problem.The adsorption energy of HMX and O atoms on 13 metal oxides was calculate... Traditional selection of combustion catalysis is time-consuming and labor-intensive.Theoretical calculation is expected to resolve this problem.The adsorption energy of HMX and O atoms on 13 metal oxides was calculated using DMol3,since HMX and O are key substances in decomposition process.And the relationship between the adsorption energy of HMX,O on metal oxides(TiO_(2),Al_(2)O_(3),PbO,CuO,Fe_(2)O_(3),Co_(3)O_(4),Bi_(2)O_(3),NiO)and experimental T30 values(time required for the decomposition depth of HMX to reach 30%)was depicted as volcano plot.Thus,the T30 values of other metal oxides was predicted based on their adsorption energy on volcano plot and validated by previous experimental data.Further,the adsorption energy of HMX on ZrO_(2)and MnO_(2)was predicted based on the linear relationship between surface energy and adsorption energy,and T30 values were estimated based on volcano plot.The apparent activation energy data of HMX/MgO,HMX/SnO_(2),HMX/ZrO_(2),and HMX/MnO_(2)obtained from DSC experiments are basically consistent with our predicted T30 values,indicating that it is feasible to predict the catalytic activity based on the adsorption calculation,and it is expected that these simple structural properties can predict adsorption energy to reduce the large quantities of computation and experiment cost. 展开更多
关键词 Density functional theory HMX Metal oxides Adsorption energy Activation energy
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Effect of the anionic composition of sulfolane based electrolytes on the performances of lithium-sulfur batteries
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作者 Elena V.Karaseva Elena V.Kuzmina +2 位作者 Bo-Quan Li Qiang Zhang Vladimir S.Kolosnitsyn 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第8期231-240,I0005,共11页
In lithium-sulfur batteries,cell design,specifically electrolyte design,has a key impact on the battery performance.The effect of lithium salt anion donor number(DN)(DN[PF_(6)]^(-)=2.5,DN[N(SO_(2)CF_(3))_(2)]^(-)=5.4,... In lithium-sulfur batteries,cell design,specifically electrolyte design,has a key impact on the battery performance.The effect of lithium salt anion donor number(DN)(DN[PF_(6)]^(-)=2.5,DN[N(SO_(2)CF_(3))_(2)]^(-)=5.4,DN[ClO_(4)]^(-)=8.4,DN[SO_(3)CF_(3)]^(-)=16.9,and DN[NO_(3)]^(-)=21.1)on the patterns of lithium-sulfur batteries and lithium metal electrode performances with sulfola ne-based electrolytes is investigated.An increase in DN of lithium salt anions leads to an increase in the depth and rate of electrochemical reduction of sulfur and long-chain lithium polysulfides and to a decrease in those for medium-and short-chain lithium polysulfides.DN of lithium salt anions has weak effect on the discharge capacity of lithium-sulfur batteries and the Coulomb efficiency during cycling,with the exception of LiSO_(3)CF_(3)and LiNO_(3).An increase in DN of lithium salt anions leads to an increase in the cycling duration of lithium metal anodes and to a decrease in the presence of lithium polysulfides.In sulfolane solutions of LiNO_(3)and LiSO_(3)CF_(3),lithium polysulfides do not affect the cycling duration of lithium metal anodes. 展开更多
关键词 Donor number Lithium salt SULFOLANE Lithium polysulfide ELECTROLYTE Lithium-sulfur battery Lithium metal electrode
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Dependence of impact regime boundaries on the initial temperatures of projectiles and targets
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作者 Stefano Signetti Andreas Heine 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第1期49-57,共9页
Towards higher impact velocities,ballistic events are increasingly determined by the material temperatures.Related effects might range from moderate thermal softening to full phase transition.In particular,it is of gr... Towards higher impact velocities,ballistic events are increasingly determined by the material temperatures.Related effects might range from moderate thermal softening to full phase transition.In particular,it is of great interest to quantify the conditions for incipient or full melting of metals during impact interactions,which result in a transition from still strength-affected to hydrodynamic material behavior.In this work,we investigate to which extent the respective melting thresholds are also dependent on the initial,and generally elevated,temperatures of projectiles and targets before impact.This is studied through the application of a model developed recently by the authors to characterize the transition regime between high-velocity and hypervelocity impact,for which the melting thresholds of materials were used as the defining quantities.The obtained results are expected to be of general interest for ballistic application cases where projectiles or targets are preheated.Such conditions might result,for example,from aerodynamic forces acting onto a projectile during atmospheric flight,explosive shapedcharge-jet formation or armor exposure to environmental conditions.The performed analyses also broaden the scientific understanding of the relevance of temperature in penetration events,generally known since the 1960s,but often not considered thoroughly in impact studies. 展开更多
关键词 Ballistic impact thermal effects Metallic targets Energy partitioning Homologous temperature
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On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass
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作者 Kaiguo Chen Bo Chen +7 位作者 Yinan Cui Yuying Yu Jidong Yu Huayun Geng Dongdong Kang Jianhua Wu Yao Shen Jiayu Dai 《Matter and Radiation at Extremes》 SCIE EI CSCD 2024年第2期74-89,共16页
Entropy production in quasi-isentropic compression (QIC) is critically important for understanding the properties of materials under extremeconditions. However, the origin and accurate quantification of entropy in thi... Entropy production in quasi-isentropic compression (QIC) is critically important for understanding the properties of materials under extremeconditions. However, the origin and accurate quantification of entropy in this situation remain long-standing challenges. In this work, a framework is established for the quantification of entropy production and partition, and their relation to microstructural change in QIC. Cu50Zr50is taken as a model material, and its compression is simulated by molecular dynamics. On the basis of atomistic simulation-informed physicalproperties and free energy, the thermodynamic path is recovered, and the entropy production and its relation to microstructural change aresuccessfully quantified by the proposed framework. Contrary to intuition, entropy production during QIC of metallic glasses is relativelyinsensitive to the strain rate ˙γ when ˙γ ranges from 7.5 × 10^(8) to 2 × 10^(9)/s, which are values reachable in QIC experiments, with a magnitudeof the order of 10^(−2)kB/atom per GPa. However, when ˙γ is extremely high (>2 × 10^(9)/s), a notable increase in entropy production rate with˙γ is observed. The Taylor–Quinney factor is found to vary with strain but not with strain rate in the simulated regime. It is demonstrated thatentropy production is dominated by the configurational part, compared with the vibrational part. In the rate-insensitive regime, the increase inconfigurational entropy exhibits a linear relation to the Shannon-entropic quantification of microstructural change, and a stretched exponential relation to the Taylor–Quinney factor. The quantification of entropy is expected to provide thermodynamic insights into the fundamentalrelation between microstructure evolution and plastic dissipation. 展开更多
关键词 ENTROPY METALLIC REGIME
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Experimental study on the influences of cutter geometry and material on scraper wear during shield TBM tunnelling in abrasive sandy ground
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作者 Shaohui Tang Xiaoping Zhang +3 位作者 Quansheng Liu Qi Zhang Xinfang Li Haojie Wang 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE CSCD 2024年第2期410-425,共16页
When shield TBM tunnelling in abrasive sandy ground,the rational design of cutter parameters is critical to reduce tool wear and improve tunnelling efficiency.However,the influence mechanism of cutter parameters on sc... When shield TBM tunnelling in abrasive sandy ground,the rational design of cutter parameters is critical to reduce tool wear and improve tunnelling efficiency.However,the influence mechanism of cutter parameters on scraper wear remains unclear due to the lack of a reliable test method.Geometry and material optimisation are often based on subjective experience,which is unfavourable for improving scraper geological adaptability.In the present study,the newly developed WHU-SAT soil abrasion test was used to evaluate the variation in scraper wear with cutter geometry,material and hardness.The influence mechanism of cutter parameters on scraper wear has been revealed according to the scratch characteristics of the scraper surface.Cutter geometry and material parameters have been optimised to reduce scraper wear.The results indicate that the variation in scraper wear with cutter geometry is related to the cutting resistance,frictional resistance and stress distribution.An appropriate increase in the front angle(or back angle)reduces the cutting resistance(or frictional resistance),while an excessive increase in the front angle(or back angle)reduces the edge angle and causes stress concentration.The optimal front angle,back angle and edge angle for quartz sand samples areα=25°,β=10°andγ=55°,respectively.The wear resistance of the modelled scrapers made of different metal materials is related to the chemical elements and microstructure.The wear resistances of the modelled scrapers made of 45#,06Cr19Ni10,42CrMo4 and 40CrNiMoA are 0.569,0.661,0.691 and 0.728 times those made of WC-Co,respectively.When the alloy hardness is less than 47 HRC(or greater than 58 HRC),scraper wear decreases slowly with increasing alloy hardness as the scratch depth of the particle asperity on the metal surface stabilizes at a high(or low)level.However,when the alloy hardness is between 47 HRC and 58 HRC,scraper wear decreases rapidly with increasing alloy hardness as the scratch depth transitions from high to low levels.The sensitive hardness interval and recommended hardness interval for quartz sand are[47,58]and[58,62],respectively.The present study provides a reference for optimising scraper parameters and improving cutterhead adaptability in abrasive sandy ground tunnelling. 展开更多
关键词 Shield TBM Scraper wear Cutter shape Metal material Alloy hardness
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Synthesis and Modulation of Low-Dimensional Transition Metal Chalcogenide Materials via Atomic Substitution
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作者 Xuan Wang Akang Chen +3 位作者 XinLei Wu Jiatao Zhang Jichen Dong Leining Zhang 《Nano-Micro Letters》 SCIE EI CAS CSCD 2024年第9期49-94,共46页
In recent years,low-dimensional transition metal chalcogenide(TMC)materials have garnered growing research attention due to their superior electronic,optical,and catalytic properties compared to their bulk counterpart... In recent years,low-dimensional transition metal chalcogenide(TMC)materials have garnered growing research attention due to their superior electronic,optical,and catalytic properties compared to their bulk counterparts.The controllable synthesis and manipulation of these materials are crucial for tailoring their properties and unlocking their full potential in various applications.In this context,the atomic substitution method has emerged as a favorable approach.It involves the replacement of specific atoms within TMC structures with other elements and possesses the capability to regulate the compositions finely,crystal structures,and inherent properties of the resulting materials.In this review,we present a comprehensive overview on various strategies of atomic substitution employed in the synthesis of zero-dimensional,one-dimensional and two-dimensional TMC materials.The effects of substituting elements,substitution ratios,and substitution positions on the structures and morphologies of resulting material are discussed.The enhanced electrocatalytic performance and photovoltaic properties of the obtained materials are also provided,emphasizing the role of atomic substitution in achieving these advancements.Finally,challenges and future prospects in the field of atomic substitution for fabricating low-dimensional TMC materials are summarized. 展开更多
关键词 Transition metal chalcogenides Atomic substitution Ion exchange Low-dimensional materials Controllable synthesis
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