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Age-hardening behavior,corrosion mechanisms,and passive film structure of nanocrystalline Al-V supersaturated solid solution

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Journal of Materials science & Technology 2023年第4期135卷 1-12页

作者： J.Christudasjustus M.R.Felde C.S.Witharamage J.Esquivel A.A.Darwish C.Winkler R.K.Gupta Department of Materials Science and Engineering North Carolina State UniversityRaleighNC 27606United States Department of Chemical Biomolecular and Corrosion EngineeringThe University of AkronAkronOH 44325United States

The effect of age-hardening on microstructure,hardness,and corrosion of an Al-5at.%V alloy,produced us-ing high-energy ball milling and subsequent cold compaction,has been *** alloy exhibited a grain size below 100 nm and extremely high solid solubility of V in Al(3.1 at.%).The age-hardening was carried out at 150,200,and 250℃.The peak-aged condition of 150℃ demonstrated the highest hardness-transpired from grain refinement,precipitation,and solid solution *** corrosion re-sistance of the Al-5at.%V alloy was studied as a function of aging *** peak-aged condition retained the corrosion resistance while it deteriorated in the over-aged ***,the cor-rosion resistance of the ball-milled Al alloys in all the aging conditions was superior to that of pure *** passive film structure and origin of corrosion were studied using scanning/transmission electron mi-croscopy(S/TEM).The high corrosion resistance of the alloy was attributed to the V enrichment at the film/metal interface and deposition of V on the cathodic phases,which suppresses the dissolution of Al within the pit and therefore promotes repassivation in the early stages of corrosion.

关键词： Al alloys Nanocrystalline alloy Age-hardening Ball milling Corrosion Hardness

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Direct photoelectrochemical nitrate synthesis in an acidic electrolyte from N_(2)by a hole coupled oxygen atom transfer process

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Journal of Energy Chemistry 2024年第12期99卷 654-660页

作者： Zhongyuan Ma Jiaming Miao Kwanghee Kim Gyuyong Jang Youngmoon Choi Seongjae Im Joonhee Kang Kan Zhang Jong Hyeok Park Department of Chemical and Biomolecular Engineering Yonsei University50 Yonsei-roSeodaemun-guSeoul 120-749Republic of Korea School of Materials Science and Engineering and School of Chemistry and Chemical Engineering Nanjing University of Science and TechnologyNanjing 20094JiangsuChina Department of Nanoenergy Engineering Pusan National UniversityBusan 46241Republic of Korea

Ammonia is an important chemical for pharmaceutical,agriculture,industry,as well as energy production et ***,the industrial production of ammonia using the Haber-Bosch process is energy-intensive,which stimulates us to explore a cost-effective and low-carbon footprint way for the synthesis of ammonia[1–3].Electrochemical(EC)synthesis of ammonia from an aqueous N_(2)reduction reaction(NRR)has gained significant attention in recent years,while the high dissociation energy of the N≡N bond(941 kJ/mol),as well as higher over-potential than hydrogen evolution reaction(HER),cause a lower efficiency[4].

关键词： Nitrogen oxidation Tungsten oxide Facet engineering Photoelectrochemical Oxygen atom transfer

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Machine learning insights into the production and characteristics of carbon nanotubes from methane catalytic decomposition

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Journal of Energy Chemistry 2025年第5期104卷 726-739页

作者： Yuming Wen Bella Guoqiang Song Jie Chang Sibudjing Kawi Chi-Hwa Wang Department of Chemical and Biomolecular Engineering National University of SingaporeSingapore 117585Singapore Institute of Sustainability for Chemicals Energy and Environment(ISCE2)Agency for ScienceTechnologyand Research(A*STAR)Singapore 627833Singapore

The sustainability of methane catalytic decomposition is significantly enhanced by the production of high-quality value-added carbon products such as carbon nanotubes(CNTs).Understanding the production yields and properties of CNTs is crucial for improving process feasibility and *** study employs machine learning technique to develop and analyze predictive models for the carbon yield and mean diameter of CNTs produced through methane catalytic *** comprehensive datasets from various experimental studies,the models incorporate variables related to catalyst composition,catalyst preparation,and operational *** models achieved high predictive accuracy,with R^(2)values exceeding ***,the reduction time during catalyst preparation was found to critically influence carbon yield,evidenced by a permutation importance value of 39.62%.Additionally,the use of Mo as a catalytic metal was observed to significantly reduce the diameter of produced *** findings highlight the need for future machine learning and simulation studies to include catalyst reduction parameters,thereby enhancing predictive accuracy and deepening process *** research provides strategic guidance for optimizing methane catalytic decomposition to produce enhanced CNTs,aligning with sustainability goals.

关键词： Methane catalytic decomposition Machine learning Carbon yield Carbon nanotubes Catalyst synthesis CH_(4)conversion

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Photocatalytic purification of dye-containing wastewater using a novel embedded hybrid TiO2–slag catalyst heterojunction nanocomposite coupled with statistical models: A sustainable and techno-economic approach

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Water science and engineering 2025年第2期18卷 151-164页

作者： Safo, Kingsley Rubangakene, Norbert Onen Noby, Hussien El-Shazly, Ahmed H. Department of Chemical and Biomolecular Engineering University of Notre Dame South BendIN46556 United States Department of Chemical and Petrochemical Engineering Egypt-Japan University of Science and Technology Alexandria21934 Egypt Department of Environmental Engineering Egypt-Japan University of Science and Technology Alexandria21934 Egypt Department of Mechanical Engineering Faculty of Energy Engineering Aswan University Aswan81528 Egypt

The steel industry produces many byproducts, requiring extensive land for storage and causing significant environmental contamination. Industrial effluents discharged into water bodies negatively impact both aquatic ecosystems and human health. To solve this problem, this study synthesized a composite of titanium dioxide (TiO2) and steel slag nanocomposites (SSNC) at a 1:2 mass ratio to create a robust photocatalyst for the treatment of synthetic wastewater. The efficacy of this catalyst in degrading various dye pollutants, including methylene blue (MB), was tested under simulated solar light conditions. Comprehensive analyses were conducted to assess the physical and chemical characteristics, crystalline structure, energy gap, and point of zero charge of the composite. The TiO2-SSNC composite catalyst exhibited excellent stability, with a point of zero charge at 8.342 and an energy gap of 2.4 eV. The degradation process conformed to pseudo-first-order kinetics. Optimization of operational parameters was achieved through the response surface methodology. Reusability tests demonstrated that the TiO2-SSNC composite catalyst effectively degraded up to 93.41% of MB in the suspended mode and 92.03% in the coated mode after five cycles. Additionally, the degradation efficiencies for various dyes were significant, highlighting the potential of the composite for broad applications in industrial wastewater treatment. This study also explored the degradation mechanisms and identified byproducts, establishing a pathway for contaminant breakdown. The cost-benefit analysis revealed a total cost of 0.842 8 USD per cubic meter for each treatment activity, indicating low operational and production costs. These findings underscore the promise of the TiO2-SSNC composite as a cost-effective and efficient alternative for wastewater purification. © 2025 Hohai University

关键词： Titanium dioxide

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Modeling the effects of salt concentration on aqueous and organic electrolytes

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npj Computational Materials 2023年第1期9卷 546-552页

作者： Stephanie C.C.van der Lubbe Pieremanuele Canepa Department of Materials Science and Engineering National University of Singapore9 Engineering Drive 1117575 SingaporeSingapore Department of Chemical and Biomolecular Engineering National University of Singapore4 Engineering Drive 4117585 SingaporeSingapore Department of Electrical and Computer Engineering and Texas Center for Superconductivity University of HoustonHoustonTX 77204USA

Understanding the thermodynamic properties of electrolyte solutions is of vital importance for a myriad of physiological and technological *** mean activity coefficientγ±is associated with the deviation of an electrolyte solution from its ideal behavior and may be obtained by combining the Debye-Hückel(DH)and Born(B)***,the DH and B equations depend on the concentration and temperature-dependent static permittivity of the solutionεr(c,T)and the size of the solvated ions ri,whose experimental data is often not ***,we use a combination of molecular dynamics and density functional theory to predictεr(c,T)and ri,which enables us to apply the DH and B equations to any technologically relevant aqueous and nonaqueous electrolyte at any concentration and temperature of interest.

关键词： equations electrolyte apply

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Three-dimensional carbon microclusters organized by hollow carbon nanospheres for stable Li metal anodes:enabling high packing density and low tortuosity via self-assembly

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Rare Metals 2025年第1期44卷 95-109页

作者： Du Yeol Jo Jae Bong Lim Jin Koo Kim Yun Chan Kang Seung-Keun Park Department of Advanced Materials Engineering Chung-Ang UniversityGyeonggi-do 17546Republic of Korea Department of Chemical and Biomolecular Engineering University of CaliforniaLos Angeles 90095USA Department of Materials Science and Engineering Korea UniversitySeoul 136-713Republic of Korea Western Seoul Center Korea Basic Science InstituteSeoul 03759Republic of Korea

Recently,hollow carbon nanospheres(HCSs)have garnered significant attention as potential Li metal hosts owing to their unique large voids and ease of ***,similar to other nanoscale hosts,their practical performance is limited by inhomogeneous agglomeration,increased binder requirements,and high tortuosity within the *** overcome these problems and high tortuosity within the electrode,this study introduces a pomegranate-like carbon microcluster composed of primary HCSs(P-CMs)as a novel Li metal *** unique nanostructure can be easily prepared using the spray-drying technique,enabling its mass *** analyses with various tools demonstrate that compared with HCS hosts,the P-CM host requires a smaller amount of binder to fabricate a sufficiently robust and even surface ***,owing to reduced tortuosity,the well-designed P-CM electrode can provide continuous and shortened pathways for electron/ion transport,accelerating the Li-ion transfer kinetics and prohibiting preferential Li plating at the upper region of the *** to these characteristics,Li metal can be effectively encapsulated in the large inner voids of the primary HCSs constituting the P-CM,thereby enhancing the electrochemical performance of P-CM hosts in Li metal ***,the Coulombic efficiency of the P-CM host can be maintained at 97%over 100 cycles,with a high Li deposition areal capacity of 3 mAh·cm^(-2)and long cycle life(1000 h,1 mA·cm^(-2),and 1.0 mAh·cm^(-2)).Furthermore,a full cell incorporating a LiFePO4 cathode exhibits excellent cycle life.

关键词： Li metal host Hollow carbon nanosphere Carbon microclusters Self-assembly Tortuosity Spray drying

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Stable Solid Electrolyte Interphase in Cylindrical Anode-Free Li-Metal NMC90 Batteries with Li₂NiO₂ Prelithiation and Fluorine-Rich Electrolytes for High Energy Density

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Nano Letters 2025年第22期25卷 9047-9053页

作者： Sangsanit, Thitiphum Songthan, Ronnachai Prempluem, Surat Tejangkura, Worapol Sawangphruk, Montree Centre of Excellence for Energy Storage Technology Department of Chemical and Biomolecular Engineering School of Energy Science and Engineering Vidyasirimedhi Institute of Science and Technology Rayong 21210 Thailand

This study advances anode-free lithium-metal batteries (AFLMBs) by integrating nickel-rich NMC90 cathodes and fluorine-rich electrolytes in large-format 18650 cylindrical cells. A key innovation is the incorporation of 10 wt % Li-rich Li₂NiO₂ as a prelithiation agent in the cathode, which mitigates initial lithium-loss and improves the Coulombic efficiency. The electrolyte includes 30% (v/v) fluoroethylene carbonate (FEC) as a cosolvent, which suppresses inactive lithium deposition and stabilizes the solid electrolyte interphase (SEI). Unlike conventional AFLMBs that require external pressure, this work uses a stainless-steel casing with a tailored jelly roll configuration to mechanically regulate lithium plating. The optimized cells deliver an energy density of 320 Wh/kg, maintain stable cycling over 140 cycles, and support 4C-rate operation. Post-mortem analysis reveals a LiF-rich SEI that extends the cycle life, while operando X-ray diffraction provides insights into structural evolution. This research offers a scalable strategy for high-energy AFLMBs through the synergy of prelithiation, electrolyte design, and mechanical stabilization. © 2025 The Authors. Published by American chemical Society.

关键词： 18650 cylindrical cell anode-free lithium-metal batteries fluoroethylene carbonate Li2NiO2 prelithiation operando X-ray diffraction

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Machine learning models for the density and heat capacity of ionic liquid-water binary mixtures

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Chinese Journal of chemical engineering 2024年第9期73卷 244-255页

作者： Yingxue Fu Xinyan Liu Jingzi Gao Yang Lei Yuqiu Chen Xiangping Zhang School of Chemistry and Chemical Engineering Hubei Key Laboratory of Coal Conversion and New Carbon MaterialsWuhan University of Science and TechnologyWuhan 430081China Department of Chemical and Biomolecular Engineering University of Delaware150 Academy StreetNewarkDE 19716United States College of Chemical Engineering and Environment China University of PetroleumBeijing 102249China

Ionic liquids(ILs),because of the advantages of low volatility,good thermal stability,high gas solubility and easy recovery,can be regarded as the green substitute for traditional ***,the high viscosity and synthesis cost limits their application,the hybrid solvent which combining ILs together with others especially water can solve this *** with the pure IL systems,the study of the ILs-H_(2)O binary system is rare,and the experimental data of corresponding thermodynamic properties(such as density,heat capacity,etc.)are ***,it is also difficult to obtain all the data through ***,this work establishes a predicted model on ILs-water binary systems based on the group contribution(GC)*** different machine learning algorithms(ANN,XGBoost,LightBGM)are applied to fit the density and heat capacity of ILs-water binary *** then the three models are compared by two index of MAE and R^(2).The results show that the ANN-GC model has the best prediction effect on the density and heat capacity of ionic liquid-water mixed ***,the Shapley additive explanations(SHAP)method is harnessed to scrutinize the significance of each structure and parameter within the ANN-GC model in relation to prediction *** results reveal that system components(XIL)within the ILs-H_(2)O binary system exert the most substantial influence on density,while for the heat capacity,the substituents on the cation exhibit the greatest *** study not only introduces a robust prediction model for the density and heat capacity properties of IL-H_(2)O binary mixtures but also provides insight into the influence of mixture features on its density and heat capacity.

关键词： Ionic liquids Density Heat capacity Group contribution method Machine learning

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Rechargeable Multivalent-Ion Batteries

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Energy Material Advances 2024年第1期5卷 283-284页

作者： Juchen Guo Jennifer LSchaefer Yuyan Shao Department of Chemical and Environmental Engineering Materials Science and Engineering ProgramUniversity of CaliforniaRiversideRiversideCA 92521USA Department of Chemical and Biomolecular Engineering University of Notre DameNotre DameIN 46556USA Pacific Northwest National Laboratory RichlandWA 99352USA

Rechargeable batteries based on multivalent metal anodes including earth-abundant magnesium(Mg),calcium(Ca),zinc(Zn),and aluminum(Al)are potential new“beyond lithium(Li)”electrochemical energy storage technologies for large-scale energy storage *** multivalent elements are more earth abundant,and therefore promising candidates for reducing global dependence on Li for our growing energy storage *** the seminal work by Aurbach and coworkers[1]demonstrating the first prototype rechargeable Mg batteries,tremendous efforts have been made to the research and development of rechargeable multivalent-ion batteries.

关键词： energy storage calcium batteries rechargeable batteries multivalent elements multivalent metal anodes energy storage technologies magnesium batteries

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Recent Developments in Fuel Cells and Water Electrolyzers

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JACS AU 2024年第5期4卷 1673-1675页

作者： Lee, Hyunjoo Department of Chemical and Biomolecular Engineering Korea Advanced Institute of Science and Technology Daejeon 34141 South Korea

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