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Unveiling solid-solid contact states in all-solid-state lithium batteries:An electrochemical impedance spectroscopy viewpoint

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Journal of Energy Chemistry 2025年第2期101卷 16-22页

作者： Jin-Liang Li Liang Shen Zi-Ning Cheng Jun-dong Zhang Ling-Xuan Li Yu-Tong Zhang Yan-Bin Gao Chunli Guo Xiang Chen Chen-Zi Zhao rui Zhang Qiang Zhang Tsinghua center for Green chemical engineering Electrification Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Department of Chemical Engineering Tsinghua University College of Materials Science and engineering Taiyuan University of Technology Advanced research Institute of Multidisciplinary Science School of Materials Science and Engineering Beijing Institute of Technology Beijing Huairou Laboratory Institute for Carbon Neutrality Tsinghua University Shanxi research Institute for Clean Energy Tsinghua University

All-solid-state lithium batteries（ASSLBs） are strongly considered as the next-generation energy storage devices for their high energy density and intrinsic *** solid-solid contact between lithium metal and solid electrolyte plays a vital role in the performance of working ASSLBs,which is challenging to investigate quantitatively by experimental *** work proposed a quantitative model based on the finite element method for electrochemical impedance spectroscopy simulation of different solid-solid contact states in *** the assistance of an equivalent circuit model and distribution of relaxation times,it is discovered that as the number of voids and the sharpness of cracks increase,the contact resistance rcgrows and ultimately dominates the battery *** accurate fitting,inverse proportional relations between contact resistance rcand（1-porosity） as well as crack angle was *** contribution affords a fresh insight into clarifying solid-solid contact states in ASSLBs.

关键词： All-solid-state lithium batteries distribution of relaxation times Electrochemical impedance spectroscopy Equivalent circuit model Finite element method Solid-solid contacts

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data-driven Healthcare:The role of Computational Methods in Medical Innovation

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Computer Modeling in engineering & Sciences 2025年第1期142卷 1-48页

作者： Hariharasakthisudhan Ponnarengan Sivakumar rajendran Vikas Khalkar Gunapriya devarajan Logesh Kamaraj department of Mechanical engineering Dr.Mahalingam College of Engineering and TechnologyPollachiCoimbatoreTamil Nadu642003India department of Mechanical engineering JKKN College of Engineering and TechnologyKumarapalayamNamakkalTamil Nadu637209India department of Mechanical engineering Gharda Institute of TechnologyLavelMaharashtra415708India department of Electrical and Electronics engineering Sri Eshwar College of EngineeringCoimbatoreTamilnadu641202India department of Mechanical engineering Vel Tech Rangarajan Dr.Sagunthala R&D Institute of Science and TechnologyChennai600062India

The purpose of this review is to explore the intersection of computational engineering and biomedical science,highlighting the transformative potential this convergence holds for innovation in healthcare and medical *** review covers key topics such as computational modelling,bioinformatics,machine learning in medical diagnostics,and the integration of wearable technology for real-time health *** findings indicate that computational models have significantly enhanced the understanding of complex biological systems,while machine learning algorithms have improved the accuracy of disease prediction and *** synergy between bioinformatics and computational techniques has led to breakthroughs in personalized medicine,enabling more precise treatment ***,the integration of wearable devices with advanced computational methods has opened new avenues for continuous health monitoring and early disease *** review emphasizes the need for interdisciplinary collaboration to further advance this *** research should focus on developing more robust and scalable computational models,enhancing data integration techniques,and addressing ethical considerations related to data privacy and *** fostering innovation at the intersection of these disciplines,the potential to revolutionize healthcare delivery and outcomes becomes increasingly attainable.

关键词： Computational models biomedical engineering bioinformatics machine learning wearable technology

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Free vibration and transient response of double curved beams connected by intermediate straight beams

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Applied Mathematics and Mechanics(English Edition) 2025年第1期46卷 37-62页

作者： r.A.JAFArI-TALOOKOLAEI H.GHANdVAr E.JUMAEV S.KHATIr T.CUONG-LE School of Mechanical engineering Babol Noshirvani University of Technology department of Mechanical engineering Faculty of Engineering New Uzbekistan University University of Business and Science center for engineering Application and technology Solutions Ho Chi Minh City Open University

This paper investigates the free vibration and transient response of interconnected structures including double curved beams and intermediate straight beams,which are all constructed from functionally graded porous(FGP) materials. The strain potential and kinetic energies of each beam along with the work done by the external force are calculated. Additionally, a higher-order beam element is introduced to derive stiffness and mass matrices, along with the force vector. The curved and straight beams are discretized, and their assembled stiffness, mass matrices, and force vectors, are *** conditions at the joints are used to derive the total matrices of the entire structure. Subsequently, the natural frequencies and transient response of the system are determined. The accuracy of the mathematical model and the self-developed computer program is validated through the comparison of the obtained results with those of the existing literature and commercial software ANSYS, demonstrating excellent ***, a comprehensive study is conducted to investigate the effects of various parameters on the free vibration and transient response of the considered structure.

关键词： double curved beam finite element method functionally graded porous (FGP) material intermediate straight beam O313 vibration analysis

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Flexible molecules dedicate to release strain of inverted inorganic perovskite solar cell

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Journal of Energy Chemistry 2025年第1期100卷 87-93页

作者： Hongrui Sun Sanlong Wang Pengyang Wang Yali Liu Shanshan Qi Biao Shi Ying Zhao Xiaodan Zhang Institute of Photoelectronic Thin Film devices and technology Renewable Energy Conversion and Storage CenterState Key Laboratory of Photovoltaic Materials and CellsNankai UniversityTianjin 300350China Key Laboratory of Photoelectronic Thin Film devices and technology of Tianjin Tianjin 300350China Haihe Laboratory of Sustainable chemical Transformations Tianjin 300192China engineering research center of Thin Film Photoelectronic technology of Ministry of Education Tianjin 300350China Collaborative Innovation center of chemical Science and engineering(Tianjin) Tianjin 300072China

The tensile strain in inorganic perovskite films induced by thermal annealing is one of the primary factors contributing to the inefficiency and instability of inorganic perovskite solar cells(IPSCs),which reduces the defect formation ***,a flexible molecule 5-maleimidovaleric acid(5-MVA)was introduced as a strain buffer to release the residual strain of CsPbI_(2.85)Br_(0.15)*** anhydride and carboxyl groups in 5-MVA interact strongly with the uncoordinated Pb^(2+)through Lewis acid-base reaction,thus tightly“pull”the perovskite *** in-between soft carbon chain increased the structural flexibility of CsPbI_(2.85)Br_(0.15)perovskite materials,which effectively relieved the intrinsic internal strain of CsPbI_(2.85)Br_(0.15),resisted the corrosion of external strain,and also reduced the formation of defects such as VIand *** addition,the introduction of 5-MVA improved crystal quality,passivated residual defects,and narrowed energy level ***,power conversion efficiency(PCE)of NiOxbased inverted IPSCs increased from 19.25%to 20.82%with the open-circuit voltage enhanced from 1.164 V to 1.230 *** release of strain also improved the stability of CsPbI_(2.85)Br_(0.15)perovskite films and devices.

关键词： Inverted inorganic perovskite solar cells Flexible molecules Strain release Crystallization Energy barrier High PCE

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Selective recovery of rare earth elements by smelting of magnets

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Journal of rare Earths 2025年第1期43卷 209-217,I0008页

作者： Venkata Lakshmi Borra Prasanta Jana PPSahoo Prakash Venkatesan Mehmet Ali recai Onal Chenna rao Borra department of Metallurgical and Materials engineering Indian Institute of Technology KharagpurWest Bengal721302India r&d Tata Steel Ltd.Jamshedpur831001India department of Materials engineering Synthesis and Recycling(4MAT)Universite Libre de BruxellesCP165/631050BrusselsBelgium GenoMines 630 Rue Noetzlin91190ParisFrance

rare earth elements(rEEs)play a crucial role in many technologies from daily appliances in cell phones to more advanced wind turbines and electric *** magnets account for a quarter of total global rEEs production and have high recycling *** this study,smelting process was used to selectively oxidize rEEs in the permanent magnets by adding Fe_(2)O_(3).This separates rEEs into a slag phase from an iron-rich metallic phase.B_(2)O_(3) was also added to the system as a flux to lower the slag melting *** minimizes rEEs loss to the metallic phase and allows a more efficient phase *** effect of flux and oxidizing agent addition was investigated on both regular and cerium-rich NdFeB(NdCeFeB)*** 1350℃and for 1 h,the slag phase was successfully separated from the metallic phase with the addition of 0.8 stoichiometric amount of Fe_(2)O_(3) and 40 wt%of B_(2)O_(3).Scanning electron microscopy-energy dispersive X-ray spectroscopy(SEM-EdX)analysis reveals that rEEs in the magnet do not migrate to the metal phase while the rEE-rich slag phase contains almost no *** the selective removal of iron into the metallic phase,rEEs are recovered from the slag phase through an acid leaching process allowing>99%of rEEs *** in the magnet can also be recovered as useful boric acid by evaporation and crystallisation *** proposed process in this study is reagent and energy-efficient with almost complete valorisation of both NdCeFeB and NdFeB magnets.

关键词： recycling rare earth elements NdFeBmagnets Smelting Leaching

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Cellulose Elementary Fibrils as deagglomerated Binder for High-Mass-Loading Lithium Battery Electrodes

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Nano-Micro Letters 2025年第5期17卷 281-296页

作者： Young-Kuk Hong Jung-Hui Kim Nag-Young Kim Kyeong-Seok Oh Hong-I Kim Seokhyeon ryu Yumi Ko Ji-Young Kim Kwon-Hyung Lee Sang-Young Lee department of chemical and Biomolecular engineering Yonsei University50 Yonsei-RoSeodaemun-GuSeoul 03722Republic of Korea Advanced Analysis and data center Korea Institute of Science and Technology(KIST)Seoul 02792Republic of Korea Ulsan Advanced Energy technology r&d center Korea Institute of Energy Research(KIER)Ulsan 44776Republic of Korea department of Battery engineering Yonsei University50 Yonsei-RoSeodaemun-GuSeoul 03722Republic of Korea

Amidst the ever-growing interest in high-mass-loading Li battery electrodes,a persistent challenge has been the insufficient continuity of their ion/electron conduction ***,we propose cellulose elementary fibrils(CEFs)as a class of deagglomerated binder for high-mass-loading *** from natural wood,CEF represents the most fundamental unit of cellulose with nanoscale *** preparation of the CEFs involves the modulation of intermolecular hydrogen bonding by the treatment with a proton acceptor and a hydrotropic *** elementary deagglomeration of the cellulose fibers increases surface area and anionic charge density,thus promoting uniform dispersion with carbon conductive additives and suppressing interfacial side reactions at ***,a homogeneous redox reaction is achieved throughout the *** resulting CEF-based cathode(overlithiated layered oxide(OLO)is chosen as a benchmark electrode active material)exhibits a high areal-mass-loading(50 mg cm^(-2),equivalent to an areal capacity of 12.5 mAh cm^(-2))and a high specific energy density(445.4 Wh kg–1)of a cell,which far exceeds those of previously reported OLO *** study highlights the viability of the deagglomerated binder in enabling sustainable high-mass-loading electrodes that are difficult to achieve with conventional synthetic polymer binders.

关键词： Cellulose elementary fibrils deagglomeration Electrode binders Lithium batteries High-mass-loading

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Why do CuAl catalysts outperform in CO_(2) electro-reduction to C_(2)H_(4)?

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Science China Chemistry 2025年第2期68卷 763-771页

作者： dongfang Cheng Gong Zhang Lulu Li Xiangcheng Shi Wenjin Zhu Xintong Yuan Lyudmila Moskaleva Peng Zhang Zhi-Jian Zhao Jinlong Gong Key Laboratory for Green chemical technology of Ministry of Education School of Chemical Engineering and TechnologyTianjin University Collaborative Innovation Center of Chemical Science and Engineering(Tianjin)Tianjin 300072China Joint School of National University of Singapore and Tianjin University International Campus of Tianjin UniversityFuzhou 350207China department of Chemistry University of the Free StateBloemfontein 9301South Africa Haihe Laboratory of Sustainable chemical Transformations Tianjin 300192China National Industry-Education Platform of Energy Storage Tianjin UniversityTianjin 300350China International Joint Laboratory of Low-carbon chemical engineering Tianjin 300192China Tianjin Normal University Tianjin 300387China

Highly efficient CO_(2) electroreduction(CO_(2)rr)holds the promise of closing the carbon ***,the strategies for enhancing activity and selectivity for single C2+ products are still *** paper describes the oxophilicity of doped metals on copper(Cu)as a key descriptor for predicting the selectivity in the production of ethylene and ethanol in CO_(2)*** findings reveal a volcano-like relationship between the*O binding energy and catalytic activity,with aluminum(Al)-doped Cu alloys situated at the *** strong Al–O bond facilitates C–O bond cleavage,thereby promoting C_(2)H_(4) *** grand canonical density functional theory(GCdFT)calculations,we elucidate the significance of strong oxygen affinity in enhancing*CO_(2) adsorption,leading to its activation into a bidentate-adsorbed ***,our results demonstrate that Al doping promotes C–C coupling by altering the adsorption mode of the key intermediate *OCCO,shifting it from a less favorable boattype to a more stable chair-type *** modification significantly contributes to the improved catalytic activity for C2+products on CuAl *** research provides a detailed mechanistic insight into the high activity and selectivity observed in CO_(2)rr to ethylene on CuAl catalysts,underscoring the critical role of metal oxophilicity in enhancing CO_(2)rr performance.

关键词： CO_(2)rr dilute alloy descriptor surface oxophilicity

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Conversion of N-doped biochar from carotenoid-extracted Tetraselmis suecica and its application to produce supercapacitors

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Journal of Environmental Sciences 2025年第5期151卷 410-423页

作者： Se Hun Lee Kang Hyun Lee Sang-hwa Lee Soo Kweon Lee Ok Sung Jeon Young Pyo Jeon dongpyo Hong Young Joon Yoo Sang Yoon Park Hah Young Yoo Advanced Institute of Convergence technology(AICT) Seoul National UniversitySuwon 16229Republic of Korea department of Biotechnology Sangmyung University20 Hongjimun 2-GilJongno-GuSeoul 03016Republic of Korea department of Bio-Convergence engineering Dongyang Mirae University445-8Gyeongin-roGuro-guSeoul 08221Republic of Korea Fermentation team Lotte R&D Center210 Magokjungang-RoGangseo-GuSeoul 07594Republic of Korea School of Electronic engineering Kyonggi UniversityGyeonggi-do 16227Republic of Korea

Microalgae are one of the promising feedstocks for biorefinery,contributing significantly to net-zero emissions through carbon capture and ***,the disposal of microalgal byproducts from the manufacturing process causes additional environmental pollution,thus,a new application strategy is *** this study,the Tetraselmis suecica byproduct from the carotenoid extraction process was carbonized and converted into *** converted biochar was proved to be nitrogen-doped biochar(NdB),up to 4.69%,with a specific surface area of 206.59m^(2)/g andwas used as an electrode for a *** NdB electrode(NdB-E)in half-cell showed a maximum specific capacitance of 191 F/*** a full-cell test,the NdB-E exhibited a high energy density of 7.396 Wh/kg and a high-power density of 18,100 W/kg,and maintained specific capacity of 95.5%after charge and discharge of 10,000 *** conclusion,our study demonstrated that the carotenoid-extracted microalgal byproducts are a useful resource for the supercapacitor *** approach is the first to convert *** into active materials for supercapacitors.

关键词： Microalgae Tetraselmis suecica Carbonization N-doped biochar Supercapacitor

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Interfacial B-O bonding modulated S-scheme B-doped N-deficient C_(3)N_(4)/O-doped-C_(3)N_(5) for efficient photocatalytic overall water splitting

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Chinese chemical Letters 2025年第1期36卷 355-361页

作者： Entian Cui Yulian Lu Zhaoxia Li Zhilei Chen Chengyan Ge Jizhou Jiang Key Laboratory for Advanced technology in Environmental Protection of Jiangsu Province Yancheng Institute of TechnologyYancheng 224051China School of Environmental Ecology and Biological engineering Key Laboratory of Green Chemical Engineering Process of Ministry of EducationEngineering Research Center of Phosphorus Resources Development and Utilization of Ministry of EducationWuhan Institute of TechnologyWuhan 430205China

Photocatalytic overall pure water splitting is a promising method for generating green hydrogen energy under mild ***,this process is often hindered by sluggish electron-hole separation and *** address this,a step-scheme(S-scheme)B-doped N-deficient C_(3)N_(4)/O-doped C_(3)N_(5)(BN-C_(3)N_(4)/O-C_(3)N_(5))heterojunction with interfacial B-O bonds has been *** Pt and Co(OH)_(2) as co-catalysts,BN-C_(3)N_(4)/O-C_(3)N_(5) S-scheme heterojunction demonstrates significantly enhanced photocatalytic activity for overall pure water splitting under visible light,achieving H_(2) and O_(2) evolution rates of 40.12 and 19.62μmol/h,*** characterizations and experiments revealed the performance-enhancing effects of the enhanced built-in electric field and the interfacial B-O ***,the strengthened built-in electric field provides sufficient force for rapid interfacial electron ***,by reducing the transport energy barrier and transfer distance,the interfacial B-O bonds facilitate rapid recombination of electrons and holes with relatively low redox potential via the S-scheme charge-transfer route,leaving the high-potential electrons and holes available for H^(+)reduction and OH^(-)oxidation ***,the photocatalytic efficiency of BN-C_(3)N_(4)/O-C_(3)N_(5) S-scheme heterojunction was significantly improved,making it a promising approach for green hydrogen production through overall pure water splitting.

关键词： Interfacial B-O bonds BN-C_(3)N_(4) O-C_(3)N_(5) S-scheme heterojunction Water splitting

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Emerging organic carbonyl small molecules cathode materials in alkali-ion batteries: Principles, recent progresses, strategies and prospects

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Progress in Natural Science:Materials International 2025年第01期 31-50页

作者： Suping Chen Xijun Xu Tao Yang Weizhen Fan Jingwei Zhao Yanping Huo School of chemical engineering and Light Industry Guangdong University of Technology Guangdong Provincial Laboratory of Chemistry and Fine chemical engineering Jieyang center research and development center Guangzhou Tinci Materials Technology Co. Ltd. Analytical&Testing center Guangdong University of Technology

Carbonyl small molecule compounds hold great potential as cathode materials for alkali-ion batteries（AIBs） due to their environmental friendliness, structural designability, and high theoretical capacity. However, it's practical application is hindered by intrinsic drawbacks, such as low electrical conductivity and high solubility in organic electrolytes. Additionally, most carbonyl small molecule cathodes can't be charged first in half-cells due to the absence of detachable Li+/Na+/K+ions, diminishing their appeal when assembled into full cells with alkali-free anodes. This review provides a detailed overview of carbonyl-contained small molecule cathode materials centered around oxygen, including their charge storage mechanisms, solutions to overcome their drawbacks, and the latest research advancements in AIBs. This review also summarizes the electrochemical performance of carbonyl small molecules as cathodes that have been assembled in batteries. Finally, the review outlines the prospects and directions for future research on carbonyl small molecule cathodes. It is hoped that this review will offer meaningful guidance for the development of carbonyl small-molecule cathode materials in AIBs.

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