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Deciphering and overcoming the high-voltage limitations of halide and sulfide-based all-solid-state lithium batteries

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Journal of Energy Chemistry 2025年第4期103卷 926-935页

作者： Xiang Qi Gang Wu Meng Wu Dabing Li Chao Wang Lei Gao Shichao Zhang Li-Zhen Fan Beijing Advanced Innovation Center for Materials Genome Engineering Beijing Key Laboratory for Advanced Energy Materials and TechnologiesUniversity of Science and Technology BeijingBeijing 100083China School of Materials Science and Engineering Beihang UniversityBeijing 100191China

Adopting high-voltage Ni-rich cathodes in halide and sulfide-based all-solid-state lithium batteries(ASSLBs)holds great promise for breaking through the 400 Wh kg^(-1)***,both cell configurations are confronted with intricate interfacial challenges in high-voltage regines(>4.5 V),resulting in inadequate cathode utilization and premature cell ***,contrary to previous studies,coupled with LiNi_(0.85)Co_(0.1)Mn_(0.05)O_(2)cathodes,typical halide(Li_(2)ZrCl_(6))-based cells at 4.5 V feature unlimited interfacial degradation and poor long cycle stability,while typical sulfide(Li_(6)PS_(5)Cl)-based cells feature self-limited interfacial degradation and poor initial cycle ***,this work addresses the high-voltage limitations of Li_(2)ZrCl_(6)and Li_(6)PS_(5)Cl catholyte-based cells by manipulating electrode mass fraction and tailoring interfacial composition,thereby effectively improving interfacial charge-transfer kinetics and(electro)chemical stability within *** appropriate interface design,both optimized cells at 4.5 V demonstrate remarkably increased initial discharge capacities(>195 mA h g^(-1)at0.1 C),improved cycle stabilities(>80%after 600 cycles at 0.5 C),and enhanced rate performances(>115 mA h g^(-1)at 1.0 C).This work deepens our understanding of high-voltage applications for halide/sulfide electrolytes and provides generalized interfacial design strategies for advancing high-voltage ASSLBs.

关键词： All-solid-state lithium batteries Halide solid electrolytes Sulfide solid electrolytes High voltage interface design

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Mg/Fe site-specific dual-doping to boost the performance of cobalt-free nickle-rich layered oxide cathode for high-energy lithium-ion batteries

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Journal of Energy Chemistry 2024年第4期91卷 670-679页

作者： Yunting Wang Gaohui Du Di Han Wenhao Shi Jiahao Deng Huayu Li Wenqi Zhao Shukai Ding Qingmei Su Bingshe Xu Materials Institute of Atomic and Molecular Science Shaanxi University of Science and TechnologyXi'an 710021ShanxiChina Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering Taiyuan 030024ShanxiChina Key Laboratory of Interface Science and Engineering in Advanced Materials Taiyuan University of TechnologyTaiyuan 030024ShanxiChina

Layer-type LiNi0.9Mn0.1O2is promising to be the primary cathode material for lithium-ion batteries(LIBs)due to its excellent electrochemical ***,the cathode with high nickel content suffers from severely detrimental structural transformation that causes rapid capacity ***,site-specific dual-doping with Fe and Mg ions is proposed to enhance the structural stability of *** Fe3+dopants are inserted into transition metal sites(3b)and can favorably provide additional redox potential to compensate for charge and enhance the reversibility of anionic *** Mg ions are doped into the Li sites(3a)and serve as O_(2)^(-)-Mg^(2+)-O_(2)^(-)pillar to reinforce the electrostatic cohesion between the two adjacent transition-metal layers,which further suppress the cracking and the generation of harmful phase transitions,ultimately improving the *** theoretical calculations,including Bader charge and crystal orbital Hamilton populations(COHP)analyses,confirm that the doped Fe and Mg can form stable bonds with oxygen and the electrostatic repulsion of O_(2)^(-)-O_(2)^(-)can be effectively suppressed,which effectively mitigates oxygen anion loss at the high delithiation *** dual-site doping strategy offers new avenues for understanding and regulating the crystalline oxygen redox and demonstrates significant potential for designing high-performance cobalt-free nickel-rich cathodes.

关键词： Cobalt-free Layered oxide Cathode Dual dopants Density functional theory calculation

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The amorphization strategies of two-dimensional transition metal oxide/(oxy)hydroxide nanomaterials for enhanced electrocatalytic water splitting

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稀有金属（英文版） 2025年第2期44卷 822-840页

作者： Si-Bin Duan Yu-Qing Wang Rui Cao Yi-Fei Sun Wen Zhang Rong-Ming Wang Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science The State Key Laboratory for Advanced Metals and MaterialsSchool of Mathematics and PhysicsUniversity of Science and Technology BeijingBeijing 100083China Department of Chemical& Materials Engineering The University of AucklandAuckland 1142New Zealand

Amorphous two-dimensional transition metal oxide/(oxy)hydroxide(2D TMO/TMHO)nanomaterials(NMs)have the properties of both 2D and amorphous materials,displaying outstanding physicochemical ***,they demonstrate considerable promise for use in electrocatalytic water splitting ***,the primary amorphization strategies for achieving the 2D TMO/TMHO NMs are comprehensively reviewed,includinglow-temperature reaction,rapid reaction,exchange/doping effect,ligand modulation,and interfacial energy *** integrating these strategies with various physicochemical synthesis methods,it is feasible to control the amorphization of TMO/TMHO NMs while maintaining the distinctive benefits of their 2D ***,it delves into the structural advantages of amorphous 2D TMO/TMHO NMs in electrocatalytic water splitting,particularly emphasizing recent advancements in enhancing their electrocatalytic performance through interface *** challenges and potential future directions for the precise synthesis and practical applica-tion of amorphous 2D TMO/TMHO NMs are also *** review aims to establish a theoretical foundation and offer experimental instructions for devel-oping effective and enduring electrocatalysts for water splitting.

关键词： Amorphous nanomaterials 2D materials Transition metal oxide/(oxy)hydroxide Electrocatalytic water splitting

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Microstructure Evolution and Nanomechanical Behavior of Micro-Area in Molten Pool of Selective Laser Melting(CoCrNi)_(82)Al_(9)Ti_(9)High-Entropy Alloy

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Acta Metallurgica Sinica(English Letters) 2024年第6期37卷 1019-1033页

作者： Hong-Wei Zhang Li-Wei Lan Zhe-Yu Yang Chang-Chun Li Wen-Xian Wang College of Materials Science and Engineering Taiyuan University of TechnologyTaiyuan030024China Ministry of Education Key Laboratory of Interface Science and Engineering in Advanced MaterialsTaiyuan University of TechnologyTaiyuan030024China Shanxi-Zhejiang University New Materials and Chemical Research Institute Taiyuan030032China

In this work,the phase evolution mechanism and nanomechanical properties of(CoCrNi))(82)Al_(9)Ti_(9)high-entropy alloy(HEA)prepared by selective laser melting(SLM)in the molten pool were *** HEA contains multiple primary elements and undergoes high-temperature gradient and rapid cooling during *** leads to significant inhomogeneity of nano-scale microstructure characteristics and instability of *** optimizing process parameters,the microstructure evolution at the optimal parameter volume energy density of 440 J/mm^(3)was studied.A phase transition from BCC to FCC occurred in the melt *** the micro-area of the melt pool results in a temperature rise and the combustion-induced loss of Al ***,the Ni element content increases significantly outside the melt *** process enhances the phase stability of FCC and facilitates phase ***,rapid cooling leads to the formation of distinctive ultrafine equiaxial crystals inside the melt pool,accompanied by the generation of intracrystalline needle-like nano-scale *** the melt pool,the accumulation of energy results in the formation of coarse ***,the nano-hardness inside the molten pool is remarkably high at 11.79 GPa,while the outside the molten pool is reduced to 9.58 *** the fracture toughness outside the melt pool also *** with inside the melt pool,the residual stress outside the melt pool changed from compressive to tensile stress and decreased from 603.28 to 322.84 MPa.

关键词： High-entropy alloys Selective laser melting Microstructure evolution Nanoindentation

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Carbon-based porous materials for performance-enhanced composite phase change materials in thermal energy storage:materials,fabrication and applications

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材料科学技术（英文版） 2025年第7期210卷 204-226页

作者： Lei Hu Li Zhang Wei Cui Qinyou An Ting Ma Qiuwang Wang Liqiang Mai Key Laboratory of Thermo-Fluid Science and Engineering MOEXi'an Jiaotong UniversityXi'an 710049China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing International School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing International School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China Key Laboratory of Thermo-Fluid Science and Engineering MOEXi'an Jiaotong UniversityXi'an 710049China

Latent heat thermal energy storage(TES)effectively reduces the mismatch between energy supply and demand of renewable energy sources by the utilization of phase change materials(PCMs).However,the low thermal conductivity and poor shape stability are the main drawbacks in realizing the large-scale application of ***,developing composite PCM(CPCM)based on porous supporting mate-rial provides a desirable solution to obtain performance-enhanced PCMs with improved effective thermal conductivity and shape *** all the porous matrixes as supports for PCM,three-dimensional carbon-based porous supporting material has attracted considerable attention ascribing to its high ther-mal conductivity,desirable loading capacity of PCMs,and excellent chemical compatibility with various ***,this work systemically reviews the CPCMs with three-dimensional carbon-based porous supporting ***,a concise rule for the fabrication of CPCMs is illustrated in ***,the experimental and computational research of carbon nanotube-based support,graphene-based support,graphite-based support and amorphous carbon-based support are ***,the applications of the shape-stabilized CPCMs including thermal management and thermal conversion are *** but not least,the challenges and prospects of the CPCMs are *** conclude,introducing carbon-based porous materials can solve the liquid leakage issue and essentially improve the thermal conductivity of ***,there is still a long way to further develop a desirable CPCM with higher latent heat capacity,higher thermal conductivity,and more excellent shape stability.

关键词： Thermal energy storage Phase change material Supporting material Carbon-based material Thermal conductivity Shape-stabilized composite

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Pre-existing orthorhombic embryos-induced hexagonal-orthorhombic martensitic transformation in MnNiSi_(1-x)(CoNiGe)_x alloy

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Chinese Physics B 2024年第4期33卷 691-699页

作者：张婷婷龚元元鲁子骞徐锋 MIIT Key Laboratory of Advanced Metallic and Intermetallic Materials Technology School of Materials Science and EngineeringNanjing University of Science and TechnologyNanjing 210094China

The thermal-elastic martensitic transformation from high-temperature Ni_(2)In-type hexagonal structure to low-temperature TiNiSi-type orthorhombic structure has been widely studied in MnMX(M=Ni or Co,and X=Ge or Si)***,the answer to how the orthorhombic martensite nucleates and grows within the hexagonal parent is still *** this work,the hexagonal-orthorhombic martensitic transformation in a Co and Ge co-substituted MnNiSi is *** can find some orthorhombic laths embedded in the hexagonal parent at a temperature above the martensitic transformation start temperature(M_(s)).With the the sample cooing to M_(s),the laths turn broader,indicating that the martensitic transformation starts from these pre-existing orthorhombic *** observation suggests that these pre-existing orthorhombic laths do not originate from the hexagonal-orthorhombic martensitic transformation because of the difference between atomic occupations of doping elements in the hexagonal parent and those in the preexisting orthorhombic *** phenomenological crystallographic theory and experimental investigations prove that the pre-existing orthorhombic lath and generated orthorhombic martensite have the same crystallography relationship to the hexagonal ***,the orthorhombic martensite can take these pre-existing laths as embryos and grow *** work implies that the martensitic transformation in MnNiSi_(1-x)(CoNiGe)_(x) alloy is initiated by orthorhombic embryos.

关键词： martensitic transformation MnMX alloy orthorhombic embryo crystallography relationship

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Semiconductor fibers for textile integrated electronic systems

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National science Review 2024年第6期11卷 100-101页

作者： Yuanyuan Zheng Zhen Wang Peining Chen Huisheng Peng State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular ScienceInstitute of Fiber Materials and Devices and Laboratory of Advanced Materials Fudan University

Over 5000 years of development, the functions of clothing have been mainly limited in warmth and modesty. With the development of smart fibers, fabrics are anticipated to revolutionize multidisciplinary applications, ... 详细信息

关键词： Fibers

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Flexible microwave absorbing fabrics woven by high-strength graphene-based hybrid fibers with broadband electromagnetic response

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Journal of materials science & Technology 2024年第33期200卷 93-103页

作者： Jingyuan Tang Tian Li Qian Liu Jiani Du Jiatong Li Qing Qi Fanbin Meng Key Laboratory of Advanced Technologies of Materials(Ministry of Education) School of Materials Science and EngineeringSouthwest Jiaotong UniversityChengdu 610031China

Fabrics,a class of carriers,have been pioneered in electromagnetic protection,but their microwave absorbing potential has not been fully explored for a considerable ***,aramid nanofibers(ANFs)enhanced reduced graphene oxide fabrics(ANF/rGO fabrics)were synthesized by wet spinning-chemical *** ANF/rGO fabrics can achieve the minimum reflection loss(RLmin)of−15.8 dB with a thickness of 2.7 *** this basis,ANF/rGO fabrics grown with polyaniline(ANF/rGO-PANi fabrics)through in-situ doping polymerization were *** compensates for the lack of conductivity of the dielectric fabrics,bringing higher impedance matching and attenuation *** corresponding RLmin can reach−52.3 dB under 2.9 mm and the effective absorption bandwidth(EAB)increases to 6 GHz covering the whole Ku band under 2.5 *** fabrics woven by high-strength graphene-based hybrid fibers proposed in this study provide a new angle to achieve high-efficiency microwave absorption.

关键词： Strong and tough graphene-based fibers Aramid nanofibers Microwave absorbing fabrics Microwave absorption mechanism

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Numerical simulation on directional solidification and heat treatment processes of turbine blades

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China Foundry 2024年第5期21卷 476-490页

作者： Ye-yuan Hu Ju-huai Ma Qing-yan Xu School of Materials Science and Engineering Tsinghua UniversityKey Laboratory for Advanced Materials Processing TechnologyMinistry of EducationBeijing 100084China

Study on turbine blades is crucial due to their critical role in ensuring the efficient and reliable operation of aircraft ***-based single crystal superalloys are extensively used in the hot manufacturing of turbine blades due to their exceptional high-temperature mechanical *** hot manufacturing of single crystal blades involves directional solidification and heat *** manufacturing of these blades is time-consuming,capital-intensive,and often insufficient to meet industrial *** simulation techniques have gained widespread acceptance in blade manufacturing research due to their low energy consumption,high efficiency,and rapid turnaround *** article introduces the modeling and simulation of hot manufacturing in single crystal *** discussion outlines the prevalent mathematical models employed in numerical simulations related to blade hot *** encapsulates the advancements in research concerning macro to micro-level numerical simulation techniques for directional solidification and heat treatment ***,potential future trajectories for the numerical simulation of single crystal blade hot manufacturing are also discussed.

关键词： single crystal blades Ni-based superalloy directional solidification heat treatment numerical simulation

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Significant increase in thermal conductivity of cathode material LiFePO_(4) by Na substitution:A machine learning interatomic potential-assisted investigation

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Chinese Physics B 2025年第2期34卷 463-468页

作者： Shi-Yi Li Qian Liu Yu-Jia Zeng Guofeng Xie Wu-Xing Zhou School of Materials Science and Engineering Hunan Provincial Key Laboratory of Advanced Materials for New Energy Storage and ConversionHunan University of Science and TechnologyXiangtan 411201China

LiFePO_(4) is a cathode material with good thermal stability,but low thermal conductivity is a critical *** this study,we employ a machine learning potential approach based on first-principles methods combined with the Boltzmann transport theory to investigate the influence of Na substitution on the thermal conductivity of LiFePO_(4) and the impact of Li-ion de-embedding on the thermal conductivity of Li_(3/4)Na_(1/4)FePO_(4),with the aim of enhancing heat dissipation in Li-ion *** results show a significant increase in thermal conductivity due to an increase in phonon group velocity and a decrease in phonon anharmonic scattering by Na *** addition,the thermal conductivity increases significantly with decreasing Li-ion concentration due to the increase in phonon *** work guides the improvement of the thermal conductivity of Li FePO_4,emphasizing the crucial roles of both substitution and Li-ion detachment/intercalation for the thermal management of electrochemical energy storage devices.

关键词： lattice thermal conductivity machine learning potential LiFePO_(4)

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