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Interface engineering strategy via electron-defect trimethyl borate additive toward 4.7 V ultrahigh-nickel LiNi_(0.9)Co_(0.05)Mn_(0.05)O_(2)battery

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Journal of Energy Chemistry 2024年第5期92卷 639-647页

作者： Yilin Zhang Yuqing Chen Qiu He Jinlong Ke Wei Wang Jian-Fang Wu Peng Gao Yanhua Li Jilei Liu College of materials science and Engineering Hunan Joint International Laboratory of Advanced Materials and Technology for Clean EnergyHunan Province Key Laboratory for Advanced Carbon Materials and Applied TechnologyHunan UniversityChangsha 410082HunanChina College of materials science and Engineering Sichuan UniversityChengdu 610065SichuanChina School of materials science and Engineering Hunan Institute of TechnologyHengyang 421002HunanChina

The Li metal battery with ultrahigh-nickel cathode(LiNi_(x)M_(1-x)O_(2),M=Mn,Co,and x≥0.9)under high-voltage is regarded as one of the most promising approaches to fulfill the ambitious target of 400 Wh/***,the practical application is impeded by the instability of electrode/electrolyte interface and Ni-rich cathode *** we proposed an electron-defect electrolyte additive trimethyl borate(TMB)which is paired with the commercial carbonate electrolyte to construct highly conductive fluorine-and boron-rich cathode electrolyte interface(CEI)on LiNi_(0.9)Co_(0.05)Mn_(0.05)O_(2)(NCM90)surface and solid electrolyte interphase(SEI)on lithium metal *** modified CEI effectively mitigates the structural transformation from layered to disordered rock-salt phase,and consequently alleviate the dissolution of transition metal ions(TMs)and its“cross-talk”effect,while the enhanced SEI enables stable lithium plating/striping and thus demonstrated good compatibility between electrolyte and lithium metal *** a result,the common electrolyte with 1 wt%TMB enables 4.7 V NCM90/Li cell cycle stably over 100 cycles with 70%capacity *** work highlights the significance of the electron-defect boron compounds for designing desirable interfacial chemistries to achieve high performance NCM90/Li battery under high voltage operation.

关键词： NCM90 batteries Electrolyte additive Trimethyl borate

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An Effective Approach for the Preparation of High Performance Thermal Conductive Polymer Composites Containing Liquid Metal

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Chinese Journal of Polymer science 2024年第7期42卷 992-1001,I0010页

作者： Xin Chen Xue-Zhong Zhang Yi-Fei Yuan Chuan-Liang Chen Lian-Hu Xiong Qiang Fu Hua Deng College of Polymer science and Engineering State Key Laboratory of Polymer Materials EngineeringSichuan UniversityChengdu610065China Department of materials science and Engineering Sichuan University-Pittsburgh InstituteSichuan UniversityChengdu610065China

The preparation of high-performance thermal conductive composites containing liquid metals(LM)has attracted significant ***,the stable dispersion of LM within polymer solution and effective property contribution of liquid metals remains significant challenges that need to be *** by the properties of the dendritic structure of the tree root system in grasping the soil,“shear-induced precipitation-interfacial reset-reprotonation”processing strategy is proposed to prepare nanocomposites based on aramid micron fibers(AMFs)with hierarchical dendritic *** to the combination of van der Waals force provided by hierarchical dendritic structure,electrostatic interaction between AMFs and LM,coordinative bonding of―NH to LM,together with interfacial re-setting and multi-step protonation,several features can be achieved through such strategy:conducive to the local filler network construction,improvement of interfacial interaction,improvement of the stability of filler dispersion in the solvent,and enhancement of mechanical and thermal properties of the *** resulting AMFsp H=4/LM films demonstrate a thermal conductivity of 10.98 W·m^(-1)·K^(-1)at 70%filler content,improvement of 126.8%compared to ANFs/LM film;while maintaining a strength of~85.88 MPa,improvement of 77%compared to AMFs/LM *** also possess insulation properties,enable heat dissipation for high power *** work provides an effective strategy for the preparation of high performance polymer composites containing liquid metal.

关键词： Shear-induced Reprotonation AMFs LM Filler dispersion

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Adverse effect of niobium and boron on hot deformation behavior of sulfur-containing steel

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Journal of Iron and Steel Research(International) 2024年第1期31卷 252-263页

作者： Guo-ning He Shi-qi Wan Bo Jiang Chao-lei Zhang Ya-zheng Liu Chun-jing Wu School of materials science and Engineering University of Science and Technology BeijingBeijing100083China institute for Advanced materials and technology University of Science and Technology BeijingBeijing100083China

The hot deformation behaviors of sulfur-containing gear steel 20MnCr5 containing three different contents of Nb and B(0,0.021%Nb,and 0.024%Nb-0.0022%B)were *** compression and tenssion tests were carried out by Gleeble3800 at the austenite region from 850 to 1150℃and the adverse effects of Nb and B were analyzed by the fracture,microstructure and precipitate *** compression tests showed that the proportions of instable area in hot processing maps of 0.021%Nb and Nb-B steels were higher and the deformability of Nb free steel was *** tensile deformation experiments showed that the reduction areas of Nb free,0.021%Nb and Nb-B steels were 92%-99%,84%-98%and 67%-97%,*** addition of Nb or Nb and B inhibited the dynamic recrystallization during hot deformation,and consequently,more deformed grains were then formed in 0.021%Nb and Nb-B steels thus to obtain the microstructure with worse uniformity and then deteriorate the *** addition,the interaction between inclusions and microalloyed elements was also *** particles of 0.021%Nb and Nb-B steels dynamically precipitated during deformation and precipitated together with MnS thus to worsen the deformability,resulting in the decrease of reduction area.

关键词： Hot deformation Gear steel Processing map Dynamic recrystallization Microalloying

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Phase field modeling of grain stability of nanocrystalline alloys by explicitly incorporating mismatch strain

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Rare Metals 2024年第7期43卷 3370-3382页

作者： Min Zhou Hong-Hui Wu Yuan Wu Hui Wang Xiong-Jun Liu Sui-He Jiang Xiao-Bin Zhang Zhao-Ping Lu Beijing Advanced Innovation Center for materials Genome Engineering State Key Laboratory for Advanced Metals and MaterialsUniversity of Science and Technology Beijing institute for Carbon Neutrality University of Science and Technology institute of materials Intelligent technology Liaoning Academy of Materials

Ab st ra ct Nanocrystalline materials exhibit unique properties due to their extremely high grain boundary(GB) ***,this high-density characteristic induces grain coarsening at elevated temperatures,thereby limiting the widespread application of nanocrystalline *** experimental observations revealed that GB segregation and second-phase pinning effectively hinder GB migration,thereby improving the stability of nanocry stalline *** this study,a mouified phase-field model that integrates mismatch strain,solute segregation and precipitation was developed to evaluate the influence of lattice misfit on the thermal stability of nanocrystalline *** simulation results indicated that introducing a suitable mismatch strain can effectively enhance the microstructural stability of nanocrystalline *** synergizing precipitation with an appropriate lattice misfit,the formation of second-phase particles in the bulk grains can be suppressed,thereby facilitating solute segregation/precipitation at the *** concentrated solute segregation and precipitation at the GBs effectively hinders grain migration,thereby preventing grain *** findings provide a new perspective on the design and regulation of nanocrystalline alloys with enhanced thermal stability.

关键词： Phase field model Mismatch strain Second-phase precipitation Grain boundary segregation Nanocrystalline alloys

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Vanadium oxide nanospheres encapsulated in N-doped carbon nanofibers with morphology and defect dual-engineering toward advanced aqueous zinc-ion batteries

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Journal of Energy Chemistry 2024年第2期89卷 599-609,I0013页

作者： Yunfei Song Laiying Jing Rutian Wang Jiaxi Cui Mei Li Yunqiang Zhang School of materials science and Engineering Qilu University of Technology(Shandong Academy of Sciences)Jinan 250353ShandongChina institute of Fundamental and Frontier sciences University of Electronic Science and Technology of ChinaChengdu 610054SichuanChina

Vanadium-based electrodes are regarded as attractive cathode materials in aqueous zinc ion batteries(ZIBs)caused by their high capacity and unique layered ***,it is extremely challenging to acquire high electrochemical performance owing to the limited electronic conductivity,sluggish ion kinetics,and severe volume expansion during the insertion/extraction process of Zn^(2+).Herein,a series of V_(2)O_(3)nanospheres embedded N-doped carbon nanofiber structures with various V_(2)O_(3)spherical morphologies(solid,core-shell,hollow)have been designed for the first time by an electrospinning technique followed thermal *** N-doped carbon nanofibers not only improve the electrical conductivity and the structural stability,but also provides encapsulating shells to prevent the vanadium dissolution and aggregation of V_(2)O_(3)***,the varied morphological structures of V_(2)O_(3)with abundant oxygen vacancies can alleviate the volume change and increase the Zn^(2+)***,the phase transition between V_(2)O_(3)and Zn_XV_(2)O_(5-m)·n H_(2)O in the cycling was also *** a result,the as-obtained composite delivers excellent long-term cycle stability and enhanced rate performance for coin cells,which is also confirmed through density functional theory(DFT)*** assembled into flexible ZIBs,the sample still exhibits superior electrochemical performance,which may afford new design concept for flexible cathode materials of ZIBs.

关键词： Aqueous zinc ion batteries Vanadium trioxide Oxygen vacancy Structure evolution Phase optimization

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Thermodynamic equilibrium theory-guided design and synthesis of Mg-doped LiFe_(0.4)Mn_(0.6)PO_(4)/C cathode for lithium-ion batteries

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Journal of Energy Chemistry 2024年第4期91卷 619-627页

作者： Wei Lyu Wenlong Cai Tuan Wang Xiaobo Sun Enhao Xu Jinxuan Chen Kaipeng Wu Yun Zhang College of materials science and Engineering Sichuan UniversityChengdu 610064SichuanChina

Mn-rich LiFe_(1-x)Mn_(x)PO_(4)(x>0.5),which combines the high operation voltage of LiMnPO_(4)with excellent rate performa nce of LiFePO4,is hindered by its sluggish kinetic ***,thermodynamic equilibrium analysis of Mn^(2+)-Fe^(2+)-Mg^(2+)-C_(2)O_(4)^(2-)-H_(2)O system is used to guide the design and preparation of insitu Mg-doped(Fe_(0.4)Mn_(0.6))_(1-x)Mg_(x)C_(2)O_(4)intermediate,which is then employed as an innovative precursor to synthesize high-performance Mg-doped LiFe_(0.4)Mn_(0.6)PO_(4).It indicates that the metal ions with a high precipitation efficiency and the stoichiometric precursors with uniform element distribution can be achieved under the optimized thermodynamic ***,accelerated Li+diffusivity and reduced charge transfer resistance originating from Mg doping are verified by various kinetic *** from the contributions of inherited homogeneous element distribution,small particle size,uniform carbon layer coating,enhanced Li+migration ability and structural stability induced by Mg doping,the Li(Fe_(0.4)Mn_(0.6))_(0.97)Mg_(0.03)PO_(4)/C exhibits splendid electrochemical performance.

关键词： (Fe_(0.4)Mn_(0.6))_(1-x)MgxC_(2)0_(4) precursors Thermodynami cequilibrium Co-precipitation Mg doping Lithium-ion batteries

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Cobalt phosphide-based composites as anodes for lithium-ion batteries:From mechanism,preparation to performance

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Particuology 2024年第5期88卷 11-31页

作者： Bo Lan Yishan Wang Jialei Lu Dongdong Liu Chuncheng Wei Xueqian Zhang Xiaoxiao Huang Guangwu Wen School of materials science and Engineering Shandong University of TechnologyZibo255000China School of materials science and Engineering Harbin Institute of TechnologyHarbin150001China School of materials science and Engineering Harbin Institute of TechnologyWeihai264209China

With the further requirements of electronic products and powered vehicles,the development of a new generation with low-voltage and high-capacity anode materials is crucial for lithium-ion batteries(LIBs).Transition metal phosphides,especially cobalt phosphide(CoP)composites,have become a research hotspot for LIBs anode materials in recent years due to their high theoretical specific capacity,low polarization,and suitable voltage *** review first systematically discusses the lithium storage mechanism and preparation methods of CoP in current ***,the applications of CoP anode materials in LIBs are categorically reviewed,including the composites of CoP with various types of carbon materials and ***,the challenges and future development directions of CoP anode materials are summarized to provide guidance for further improving the lithium storage performance of CoP and its practical applications.

关键词： CoP Composites Preparation Anodes Lithium-ion batteries

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Electronic effects on radiation damage inα-iron:A molecular dynamics study

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Chinese Physics B 2024年第3期33卷 521-529页

作者：江林李敏付宝勤崔节超侯氢 Key Laboratory for Radiation Physics and technology Institute of Nuclear Science and TechnologySichuan UniversityChengdu 610064China

Iron(Fe)-based alloys,which have been widely used as structural materials in nuclear reactors,can significantly change their microstructure properties and macroscopic properties under high flux neutron irradiation during operation,thus,the problems associated with the safe operation of nuclear reactors have been put forward *** this work,a molecular dynamics simulation approach combined with electronic effects is developed for investigating the primary radiation damage process inα-***,the influence of electronic effects on the collision cascade in Fe is systematically evaluated based on two commonly used interatomic potentials for *** simulation results reveal that both electronic stopping(ES)and electron-phonon coupling(EPC)can contribute to the decrease of the number of defects in the thermal spike *** application of ES reduces the number of residual defects after the cascade evolution,whereas EPC has a reverse *** introduction of electronic effects promotes the formation of the dispersive subcascade:ES significantly changes the geometry of the damaged region in the thermal spike phase,whereas EPC mainly reduces the extent of the damaged ***,the incorporation of electronic effects effectively mitigates discrepancies in simulation outcomes when using different interatomic potentials.

关键词： radiation damage electronic effects molecular dynamics simulation α-iron

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A post-modification strategy to precisely construct dual-atom sites for oxygen reduction electrocatalysis

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Journal of Energy Chemistry 2024年第3期90卷 511-517,I0012页

作者： Juan Wang Xinyan Liu Chang-Xin Zhao Yun-Wei Song Jia-Ning Liu Xi-Yao Li Chen-Xi Bi Xin Wan Jianglan Shui Hong-Jie Peng Bo-Quan Li Jia-Qi Huang School of materials science and Engineering Beijing Institute of TechnologyBeijing 100081China Advanced Research institute of Multidisciplinary science Beijing Institute of TechnologyBeijing 100081China Beijing Key Laboratory of Green Chemical Reaction Engineering and technology Department of Chemical EngineeringTsinghua UniversityBeijing 100084China institute of Fundamental and Frontier sciences University of Electronic Science and Technology of ChinaChengdu 611731SichuanChina School of materials science and Engineering Beihang UniversityBeijing 100191China

Dual-atom catalysts(DACs) afford promising potential for oxygen reduction electrocatalysis due to their high atomic efficiency and high intrinsic ***,precise construction of dual-atom sites remains a *** this work,a post-modification strategy is proposed to precisely fabricate DACs for oxygen reduction ***,a secondary metal precursor is introduced to the primary single-atom sites to introduce direct metal-metal interaction,which ensures the formation of desired atom pair structure during the subsequent pyrolysis process and allows for successful construction of *** as-prepared FeCo-NC DAC exhibits superior oxygen reduction electrocatalytic activity with a half-wave potential of 0,91 V *** hydrogen ***-air batteries equipped with the FeCo-NC DAC demonstrate higher peak power density than those with the Pt/C *** importantly,this post-modification strategy is demonstrated universal to achieve a variety of dual-atom *** work presents an effective synthesis methodology for precise construction of catalytic materials and propels their applications in energy-related devices.

关键词： Dual-atom catalysts Electrocatalysis Oxygen reduction reaction Post-modification Zinc–air batteries

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Efficient piezo-catalytic dye degradation using piezoelectric 6H-SiC under harsh conditions

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Rare Metals 2024年第7期43卷 3173-3184页

作者： Lin-Lin Zhou Tao Yang Kang Wang Lai-Pan Zhu En-Hui Wang Kuo-Chih Chou Hai-Long Wang Xin-Mei Hou institute for Carbon Neutrality University of Science and Technology Beijing institute of Steel Sustainable technology Liaoning Academy of Materials Beijing institute of Nanoenergy and Nanosystems Chinese Academy of Sciences School of materials science Engineering Zhengzhou University Beijing Advanced Innovation Center for materials Genome Engineering Beijing University of Science and Technology

The development of novel piezoelectric catalysts against harsh conditions is indeed crucial for improving the piezo-catalytic degradation efficiency of colored organic dyes in *** this work,6H-SiC nanoparticles（NPs） are utilized to piezo-catalytic degrade rhodamine B（RhB） and methylene blue（MB） under ultrasonic vibration for the first *** degradation efficiency of RhB and MB reaches 98.8% and 98.7%within 80 *** piezoelectricity of 6H-SiC is comprehensively analyzed by the piezoresponse force microscope（PFM） and finite element method（FEM）.The strong oxidizing active free radicals generated by the continuous piezoelectric polarized electric field of 6H-SiC,i.e.,·O2-and·OH,induce the decomposition reactions of colored organic dyes in *** the dyes are proven to degrade to harmless or less-harmful products gradually during the piezo-catalysis process by high-performance liquid chromatography tandem mass spectrometry（HPLC-MS）.Moreover,RhB is also decomposed efficiently by 6HSiC NPs under acidic and alkaline *** results prove the feasibility of 6H-SiC for decomposing common water pollutants under harsh conditions and provide a new perspective for water purification.

关键词： Piezo-catalytic degradation 6H-SiC Rhodamine B (RhB) Methylene blue (MB) Harsh conditions

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