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Fe doping 1T phase MoS_(2)with enhanced zinc-ion storage ability and durability for high-performance aqueous zinc-ion batteries

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Rare Metals 2025年第1期44卷 253-263页

作者： Jing-Yi Liu Rong-Jie Zhe Zhan-Hong Peng Yi-Hui Song Lin-Xuan Yang Chen Qing Jun-Ling Guo Jin-Ping Liu Yunnan Key Laboratory of Opto-Electronic Information Technology College of Physics and Electronic Information TechnologyYunnan Normal UniversityKunming 650000China Country State Center for International Cooperation on Designer Low-Carbon and Environmental Materials School of Materials Science and EngineeringZhengzhou UniversityZhengzhou 450001China School of Chemistry Chemical Engineering and Life ScienceState Key Laboratory of Advanced Technology for Materials Synthesis and ProcessingWuhan University of TechnologyWuhan 430070China

As a promising cathode material for aqueous zinc-ion batteries,1T-MoS_(2)has been extensively investigated because of its facile two-dimensional ion-diffusion channels and high electrical ***,the limited number of available Zn storage sites,i.e.,limited capacity,hinders its application because the inserted Zn^(2+),which form strong electrostatic interactions with 1T-MoS_(2),preventing subsequent Zn^(2+)***,the approach of enlarging the interlayer distance to reduce electrostatic interactions has been commonly used to enhance the capacity and reduce Zn^(2+)migration ***,an enlarged interlayer spacing can weaken the van der Waals force between 1T-MoS_(2)monolayers,easily disrupting the structural ***,to address this issue,an effective strategy based on Fe doping is proposed for 1T-MoS_(2)(Fe-1T-MoS_(2)).The theoretical calculations reveal that Fe doping can simultaneously moderate the rate of decrease in the adsorption energy after gradually increasing the number of stored atoms,and enhance the electron delocalization on metal-O ***,the experiment results show that Fe doping can simultaneously activate more Zn storage sites,thus enhancing the capacity,and stabilize the structural stability for improved cycling ***,Fe-1T-MoS_(2)exhibits a larger capacity(189 mAh·g^(-1)at 0.1 A·g^(-1))and superior cycling stability(78%capacity retention after 400 cycles at 2 A·g^(-1))than pure 1T-MoS_(2).This work may open up a new avenue for constructing high-performance MoS_(2)-based cathodes.

关键词： Aqueous zinc-ion battery 1T-MoS_(2) Fe doping More Zn storage sites Enhanced structural stability

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Improvement of Mechanical Properties and Wall Thickness Uniformity of Hollow Ceramic Spheres by Biaxial Rotation Slurry Injection technology

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Journal of Wuhan University of technology(materials Science) 2025年第3期40卷 619-626页

作者： WANG Qiuyang ZHOU Jian LIU Guizhen WANG Lin DING Zhongjun State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China National Deep Sea Center Qingdao 266237China

Ceramic hollow spheres have great potential for deep-sea ***,the irregularity of the conventional molding process,among other reasons,results in low wall thickness uniformity of hollow *** solve this problem,in this work,we developed a biaxial rotation grouting process for deep-sea ceramic hollow buoyancy spheres,which improves the drawbacks of the traditional rotary grouting method that results in poor wall thickness uniformity of the hollow spheres due to its irregular rotational *** this paper,an experimental study was carried out to investigate the effects of different rotational methods,rotational speeds,rotational time,solid phase content,*** the wall thickness uniformity of ceramic hollow *** results show that the hollow floating balls prepared by the biaxial rotation method have the lowest wall thickness standard deviation(0.04)when the rotation speed is 60 rpm,the molding time is 8 min,and the solid phase content is 70 wt%.After the hydrostatic pressure test of 120 MPa,the hydrostatic compressive strength of hollow spheres prepared by the biaxial rotation method was increased by 31.67%compared with that of the traditional process.

关键词： ceramic hollow sphere biaxial rotation monolithic molding wall thickness uniformity

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Crystallographic micro-mechanism of faceted crack initiation in near-αtitanium alloy Ti6321 under room-temperature fatigue and dwell fatigue loadings

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材料科学技术（英文版） 2025年第2期205卷 109-126页

作者： Wenyuan Zhang Qiaonan Shu Jiangkun Fan Panpan Fan Xiangyi Xue Peng Jiang Minjie Lai Bing Tang Zhiqian Liao Hongchao Kou Jinshan Li State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi'an 710072China State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi'an 710072China National & Local Joint Engineering Research Center for Precision Thermoforming Technology of Advanced Metal Materials Xi'an 710072China Chongqing Innovation Center Northwestern Polytechnical UniversityChongqing 401135China Luoyang Ship Material Research Institute Luoyang 471000China

Crack initiation mechanism of dwell fatigue has always been a key problem in rationalizing the dwell effect,and it is not completely understood *** study conducted stress-controlled low-cycle fatigue and dwell fatigue tests on Ti-6Al-3Nb-2Zr-1Mo alloy with bimodal microstructure to reveal its microstruc-tural characteristics and crack initiation *** study demonstrated that the faceted primaryα nodules located near the specimen surface acted as crack initiation sites during both fatigue and dwell fatigue *** trace analysis revealed that faceted cracking occurred at(0001)basal plane with the maximum Schmid factor value through a special cracking mode referred to as(0001)twist boundary *** criteria of parameters C1 and C2 were proposed based on experimental observation and molecular dynamics simulations,which well identify candidates for(0001)twist boundary crack *** demonstrated that grain pairs combining a moderately high Schmid factor for basal slip and a well-orientated Burgers vector in the out-of-surface plane was the preferable location for surface(0001)twist-boundary crack initiation,and grain pairs combining a high Schmid factor for basal slip and a high normal stress on basal plane are perfect candidates for subsurface *** on this,phenomeno-logical models are proposed to explain the surface(0001)twist-boundary cracking mechanism from the perspective of surface extrusion-intrusion-induced micro-notches.

关键词： Titanium alloy Dwell fatigue Facet Fatigue crack initiation Crystallographic orientation

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Unraveling the impacts of intermolecular interaction on morphology evolution for highly efficient organic solar cells and modules

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Science China Chemistry 2025年第1期68卷 264-272页

作者： Xueqing Ma Yingying Cheng Yuqiang Liu Xinming Zheng Guangliu Ran Hongxiang Li Xinyue Cui Andong Zhang Wenkai Zhang Pei Cheng Wenchao Huang Zhishan Bo Beijing Key Laboratory of Energy Conversion and Storage Materials College of ChemistryBeijing Normal UniversityBeijing 100875China College of Textiles and Clothing State Key Laboratory of Bio-fibers and Eco-textilesQingdao UniversityQingdao 266071China Key State Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China Department of Physics and Applied Optics Beijing Area Major Laboratory Center for Advanced Quantum StudiesBeijing Normal UniversityBeijing 100875China State Key Laboratory of Polymer Materials Engineering College of Polymer Science and EngineeringSichuan UniversityChengdu 610065China

Understanding the effect of intermolecular interaction on the growth dynamic of active layers is critical for advancing organic solar cells(OSCs).However,the diverse structure of donors and acceptors makes the research *** with customizable structures and properties could simplify this ***,we meticulously tailor two additives of 3,4-ethylenedioxythiophene(EDOT)and 2,5-dibromo-3,4-ethylenedioxythiophene(DBEDOT),possessing distinct intermolecular interaction features to elaborate the inherent *** is found that varied interaction strengths can alter film formation *** enhanced intermolecular interaction between the DBEDOT and non-fullerene acceptor BTP-e C9-4F results in pre-aggregation and longer crystallization duration of BTP-e C9-4F,facilitating the formation of films with compact molecular packing and decent phase ***,exciton dissociation and charge transport become more ***,devices processed with DBEDOT exhibit a remarkable power conversion efficiency of 19.35%in small-area OSCs and 14.11%in bladecoated 5 cm×5 cm organic solar ***,OSCs can maintain 80%of their initial efficiency after continuous annealing at 85℃for over 2,100 h.

关键词： organic solar cell non-fullerene acceptor film growth molecular packing intermolecular interaction

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基于织构工程优化的n型Ag2Se薄膜热电性能增强研究（英文）

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Science China materials 2025年第5期68卷 1630-1637页

作者：张新洋贺丹琪陈李莎黄同露叶先锋李浩天朱婉婷聂晓蕾余健张玉魏平赵文俞张清杰 State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics Wuhan University of Technology School of Materials Science and Engineering Jiujiang University Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory

柔性热电发电技术日益被认为是为可穿戴电子设备供电的有效解决方案.然而,n型柔性薄膜的性能局限性限制了其更广泛的应用.本研究通过织构工程技术获得了高性能n型Ag2Se薄膜,在300 K时,功率因子高达2.14 mW m-1K-2.我们采用简单的蒸发镀... 详细信息

柔性热电发电技术日益被认为是为可穿戴电子设备供电的有效解决方案.然而,n型柔性薄膜的性能局限性限制了其更广泛的应用.本研究通过织构工程技术获得了高性能n型Ag2Se薄膜,在300 K时,功率因子高达2.14 mW m-1K-2.我们采用简单的蒸发镀膜技术,结合前驱体调控策略,制备了（201）取向的n型Ag2Se薄膜.实验和理论分析均表明,这种择优取向的Ag2Se薄膜具有高迁移率和高Seebeck系数.此外,纳米孔和随机面内取向结构的引入,显著散射了不同波长声子,从而使Ag2Se热导率进一步降低.最终,在363 K时,Ag2Se薄膜ZT值高达0.73.本研究不仅提出了一种调控Ag2Se薄膜晶体取向的策略方法,还为开发高性能热电薄膜材料创造了新的前景.

关键词： Ag2Se film texture engineering preferred orientation electrical properties thermoelectric performance

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The role of γ/γ interfacial spacing on the tensile behavior in lamellar TiAl alloy via molecular dynamics simulations

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Acta Mechanica Sinica 2025年第2期41卷 1-6页

作者： Xiong Zhou Shiping Wang Zhongtao Lu Xiege Huang Xiaobin Feng Jiayi Fu Wenjuan Li Pengcheng Zhai Guodong Li Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics School of ScienceWuhan University of TechnologyWuhan 430070China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

The lamellar microstructure is one of the most typical microstructures of TiAl *** are threeγ/γinterfaces with different microstructures in lamellarγ-TiAl *** this work,we investigated the deformation processes of lamellarγ-TiAl alloys with different interfacial spacing(λ)via uniaxial tensile loading using molecular dynamics simulations,including true twin(TT),pseudo-twin(PT),rotational boundary(RB),and the mixed structure(TT∥PT∥RB).The results show that in all lamellarγ-TiAl samples,the Shockley partial dislocation prefers to nucleate in the region between two neighboring ***,dislocations move towards,crossing theγ/γ***,the dislocation slippage leads to the destruction of the interface,resulting in cracks and structural *** the decrease ofλ,the ultimate strength slightly increases in the TT or PT structure ofγ-TiAl,which follows the Hall-Petch *** in general,the interfacial spacing has a slight effect on the ultimate strengths of these four structures ofγ-TiAl.

关键词： Lamellarγ-TiAl alloys γ/γinterface Ultimate strength Interfacial spacing

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Exploring the Magnetism of C_(5)/C_(2)B_(3) Heteroleptic Organolanthanide Sandwiches

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Chinese Journal of Chemistry 2025年第2期43卷 131-138页

作者： Ye-Ye Liu Qian-Cheng Luo Peng-Bo Jin Yan-Zhen Zheng Frontier Institute of Science and Technology(FIST) State Key Laboratory of Electrical Insulation and Power EquipmentMOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed MatterXi’an Key Laboratory of Electronic Devices and Material Chemistry and School of ChemistryXi’an Jiaotong UniversityXi’anShaanxi710054 China Department of Hepatobiliary Surgery and Institute of Advanced Surgical Technology and Engineering The First Affiliated Hospital of Xi’an Jiaotong UniversityXi’anShaanxi710061 China

Two families of cyclopentadienyl(Cp)/carboranyl heteroleptic sandwiched organolanthanide complexes,namely[Ln{η^(5):σ-Me_(2)C(C_(5)H_(4))(C_(2)B_(10)H_(10))}_(2)][Li(DME)_(3)](1Ln,Ln=Tb,Dy,Ho,Er)and[2-THF-2'-(μ^(2)-Cl)Li(THF)_"(3)-2,2'-Ln(nido-1,7-C_(2)B_(9)H_(11))Cp*](2Dy),were *** of 1Ln has been proposed based on the mixing-ligands idea by linking Cp and ***,the carborane cage of[Me_(2)C(C_(5)H_(4))(C_(2)B_(10)H_(10))]_(2)−deprotons and forms a mono-C−anion rather than deboron to form dicarborllide ***,the family of 1Ln features a dysprosocenium skeleton with extra two coordination of C−anions of *** coordination geometry is more like a tetrahedron if abstracting the centroids of two coordinated Cp *** this cubic-type geometry,no significant magnetic axiality is presented;only 1Dy and 1Tb show field-induced slow magnetic relaxation behavior below 10 *** by 1Ln,the free pentamethylcyclopentadienyl(Cp^(*−))and nido-dicarborllide ligands are used to sandwich central Dy3+ion,achieving heteroleptic complex *** bending angle by linking the centroid of Cp^(*−),Dy^(3+)and C_(2)B_(3)^(2−)in 2Dy is increased to 132.8(1)°.As such,the effective energy barrier for magnetic reversal(Ueff)and magnetic blocking temperature TB(ZFC)are both increased(Ueff=616(10)K;TB=6 K).The effort of further enhancing Ueff and TB in such heteroleptic organolanthanide sandwiches should rely on keeping increasing the ligand axiality.

关键词： Single-molecule magnets Heteroleptic sandwiched complexes nido-Dicarborllide Lanthanides Cyclopentadienyl

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Reduced graphene oxide-induced in-situ uniform growth of hydrated WO_(3) film for enhanced electrochromic performance

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Nano Research 2025年第4期18卷 569-577页

作者： Rui Fang Yang Liu Chunyu Shi Huihui Jin Zibo Chen Haohao Sun Ben Lv Daping He Xusheng Zheng Yuli Xiong State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China School of Science Wuhan University of TechnologyWuhan 430070China National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei 230029China Sanya Science and Education Innovation Park of Wuhan University of Technology Sanya 572000China School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China

WO_(3)-graphene electrochromic materials are widely used in electrochromic devices including smart windows and electronic displays,due to their ability to adjust optical transmittance in the visible and near-infrared ranges under low electrode ***,the uniformity of the film remains a challenge for the widely used physical mixing-coating *** this study,we present a two-dimensional material-assisted synthesis of a porous hydrated WO_(3) film(WH-rGO)based on reduced graphene oxide(rGO)nanosheets and WO_(3)(rGO-WO_(3))seed layer via a hydrothermal *** incorporation of rGO not only promotes the uniform growth of hydrated WO_(3) film,enhancing ion transport but also introduces oxygen vacancies,creating an efficient conduction pathway for charge *** resulting WH-rGO film exhibits impressive performance,achieving 71% optical modulation at 700 nm,with bleaching and coloring times of 4.2 and 1.0 *** coloration efficiency is calculated at 156.11 cm^(2)·C^(-1),and the optical modulation is maintained at 93% of the initial optical modulation after 1000 cycles applied in the +1.0 and -1.1 V potential *** work offers new insights into the role of oxygen vacancies in enhancing the electrochromic properties of hydrated WO_(3) films through the addition of *** also provides a promising approach for the synthesis of electrochromic materials,facilitating their application in smart window technologies.

关键词： electrochromic film hydrated tungsten oxide reduced graphene oxide oxygen vacancy

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Design and Dynamic Experiment of Al-Cu Graded materials Impactor with Strain Rate of 10^(4)–10^(5)/s

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稀有金属材料与工程 2025年第3期54卷 581-586页

作者： Hu Jianian Zhou Zizheng Li Yidi Chen Xiang Yang Gang Liu Jintao Zhang Jian State Key Laboratory of Precision Blasting Jianghan UniversityWuhan 430056China Hubei Key Laboratory of Blasting Engineering Jianghan UniversityWuhan 430056China Luoyang Ship Material Research Institute Luoyang 471023China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Based on simplified calculations of one-dimensional wave systems,loading pressure platform curves of Al-Cu gradient materials(GMs)impactor were *** Al-Cu GMs were prepared using tape-pressing sintering,and their acoustic properties were characterized to match the design *** parallelism of the Al-Cu GM was confirmed using a three-dimensional surface profilometry machine.A one-stage light-gas gun was used to launch the Al-Cu GM,impacting an Al-LiF target at a velocity of 400 m/*** results of the experimental strain rate demonstrate that the Al-Cu GMs can realize the precise control of the strain rate within the range of 10^(4)‒10^(5)/s in the high-speed impact experiments.

关键词： high strain rate Al-Cu graded materials impactor acoustic impedance gas gun experiment

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Modulation of the octahedral structure and potential superconductivity of La_(3)Ni_(2)O_(7)through strain engineering

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Science China(Physics,Mechanics & Astronomy) 2025年第3期68卷 145-152页

作者： Zihao Huo Zhihui Luo Peng Zhang Aiqin Yang Zhengtao Liu Xiangru Tao Zihan Zhang Shumin Guo Qiwen Jiang Wenxuan Chen Dao-Xin Yao Defang Duan Tian Cui Key Laboratory of Material Simulation Methods&Software of Ministry of Education State Key Laboratory of Superhard MaterialsCollege of PhysicsJilin UniversityChangchun130012China Center for Neutron Science and Technology Guangdong Provincial Key Laboratory of Magnetoelectric Physics and DevicesState Key Laboratory of Optoelectronic Materials and TechnologiesSchool of PhysicsSun Yat-sen UniversityGuangzhou510275China MOE Key Laboratory for Non-equilibrium Synthesis and Modulation of Condensed Matter Shaanxi Province Key Laboratory of Advanced Functional Materials and Mesoscopic PhysicsSchool of PhysicsXi’an Jiaotong UniversityXi’an710049China Institute of High Pressure Physics School of Physical Science and TechnologyNingbo UniversityNingbo315211China

The recent transport measurements of La_(3)Ni_(2)O_(7)uncovered a“right-triangle”shape of the superconducting dome in the pressure-temperature(P-T)phase *** by this,we perform theoretical first-principles studies of La_(3)Ni_(2)O_(7)with the pressure ranging from 0 to 100 ***,we reveal a pressure dependence of the Ni-d_(z^(2))electron density at the Fermi energy(n_(z)^(E_(F)))that highly coincides with such *** this basis,we further explore the electronic structure under uniaxial *** tracking the stress response of n_(z)^(E_(F)),we propose that superconductivity can be achieved by applying only ~2GPa of compression along the c *** idea is further exemplified from the perspectives of lattice distortion,band structure,Fermi surface and superconducting phase *** also discuss the possible charge modulation under the stress and provide an insight into the relation between nz E Fand the superconducting T_(c)in La_(3)Ni_(2)O_(7)*** study provides new routes to the search of high-T_(c)superconductors in future experiments.

关键词： nickelate superconductors density functional theory strong correlated systems strain engineering

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