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Sintering, high-temperature stability, and thermal conductivity of (Zr, Nb, Hf, Ta)(C, N) high-entropy carbonitrides

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Ceramics International 2025年

作者： Bai, Yang Liang, Yuxin Bi, Juan Cui, Baoning Lu, Zhaopeng Wang, Huangxuan You, Xixi Li, Bangsheng School of Materials Science and Engineering Harbin Institute of Technology Harbin150001 China State Key Laboratory of Advanced Welding and Joining Harbin Institute of Technology Harbin150001 China National Key Laboratory for Precision Hot Processing of Metals Harbin Institute of Technology Harbin150001 China

High-entropy carbonitrides (HECNs), a new class of high-performance ceramics, hold great potential for high-temperature structural materials and thermal protection systems due to their excellent thermal stability and properties. For its better application, it is important to optimize the sintering temperature of HECNs and deeply investigate its thermal conductivity behavior. This study systematically investigates the thermodynamic stability, formation ability, and thermal properties of (ZrHfNbTa)CxN1-x through first-principles calculations and experimental validation. Thermodynamic calculations reveal that nitrogen incorporation reduces the sintering temperature required to achieve a stable high-entropy solid solution. Experimental validation by spark plasma sintering (SPS) shows that the sintering temperature can be reduced from 1950 °C to 1700 °C. Ab initio molecular dynamics (AIMD) simulations demonstrate that HECNs retain structural integrity at 1773 K. Thermal conductivity tests show an increase with temperature, but a decrease with higher nitrogen content, which is mainly caused by the increased scattering of phonons resulting from lattice distortions. The Debye-Callaway model fitting further elucidates the underlying thermal conductivity mechanisms. In summary, nitrogen incorporation enhances the thermodynamic stability and reduces thermal conductivity of HECN ceramics, providing valuable theoretical and experimental support for their application in high-temperature structural materials and thermal protection systems. © 2025 Elsevier Ltd and Techna Group S.r.l.

关键词： Carbon nitride

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Single copper sites dispersed on hierarchically porous carbon for improving oxygen reduction reaction towards zinc-air battery

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Nano Research 2021年第4期14卷 998-1003页

作者： Wenjie Wu Yan Liu Dong Liu Wenxing Chen Zhaoyi Song Ximin Wang Yamin Zheng Ning Lu Chunxia Wang Junjie Mao Yadong Li State Key Laboratory of Heavy Oil Processing College of New Energy and MaterialsChina University of PetroleumBeijing 102249China Key Laboratory of Functional Molecular Solids Ministry of EducationAnhui Province Key Laboratory of Optoelectric Materials Science and Technology and Anhui Laboratory of Molecule-Based MaterialsAnhui Normal UniversityWuhu 241002China State key Lab of Organic-Inorganic Composites Beijing University of Chemical TechnologyBeijing 100029China Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Department of Chemistry Tsinghua UniversityBeijing 100084China

The demand for high-performance non-precious-metal electrocatalysts to replace the noble metal-based catalysts for oxygen reduction reaction(ORR)is intensively ***,single-atomic copper sites supported on N-doped three-dimensional hierarchically porous carbon catalyst(Cu_(1)/NC)was prepared by coordination pyrolysis ***,the Cu_(1)/NC-900 catalyst not only exhibits excellent ORR performance with a half-wave potential of 0.894 V(***)in alkaline media,outperforming those of commercial Pt/C(0.851 V)and Cu nanoparticles anchored on N-doped porous carbon(CuNPs/NC-900),but also demonstrates high stability and methanol ***,the Cu_(1)/NC-900 based Zn-air battery exhibits higher power density,rechargeability and cyclic stability than the one based on Pt/*** experimental and theoretical investigations demonstrated that the excellent performance of the as-obtained Cu_(1)/NC-900 could be attributed to the synergistic effect between copper coordinated by three N atoms active sites and the neighbouring carbon defect,resulting in elevated Cu d-band centers of Cu atoms and facilitating intermediate desorption for ORR *** study may lead towards the development of highly efficient non-noble metal catalysts for applications in electrochemical energy conversion.

关键词： single atomic sites catalysts nitrogen-doped carbon materials oxygen reduction reaction carbon defect non-noble metal

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In-situ ZrB2-hBN ceramics with high strength and low elasticity

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Journal of materials Science & technology 2020年第13期47卷 186-193页

作者： Ji Zou Guo-Jun Zhang Zheng-Yi Fu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070China School of Metallurgy and Materials University of BirminghamB152TTBirminghamUK State Key Laboratory for Modification of Chemical Fibers and Polymer Materials Institute of Functional MaterialsDonghua UniversityShanghai 201620China

ZrB2 ceramics with various hexagonal BN(hBN)additions up to 37 vol%were reactively densified by spark plasma sintering using powder mixtures containing ZrB2,ZrN and ***-boron based additives effectively promoted the densification process,ZrB2 ceramics reached>99%relative density at 2000℃and an applied pressure of 60 MPa with only 5 vol%in-situ formed hBN,whereas the relative density of pure ZrB2 was only 91.2%at the same *** thehBN contents,the morphology of hBN grains gradually changed from quasi-spherical to flake dominated,which has substantial influence on their mechanical ***-situ ZrB2-10 vol%hBN ceramics demonstrated high flexural strength of 597±22 MPa,relatively low Young’s modulus of 406 GPa and good machinability,especially for the impressively large strain to failure(1.47×10^-3)which is superior to most of their counterparts in the ZrB2 based particulate reinforced ceramics.

关键词： ZrB2 Reactive sintering Spark plasma sintering Boron nitride containing ceramics Mechanical property

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Enhancement of Mechanical Properties of Nico Alloy Induced by Inhomogeneous Gradient of Solute Element Segregation

SSRN

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SSRN 2024年

作者： Liu, Di Zhang, Wei Guo, Xin Ren, Junqiang Xue, Hongtao Lu, Xuefeng State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metal Department of Materials Science and Engineering Lanzhou University of Technology Lanzhou730050 China

inhomogeneous gradient nanocrystals have better mechanical properties than uniform gradient nanocrystals. The segregation of solute elements in inhomogeneous gradient nanocrystals is expected to induce the re-enhancement of mechanical properties of alloys. In our contribution, we establish solute element segregation structures of inhomogeneous gradient structure nanocrystalline NiCo alloy, simulating tensile deformation via molecular dynamics. The results show that the segregation of solute elements in the inhomogeneous gradient structure of nanocrystals can improve the mechanical properties of the alloy, especially the structure of the intragranular segregation. The intragranular segregation of solute elements induces the decrease of grain boundary energy and greatly enhances the stability of grain boundaries. In addition, the segregation of solute elements within grains can hinder the dislocation movement to a certain extent, and the hindering effect on dislocation movement of stable grain boundaries induced by intragranular segregation of solute elements further enhances the mechanical properties of nanocrystalline alloys. This strategy of combining heterogeneous gradient structure and solute element segregation structure provides a positive and interesting perspective for the design of advanced alloys with excellent properties. © 2024, The Authors. All rights reserved.

关键词： Nanocrystals

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Boosting carrier dynamics of BiVO_(4) photoanode via heterostructuring with ultrathin BiOI nanosheets for enhanced solar water splitting

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Journal of materials Science & technology 2021年第20期79卷 21-28页

作者： Can Li Fan Feng Jie Jian Youxun Xu Fan Li Hongqiang Wang Lichao Jia Key Laboratory of Applied Surface and Colloid Chemistry National Ministry of EducationShaanxi Key Laboratory for Advanced Energy DevicesShaanxi Engineering Lab for Advanced Energy TechnologySchool of Materials Science and EngineeringShaanxi Normal University620 West Chang’an StreetXi’anShaanxi710119China State Key Laboratory of Solidification Processing Center for Nano Energy MaterialsSchool of Materials Science and EngineeringNorthwestern Polytechnical University and Shaanxi Joint Labortary of GrapheneXi’an710072China

Bismuth vanadate(BiVO_(4))has been one of the most promising candidates for solar water splitting while still suffers from poor bulk charge transport that limits its solar to hydrogen conversion *** demonstrate in this work an efficient strategy for boosting bulk charge transport of BiVO_(4) through the facile impregnation of as-prepared BiVO_(4) photoanode in the precursor solution of ultrathin BiOI *** impregnation creates increased oxygen vacancies in the bulk of BiVO_(4) through the reduction of V^(5+)to V^(4+)by I^(-),which greatly improves bulk separation efficiency for BiVO_(4)-BiOI up to 65.9%at 1.23 V_(RHE) from the original 51.9%of pure BiVO_(4).Moreover,the decoration of the BiOI nanosheets on BiVO_(4) photoanode is also beneficial for addressing the carrier dynamics at surface due to the matched energy levels of BiOI nanosheets and BiVO_(4).The introduced plenty of oxygen vacancies in the bulk of BiVO_(4) and the built-in electric field in BiVO_(4)-BiOI synergistically improve the photocurrent density at 1.23 V_(RHE) up to 3.88 mA cm^(-2).We believe that such facile impregnation strategy will pave an alternative way to the development of highly efficient BiVO_(4) photoanode.

关键词： Bismuth vanadate BiOI nanosheets Heterojunction Solution impregnation Oxygen vacancy

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Biphasic mineralized collagen-based composite scaffold for cranial bone regeneration in developing sheep

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Regenerative Biomaterials 2022年第1期9卷 280-293页

作者： Jingchuan Zheng Zhijun Zhao Yongdong Yang Shuo Wang Yonggang Zhao Yang Xiong Shuhui Yang Zhiye Qiu Tianxi Song Chunyang Zhang Xiumei Wang State Key Laboratory of New Ceramics and Fine Processing Key Laboratory of Advanced Materials of Ministry of EducationSchool of Materials Science and EngineeringTsinghua UniversityBeijing 100084China Department of Neurosurgery The First Affiliated Hospital of Baotou Medical SchoolBaotou 014010China Dongzhimen Hospital Affiliated Beijing University of Chinese Medicine Beijing 100700China Beijing Allgens Medical Science and Technology Co. Ltd.Beijing 100176China

Appropriate mechanical support and excellent osteogenic capability are two essential prerequisites of customized implants for regenerating large-sized cranial bone *** porous bone scaffolds have been widely proven to promote bone regeneration,their weak mechanical properties limit the clinical applications in ***,we applied two previously developed mineralized collagen-based bone scaffolds(MC),porous MC(pMC)and compact MC(cMC)to construct a biphasic MC composite bone scaffold(bMC)to repair the large-sized cranial bone defect in developing sheep.A supporting frame composed of cMC phase in the shape of tic–tac–toe structure was fabricated first and then embedded in pMC *** two phases had good interfacial bond,attributing to the formation of an interfacial *** in vivo performance of the bMC scaffold was evaluated by using a cranial bone defect model in 1-month-old *** computed tomography imaging,X-ray scanning and histological evaluation showed that the pMC phase in the bMC scaffold,similar to the pMC scaffold,was gradually replaced by the regenerative bone tissues with comprehensively increased bone mineral density and complete connection of bone bridge in the whole *** cMC frame promoted new bone formation beneath the frame without obvious degradation,thus providing appropriate mechanical protection and ensuring the structural integrity of the *** general,the sheep with bMC implantation exhibited the best status of survival,growth and the repair *** biphasic structural design may be a prospective strategy for developing new generation of cranioplasty materials to regenerate cranial bone defect in clinic.

关键词： mineralized collagen cranial bone defect biphasic composite scaffold,developing sheep

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Fullerenes for rechargeable battery applications:Recent developments and future perspectives

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Journal of Energy Chemistry 2021年第4期30卷 70-79页

作者： Zhipeng Jiang Yuming Zhao Xing Lu Jia Xie State Key Laboratory of Advanced Electromagnetic Engineering and Technology School of Electrical and Electronic EngineeringHuazhong University of Science and TechnologyWuhan 430074HubeiChina State Key Laboratory of Materials Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074HubeiChina Shenzhen Power Supply Bureau Co. Ltd.Shenzhen 518000GuangdongChina

The development of high-performance batteries is inseparable from the exploration of new *** them,fullerene C60 as an allotrope of carbon has many unique properties that are beneficial for battery applications,including precise structure,controllable derivatization,good solubility,and rich redox *** this review,we summarize the recent progress of fullerene-based materials in the field of rechargeable batteries and the key issues that need to be solved in the future application of *** hope this review can provide guidance and stimulate research about the applications of fullerenes in the field of energy storage.

关键词： Batteries Fullerene Carbon materials Energy storage

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Approaching strain limit of two-dimensional MoS_(2) via chalcogenide substitution

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Science Bulletin 2022年第1期67卷 45-53,M0004页

作者： Kailang Liu Xiang Chen Penglai Gong Ruohan Yu Jinsong Wu Liang Li Wei Han Sanjun Yang Chendong Zhang Jinghao Deng Aoju Li Qingfu Zhang Fuwei Zhuge Tianyou Zhai State Key Laboratory of Materials Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China Nano and Heterogeneous Materials Center School of Materials Science and EngineeringNanjing University of Science and TechnologyNanjing 210094China Department of Physics Southern University of Science and TechnologyShenzhen 518055China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Nanostructure Research CenterWuhan University of TechnologyWuhan 430070China Institutes of Physical Science and Information Technology Anhui UniversityHefei 231699China School of Physics and Technology Wuhan UniversityWuhan 430072China

Strain engineering is a promising method for tuning the electronic properties of two-dimensional(2 D)materials,which are capable of sustaining enormous strain thanks to their atomic ***,applying a large and homogeneous strain on these 2D materials,including the typical semiconductor MoS_(2),remains *** we report a facile strategy for the fabrication of highly strained MoS_(2) via chalcogenide substitution reaction(CSR)of MoTe_(2) with lattice *** MoS_(2)resulting from the sulfurized MoTe_(2) sustains ultra large in-plane strain(approaching its strength limit~10%)with great ***,the strain can be deterministically and continuously tuned to~1.5%by simply varying the processing *** to the fine control of our CSR process,we demonstrate a heterostructure of strained MoS_(2)/MoTe_(2)with abrupt ***,we verify that such a large strain potentially allows the modulation of MoS_(2) bandgap over an ultra-broad range(~1 e V).Our controllable CSR strategy paves the way for the fabrication of highly strained 2D materials for applications in devices.

关键词： Strain engineering 2D materials Chalcogenide substitution Controllable strain Lattice inheritance

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Piezoelectric ceramics with high piezoelectricity and broad temperature usage range

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Journal of Materiomics 2021年第4期7卷 683-692页

作者： Qinghu Guo Fei Li Fangquan Xia Pengbin Wang Xiaoyi Gao Hua Hao Hanxing Liu Huajun Sun Shujun Zhang State Key Laboratory Silicate Materials for Architectures Center for Smart Materials and Device IntegrationSchool of Materials Science and EngineeringWuhan University of TechnologyWuhan430070China Electronic Materials Research Laboratory Key Laboratory of the Ministry of EducationXi’an Jiaotong UniversityXi’an710049China School of Chemistry and Chemical Engineering University of JinanJinan250022China Institute for Superconducting and Electronic Materials Australian Institute of Innovative MaterialsUniversity of WollongongNew South Wales2500Australia State Key Laboratory of Advanced Technology for Materials Synthesis and Processing International School of Materials Science and EngineeringWuhan University of TechnologyWuhan430070China

There is a general observation that the Curie temperature and piezoelectric property of the ferroelectric ceramics can be enhanced only at the expense of each other,i.e.,higher piezoelectricity,lower Curie temperature,thus,limits their applications over broad temperature *** this research,Sm-modified 0.15 Pb(Mg_(1/3)Nb_(2/3))O_(3)-(0.85-x)PbZrO_(3)-xPbTiO_(3) ceramics have been studied,where excellent piezoelectric coefficients d33¼720 pC/N,d_(33)*=950 pm/V and high Curie temperature T_(C)=293℃ were simultaneously achieved for x=0.42 composition by designing the morphotropic phase boundary(MPB)with local structural *** particular significance is that a high thermal stability was observed with piezoelectric variation below 20%with temperature up to 280℃,demonstrating that the x=0.42 composition is a good candidate for piezoelectric application over broad temperature range where high temperature stability is *** work provides a good paradigm for designing highperformance piezoelectric ceramics with high thermal stability via a combination of MPB and local structural heterogeneity.

关键词： Piezoelectric ceramics Local structural heterogeneity Electromechanical response Thermal stability

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Nonautonomous Breather and Rogue Wave in Spinor Bose–Einstein Condensates with Space-Time Modulated Potentials

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Chinese Physics Letters 2023年第4期40卷 6-10页

作者：丁崔崔周勤徐四六 Houria Triki Mohammad Mirzazadeh 刘文军 Research Group of Nonlinear Optical Science and Technology School of Mathematical and Physical SciencesWuhan Textile UniversityWuhan 430200China State Key Laboratory of New Textile Materials and Advanced Processing Technologies Wuhan Textile UniversityWuhan 430200China School of Biomedical Engineering and Medical Imaging Xianning Medical CollegeHubei University of Science and TechnologyXianning 437100China Radiation Physics Laboratory Department of PhysicsFaculty of SciencesBadji Mokhtar UniversityP.O.Box 1223000 AnnabaAlgeria Department of Engineering Sciences Faculty of Technology and EngineeringEast of GuilanUniversity of GuilanRudsar-VajargahIran State Key Laboratory of Information Photonics and Optical Communications School of ScienceBeijing University of Posts and TelecommunicationsBeijing 100876China

To study controlled evolution of nonautonomous matter-wave breathers and rogue waves in spinor Bose–Einstein condensates with spatiotemporal modulation,we focus on a system of three coupled Gross–Pitaevskii equations with spacetime-dependent external potentials and temporally modulated gain-loss *** different external potentials and gain-loss distributions,various solutions for controlled nonautonomous matterwave breathers and rogue waves are derived by the Darboux transformation method,such as breathers and rogue waves on arched and constant backgrounds which have the periodic and parabolic *** of the gain-loss distribution and linear potential on the breathers and rogue waves are *** two-breathers on the arched and constant backgrounds are also derived.

关键词： Einstein Nonautonomous parabolic

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