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Origin of shear induced‘catching bonds’on half Heusler thermoelectric compounds XFeSb(X=Nb,Ta)and SnNiY(Y=Ti,Zr,Hf)

npj Computational materials 2024年第1期10卷 2607-2614页

作者： Haoqin Ma Xiege Huang Zhongtao Lu Xiaobin Feng Bo Duan Wenjuan Li Yinhan Liu Pengcheng Zhai Guodong Li Qingjie Zhang Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics School of ScienceWuhan University of Technology430070 WuhanChina State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology430070 WuhanChina

Half Heusler materials exhibit excellent thermoelectric and mechanical properties,rendering them potential candidates for advanced thermoelectric ***,the developments on interrelated devices are impeded by their inherent brittleness and limited ***,it exists the potential ductility on half Heusler materials with face-centered cubic sub-lattices through the expectation of the occurrence of shear-induced‘catching bonds’which can result in excellent ductility on other face-centered cubic materials.

关键词： ductility cubic rendering

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Effect of Composite Composition on the Contact Angle of B_(4)C-xTiB_(2)/Cu

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Journal of Wuhan University of technology(materials Science) 2024年第5期39卷 1116-1120页

作者： HU Dong ZHANG Xin ZHANG Jinyong LEI Liwen State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics Wuhan University of TechnologyWuhan 430070China

The wetting behavior of molten Cu on the B_(4)C-xTiB_(2)ceramic composites was investigated in this *** results show that the contact angle of molten Cu alloy on B_(4)C-TiB_(2)ceramic composites is linear with the composition rate of TiB_(2)or B_(4)C while the temperature is in the range of 1300 to 1350℃,consistent with the expectation of the commonly used theoretical ***,a nonlinear relationship between the contact angle and the composition rate unexpectedly occurred at temperatures ranging from 1400 to 1500℃.The big difference of the contact angles between the molten metal and the components in the composites was found to be the key *** result identifies that the commonly used theoretical method only works at a limited difference of the contact angle of the liquid on the different phases in the composites,and fails at a big difference.

关键词： wetting B_(4)C-TiB_(2) composites interfacial reaction

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Dense dislocations induced ductile SnTe thermoelectric semiconductor over a wide range of temperatures

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Journal of materials Science & technology 2023年第13期144卷 213-218页

作者： Houjiang Yang Xiege Huang Bo Duan Luoqi Wu Hongtao Wang Xiaobin Feng Maoyuan Jiang Guodong Li Ling Zhou Pengcheng Zhai Qingjie Zhang Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics Wuhan University of TechnologyWuhan 430070China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Most inorganic thermoelectric semiconductors are intrinsically brittle,restricting the application of ther-moelectric ***,developing ductile thermoelectric materials is crucial to thermoelectric technology *** this work,single-phase SnTe bulks with dense dislocations were prepared by melting quenching combined with spark plasma *** resulting SnTe thermoelectric materials exhibited a large compressive strain of∼7.5%at room temperature,originating from high-density pre-existing mobile *** initiation of localized slip bands and preferred slip system were also identified by first-principles *** microstructural characterizations reveal that the thermal activated dislocation emission and migration lead to higher compressive strains at intermediate *** 673 K,the deformation mechanism changed from dislocation mediated to grain boundary mediated plasticity,resulting in an ultra-high compressive strain of∼42%.In sum,new insights into the mechanical behavior of SnTe thermoelectric material over a wide range of temperatures were *** work offers the dislocation engineering strategy to design ductile thermoelectric materials for flexi-ble electronics and energy systems.

关键词： SnTe Ductile thermoelectric materials Deformation mechanism Dislocation engineering

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Effect of Molecular Weight on Thermoelectric Performance of P3HT Analogues with 2-Propoxyethyl Side Chains

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Journal of Wuhan University of technology(materials Science) 2024年第2期39卷 268-281页

作者：董得福 WANG Wei ZHAN Chun LI Chenglong ZHOU Qisheng 肖生强 State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

By replacing hexyl chains in poly(3-hexylthiophene)(P3HT)with 2-propoxyethyls,four poly(3-(2-propoxyethyl)thiophene)(P3POET)homopolymers with comparable polydispersity indexes(PDI)and regioregularities were prepared herein in addition with step increment of about 7 kDa on numberaverage molecular weight(M_(n))from around 11 to 32 kDa(accordingly denoted as P11k,P18k,P25k,and P32k).When doped in film by FeCl_(3)at the optimized conditions,the maximum power factor(PF_(max))increases greatly from 4.3μW·m^(-1)·K^(-2)for P11k to 8.8μW·m^(-1)·K^(-2)for P18k,and further to 9.7μW·m^(-1)·K^(-2)for P25k,followed by a slight decrease to 9.2μW·m^(-1)·K^(-2)for *** close Seebeck coefficients(S)at PF_(max)are observed in these doped polymer films due to their consistent frontier orbital energy levels and Fermi *** main contribution to this PF_(max)evolution thus comes from the corresponding conductivities(σ).Theσvariation of the doped films can be rationally correlated with their microstructure evolution.

关键词： conjugated polymer molecular weight microstructure thermoelectric performance

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Degradation mechanism,direct regeneration and upcycling of ternary cathode material for retired lithium-ion power batteries

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Journal of Energy Chemistry 2025年第3期102卷 534-554页

作者： Juan Wang Dongqi Li Weihao Zeng Xingye Chen Yixin Zhang Shaojie Zhang Zhongpeng Li Changhao Li Shichun Mu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070HubeiChina

With the approaching of large-scale retirement of power lithium-ion batteries(LIBs),their urgent handling is required for environmental protection and resource ***,at present,substantial spent power batteries,especially for those high recovery value cathode materials,have not been greenly,sustainably,and efficiently *** to the traditional recovery method for cathode materials with high energy consumption and severe secondary pollution,the direct repair regeneration,as a new type of short-process and efficient treatment methods,has attracted widespread ***,it still faces challenges in homogenization repair,electrochemical performance decline,and scaling-up *** promote the direct regeneration technology development of failed NCM materials,herein we deeply discuss the failure mechanism of nickel-cobalt-manganese(NCM)ternary cathode materials,including element loss,Li/Ni mixing,phase transformation,structural defects,oxygen release,and surface degradation and *** on this,the detailed analysis and summary of the direct regeneration method embracing solid-phase sintering,eutectic salt assistance,solvothermal synthesis,sol-gel process,spray drying,and redox mediation are ***,the upcycling strategy for regeneration materials,such as single-crystallization and high-nickelization,structural regulation,ion doping,and surface engineering,are discussed in ***,the challenges faced by the direct regeneration and corresponding countermeasures are pointed ***,this review provides valuable guidance for the efficient and high-value recovery of failed cathode materials.

关键词： Spent NCM materials Retired lithium-ion power battery Degradation mechanism Direct regeneration Upcycling strategy

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Control of interfacial reaction and defect formation in Gd/Bi_(2)Te_(2.7)Se_(0.3) composites with excellent thermoelectric and magnetocaloric properties

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Chinese Physics B 2024年第8期33卷 474-481页

作者：薛天畅魏平刘承姗李龙舟朱婉婷聂晓蕾赵文俞 State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

The method to combine thermoelectric(TE)and magnetocaloric(MC)cooling techniques lies in developing a new material that simultaneously possesses a large TE and good MC cooling *** this work,using n-type Bi_(2)Te_(2.7)Se_(0.3)(BTS)as the TE base material and Gd as the second-phase MC material,Gd/BTS composites were prepared by the spark plasma sintering *** the composites,interfacial reaction between Gd and BTS was identified,resulting in the formation of Gd Te,which has a large impact on the electron concentration through the adjustment of defect *** MC/TE composite containing 2.5 wt%Gd exhibited a ZT value of 0.6 at 300 K,essentially retaining the original TE performance,while all the composites largely maintained the excellent MC performance of *** work provides a potential pathway to achieving high performance in MC/TE composites.

关键词： thermo-electro-magnetic energy conversion materials interfacial reaction thermoelectric performance magnetic entropy change

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Microstructure Regulation and Combustion Performance Optimization of PVDF/Al Composite Powder by Non-covalent Functionalized Graphenes

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Journal of Wuhan University of technology(materials Science) 2024年第4期39卷 904-911页

作者：易卓然 DENG Haoyuan QIN Mei 孙一 LUO Guoqiang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Graphene prepared by non-covalent modification of sulfonated poly(ether-ether-ketone)(SPG)was combined with polyvinylidene fluoride(PVDF)/Al to improve the PVDF/Al thermal conductivity while reducing the effect of the thermal resistance at the graphene-polymer *** regulation rule of SPG with different contents on the energy release of fluorine-containing system was *** the content of SPG is 4%,the peak pressure and rise rate of SPG/PVDF/Al composite powder during ignition reach the maximum of 4845.28 kPa and 8683.58 kPa/*** the content of SPG is 5%,the PVDF/Al composite powder is completely coated by SPG,and the calorific value of the material reachs the maximum of 29.094 kJ/*** the design and micro-control of the composite powder,the calorific value of the material can be effectively improved,but the improvement of the mass release rate still depends on the graphene content and surface modification state.

关键词： energetic materials PVDF/Al composites graphene modification energy release combustion

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Ultrastrong MXene film bridged by liquid metal

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Science China materials 2024年第12期67卷 4115-4116页

作者： Zhengyi Fu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Two-dimensional(2D)titanium carbide(Ti_(3)C_(2)T_(x))MXene nanosheets show promising mechanical and electrical properties,indicating great potential applications in aerospace and electronic devices,etc.[1,2].There are many assembling approaches including vacuum filtration,blade coating and layer-by-layer[3–5].However,it still remains a great challenge to realize the intrinsic performance of MXene nanosheets into macroscopic film due to low stress transfer efficiency,which usually is indued by the voids and misalignment during the assembling process[6].Thus,it remains a great challenge to assemble MXene nanosheets into high-performance macroscopic MXene films.

关键词： carbide coating film

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Valence Bands Convergence in p-Type CoSb_(3) through Electronegative Fluorine Filling

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Chinese Physics Letters 2024年第7期41卷 87-94页

作者：黄写格李家良马浩钦李昌隆刘天乐段波翟鹏程李国栋 Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics Wuhan University of TechnologyWuhan 430070China School of Civil Engineering&Architecture Wuhan Polytechnic UniversityWuhan 430023China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Band convergence is considered to be a strategy with clear benefits for thermoelectric performance,generally favoring the co-optimization of conductivity and Seebeck coefficients,and the conventional means include elemental filling to regulate the ***,the influence of the most electronegative fluorine on the CoSb_(3) band remains *** carry out density-functional-theory calculations and show that the valence band maximum gradually shifts downward with the increase of fluorine filling,lastly the valence band maximum converges to the highly degenerated secondary valence bands in fluorine-filled skutterudites.

关键词： valence Convergence bands

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Bioprocess inspired formation of calcite mesocrystals by cation-mediated particle attachment mechanism

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National Science Review 2023年第4期10卷 159-168页

作者： Qihang Wang Bicheng Yuan Wenyang Huang Hang Ping Jingjing Xie Kun Wang Weimin Wang Zhaoyong Zou Zhengyi Fu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Hubei Longzhong Laboratory

Calcite mesocrystals were proposed, and have been widely reported, to form in the presence of polymer additives via oriented assembly of nanoparticles. However, the formation mechanism and the role of polymer additives remain elusive. Here, inspired by the biomineralization process of sea urchin spine comprising magnesium calcite mesocrystals, we show that calcite mesocrystals could also be obtained via atachment of amorphous calcium carbonate(ACC) nanoparticles in the presence of inorganic zinc ***, we demonstrate that zinc ions can induce the formation of temporarily stabilized amorphous nanoparticles of less than 20 nm at a significantly lower calcium carbonate concentration as compared to pure solution, which is energetically beneficial for the atachment and occlusion during calcite growth. The cation-mediated particle atachment crystallization significantly improves our understanding of mesocrystal formation mechanisms in biomineralization and offers new opportunities to bioprocess inspired inorganic ions regulated materials fabrication.

关键词： nonclassical crystallization mesocrystal calcium carbonate zinc ion particle attachment

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