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Thermoelectric Properties of an Individual Suspended Single-Crystalline Sb_(2)Se_(3)Nanowire

Journal of Thermal Science 2022年第4期31卷 1106-1114页

作者： DU Yanzheng SHI Shaoyi MIAO Tingting MA Weigang MAI Liqiang ZHANG Xing Key Laboratory for Thermal Science and Power Engineering of Ministry of Education Department of Engineering Mechanics Tsinghua UniversityBeijing 100084China Beijing Key Laboratory of Process Fluid Filtration and Separation College of Mechanical and Transportation EngineeringChina University of PetroleumBeijing 102249China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070China

Nanowires exhibit excellent thermoelectric performance,due to the stronger quantum confinement and phonon scattering effect compared to bulk ***,it is a challenge to accurately evaluate the thermoelectric performance of *** this paper,the thermoelectric properties of an individual suspended Sb_(2)Se_(3) nanowire have been characterized by comprehensive T-type method,including thermal conductivity,electrical conductivity,Seebeck coefficient and figure of *** thermal conductivity increases from 0.57 W/(m·K)to 3.69 W/(m·K)with temperature increasing from 80 K to 320 *** lattice vibration dominates the heat conduction process,and due to its flawless crystal structure,the thermal conductivity is not lower than the reported values of bulk Sb_(2)Se_(3).The electrical conductivity increases from 7.83 S/m to 688 S/m in the temperature range of 50 K–320 K,which is a great improvement compared with the corresponding bulk *** 294 K,the Seebeck coefficient of the Sb_(2)Se_(3) nanowire is–1120μV/K and the corresponding figure of merit is 0.064.

关键词： Sb_(2)Se_(3)nanowire thermoelectric properties thermal conductivity Seebeck coefficient electrical conductivity

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In situ STEM Observation of Cation Diffusion and Surface Reconstruction at van der Waals Gaps

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Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada 2023年第1期29卷 1642-1643页

作者： Cui, Wenjun Lin, Weixiao Lu, Weichao Liu, Chengshan Gao, Zhixiao Ma, Hao Zhao, Wen Van Tendeloo, Gustaaf Sang, Xiahan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan China Nanostructure Research Center Wuhan University of Technology Wuhan China School of Materials Science and Engineering China University of Petroleum (East China) Qingdao Shandong China Electron Microscopy for Materials Science (EMAT) University of Antwerp Antwerp Belgium

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1800℃下具有优异高强度且含氧化物杂质的高熵二硼化物陶瓷

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Science China materials 2023年第5期66卷 2061-2070页

作者：柳洁杨青青邹冀王为民王新刚傅正义 State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Hubei Longzhong Laboratory Xiangyang 441000China Shanghai Institute of Ceramics Chinese Academy of SciencesShanghai 201899China

以硼热/碳热还原合成高熵二硼化物粉体为原料,在2000℃/单轴加压50 MPa条件下,经10分钟放电等离子烧结,成功制备了含有~2 vol%的氧化物和~1 vol%气孔的高熵(Ti_(0.2)Zr_(0.2)Nb_(0.2)Hf_(0.2)Ta_(0.2))B_(2)陶瓷(HEBs).经研究确认,其中... 详细信息

以硼热/碳热还原合成高熵二硼化物粉体为原料,在2000℃/单轴加压50 MPa条件下,经10分钟放电等离子烧结,成功制备了含有~2 vol%的氧化物和~1 vol%气孔的高熵(Ti_(0.2)Zr_(0.2)Nb_(0.2)Hf_(0.2)Ta_(0.2))B_(2)陶瓷(HEBs).经研究确认,其中残留氧化物是固溶少量硼和碳的m-(Hf,Zr)O_(2).室温下HEBs的弹性模量、维氏硬度和断裂韧性分别为508.5 GPa、17.7±0.4 GPa和4.2±0.2 MPa m^(1/2).烧结得到的HEBs具有优良的抗弯强度,特别是其高温强度.HEBs在室温、1600和1800℃下的四点抗折强度分别为400.4±47.0 MPa、695.9±55.9 MPa和751.6±23.2 MPa.对1800℃下断裂的HEBs样品进行了失效分析,在其拉伸和断裂面附近区域,仅在裂纹尖端和孔隙边缘发现了数量有限的位错线的存在,没有观察到位错运动的痕迹.本研究首次报道了高熵二硼化物陶瓷的高温强度,发现其强度直至1800℃并无衰减,并对其高温下的强韧化机制进行了有益的探讨.

关键词： borides high-entropy ceramics high-temperature strength mechanical properties microstructure

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Abnormal Shrinkage Behavior and Sintering Mechanism of Alumina Nanoparticles

SSRN

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SSRN 2024年

作者： Wang, Dangqiang Li, Jun Liu, Lisheng Mei, Hai Zhang, Jinyong Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics Wuhan University of Technology Wuhan China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan China

In ultrafast high-temperature sintering process, the green body can be rapidly densified during the heating stage, and many experimental researches prove that sintering temperature and heating rate play an important role. Thus, to further explore the synergistic effect of sintering temperature and heating rate on densification process and reveal the underlying mechanism, equal-sized and unequal-sized alumina nanoparticles are selected to perform molecular dynamic simulations, and sintering behaviors, microstructure evolution, atomic migration and diffusion activation entropy are monitored during heating stages. Results show that high temperature leads to the amorphization of crystal structure of nanoparticles, and fast heating rate retains large sintering driving force at high temperature, making it easier for atoms to cross the migration barrier, thereby, in addition to the enhancement of surface, lattice and interface diffusion, the appearance of viscous flow accelerate the polymerization process of the nanoparticles, leading to two different abnormal shrinkage behaviors. These findings are expected to lay the theoretical foundation for the development and popularization of ultrafast high-temperature sintering (UHS) technology. © 2024, The Authors. All rights reserved.

关键词： Heating rate

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Rechargeable metal(Li, Na, Mg, Al)-sulfur batteries: materials and advances

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Journal of Energy Chemistry 2021年第10期30卷 104-134,I0004页

作者： Xue Liu Yan Li Xu Xu Liang Zhou Liqiang Mai State Key Laboratory of Advanced Technology for Materials Synthesis and Processing International School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070HubeiChina Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen ValleyFoshan 528200GuangdongChina

Energy and environmental issues are becoming more and more severe and renewable energy storage technologies are vital to solve the *** metal(Li,Na,Mg,Al)-sulfur batteries with low-cost and earth-abundant elemental sulfur as the cathode are attracting more and more interest for electrical energy storage in recent ***-sulfur(Li-S),room-temperature sodium-sulfur(RT Na-S),magnesium-sulfur(Mg-S)and aluminum-sulfur(Al-S)batteries are the most prominent candidates among *** obvious obstacles are hampering the developments of metal-sulfur ***-S and Na-S batteries are encumbered mainly by anode dendrite issues,polysulfides shuttle and low conductivity of ***-S and Al-S batteries are short of suitable *** this review,relationships between various employed nanostructured materials and electrochemical performances of metal-sulfur batteries have been ***,the selections of suitable electrolytes,anode protection,separator modifications and prototype innovations are all crucial to the developments of metal-sulfur batteries and are discussed at the same ***,we give a review on the advances of Li-S,RT Na-S,Mg-S and Al-S batteries from the point of view of materials,and then focus on perspectives of their future developments.

关键词： Lithium sulfur batteries Sodium sulfur batteries Magnesium sulfur batteries Aluminum sulfur batteries Energy materials

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Spallation Damage Mechanisms and Microstructural Evolution in Selective Laser Melted Ti-6al-4v Under Quasi-Isentropic Loading

SSRN

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SSRN 2024年

作者： Zhang, Kaichang Li, Peibo Zhang, Yang Sun, Yi Luo, Guoqiang Shen, Qiang Hubei Longzhong Laboratory Hubei Xiangyang441000 China State Key Lab of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China

The microstructure of additively manufactured Ti-6Al-4V significantly differs from that of traditional casting processes, and this microstructural variation directly impacts the material's mechanical properties. To ensure the safety and stability of additively manufactured Ti-6Al-4V in practical applications, this study achieves controlled dynamic loading by optimizing the cross-sectional surface density of the structural gradient flyer(SGFs). It further explores material response characteristics under varying stress and strain rates by adjusting the loading rate in spallation experiments. The initial microstructure of Ti-6Al-4V produced via selective laser melting (SLM) was investigated and analyzed. Quasi-isentropic loading experiments were conducted on 6 mm thick samples at strain rates ranging from 5.07 to 12.38 × 104 s-1. The results demonstrate that, in comparison to as-cast alloys, the SLM-processed Ti-6Al-4V alloys exhibit reduced plasticity, primarily attributed to the higher cooling rates of SLM. The alloys predominantly display brittle fracture characteristics, with distinct transgranular fracture patterns. As the loading strain rate increases, the pulse width of the loading waveform progressively narrows, spall strength markedly rises, and cracks not only propagate but also enlarge. Grain refinement was evident in both the crack extension region and along the edges, accompanied by localized stress concentration, yet no signs of recrystallization were detected. The spall strength of the material exhibited heightened sensitivity to impact stresses relative to plate impact conditions. These findings offer critical theoretical insights into the potential applications of additively manufactured titanium alloys, particularly in aerospace and defense sectors. © 2024, The Authors. All rights reserved.

关键词： Grain refinement

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Electrically variable interfaces in polymer nanocomposite dielectrics

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Physical Review B 2024年第18期109卷 184205-184205页

作者： Wen-Zhi Luo Zhong-Hui Shen Yang Shen Long-Qing Chen Ce-Wen Nan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and Devices Wuhan University of Technology Wuhan 430070 China School of Materials and Microelectronics Wuhan University of Technology Wuhan 430070 China School of Materials Science and Engineering State Key Lab of New Ceramics and Fine Processing Tsinghua University Beijing 100084 China Department of Materials Science and Engineering The Pennsylvania State University University Park Pennsylvania 16802 United States

Polymer nanocomposites generally exhibit unexpected dielectric/electrical performance far beyond the sum of every component, which is mainly due to the interface effect induced by the differences in structures and properties between the nanofillers and the polymer matrix. However, understanding the capricious interface effect in different polymer nanocomposites remains a major challenge. Here, we perform density functional theory calculations to investigate the atomic/molecular configurations and local charge behaviors of heterogeneous interfaces between the fillers of perovskites, oxides, two-dimensional materials, and polar/nonpolar polymers. Our findings demonstrate that atomic reconfiguration takes place during the formation of the inorganic/organic interface in order to minimize the overall energy of the system. Significant charge accumulation occurs at heterogeneous interfaces due to electron redistribution, especially for the examples of HfO2 and negatively charged Ca2Nb3O10. When applying an electric field, local polarization, especially around the interface, will be distorted and enhanced as a result of interfacial interaction. Even for the nonpolar polymer with linear dielectric oxides such as TiO2, induced dipole moments also appear near the interface, leading to the improvement of overall polarizability. The outcomes of our study verify that the variable electrical behaviors at the interfaces are highly dependent on the feature of every component constituting the inorganic/organic interface, which offers valuable insights for optimizing the experimental design of heterogeneous interfaces in polymer nanocomposites.

关键词： Electric polarization Solid-solid interfaces Density functional calculations

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Potential-Dependent Activities in Interpreting the Reaction Mechanism of Dual-Metal Atom Catalysts for Li-Co2 Batteries

SSRN

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SSRN 2024年

作者： Liu, Xiaolin Zhou, Mengjun Liao, Xiaobin Zhao, Yan State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China State Key Laboratory of Silicate Materials for Architectures Wuhan University of Science and Technology China

The utilization of CO2 electrochemistry in energy storage has been considered as a promising power source due to its high theoretical energy density, high electrochemical potential, and ability to fix CO2. However, the low efficiency and poor reversibility of Li-CO2 evolution significantly impede the applications of Li-CO2 batteries. Herein, first-principles calculations were employed to investigate the 21 M1M2N4C active sites and explore the catalytic mechanism for the Li-CO2 evolution reaction. The adsorption and activation of CO2 on the thermodynamically stable DACs show that the TM atoms in M1M2N4C center sites with decreasing d-band center appeared to increase CO2 adsorption energy. Among the active sites, the MoMoN4C shows the most robust activation interaction with CO2 due to its high d-center and strong d-p orbital coupling. The implicit solvent CEP simulations verify the effects of dual-atom sites on the products' activities and selectivity by searching the possible reaction pathways toward the battery-discharging processes in the ether electrolyte. The decomposition of *Li2CO3 was simulated by the NEB calculations. The results prove that the MoMoN4C active site can boost the reaction dynamics and exhibit high reversibility for the Li-CO2 battery. © 2024, The Authors. All rights reserved.

关键词： Carbon dioxide

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Boosting molecular diffusion following the generalized Murray's Law by constructing hierarchical zeolites for maximized catalytic activity

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国家科学评论（英文版） 2022年第12期9卷 143-156页

作者： Ming-Hui Sun Shu-Shu Gao Zhi-Yi Hu Tarek Barakat Zhan Liu Shen Yu Jia-Min Lyu Yu Li Shu-Tao Xu Li-Hua Chen Bao-Lian Su State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Laboratory of Inorganic Materials Chemistry(CMI) University of NamurNamur B-5000Belgium Division of Analysis Sinopec Beijing Research Institute of Chemical IndustryBeijing 100013China National Engineering Laboratory for Methanol to Olefins Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Nanostructure Research Centre Wuhan University of TechnologyWuhan 430070China Laboratory of Inorganic Materials Chemistry(CMI) University of NamurNamur B-5000Belgium State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China National Engineering Laboratory for Methanol to Olefins Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China

Diffusion is an extremely critical step in zeolite catalysis that determines the catalytic performance,in particular for the conversion of bulky *** interconnected mesopores and macropores into a single microporous zeolite with the rationalized pore size at each level is an effective strategy to suppress the diffusion limitations,but remains highly challenging due to the lack of rational design ***,we demonstrate the first example of boosting molecular diffusion by constructing hierarchical Murray zeolites with a highly ordered and fully interconnected macro-meso-microporous structure on the basis of the generalized Murray's *** a hierarchical Murray zeolite with a refined quantitative relationship between the pore size at each length scale exhibited 9 and 5 times higher effective diffusion rates,leading to 2.5 and 1.5 times higher catalytic performance in the bulky 1,3,5-triisopropylbenzene cracking reaction than those of microporous ZSM-5 and ZSM-5 nanocrystals,*** concept of hierarchical Murray zeolites with optimized structural features and their design principles could be applied to other catalytic reactions for maximized performance.

关键词： catalytic cracking generalized Murray's Law hierarchical Murray structure ordered porous hierarchy zeolites

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High-Performance Ag_(2)Se/Methyl Cellulose Thermoelectric Composites for Flexible Power Generators

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Energy Material Advances 2024年第1期5卷 275-282页

作者： Zuo Xiao Qiufeng Meng Yong Du Ping Wei Jie Qin Jingyu Chen Zhongchang Wang Per Eklund School of Materials Science and Engineering Shanghai Institute of Technology100 Haiquan RoadShanghai 201418China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China The Center of Functional Materials for Working Fluids of Oil and Gas Field School of New Energy and MaterialsSouthwest Petroleum UniversityChengdu 610500China Sichuan Engineering Technology Research Center of Basalt Fiber Composites Development and Application State Key Laboratory of Oil and Gas Reservoir Geology and ExploitationSouthwest Petroleum UniversityChengdu 610500SichuanChina International Iberian Nanotechnology Laboratory Av.Mestre Jose Veiga s/n4715-330 BragaPortugal Thin Film Physics Division Department of PhysicsChemistry and Biology(IFM)Linköping UniversitySE-58183 LinköpingSweden

Flexible thermoelectric generators(FTEGs)offer a promising solution for powering wearable electronics,while their practical applications are mainly obstructed by the moderate properties of flexible thermoelectric(TE)***,flexible Ag_(2)Se nanowire(NW)/methyl cellulose(MC)composite films were developed via facile screen-printing technology combined with cold pressing and annealing treatment,and a highest power factor of 1,641.58μW m^(-1)K^(-2)at 360 K was *** reasons for the high TE performance of the Ag_(2)Se NW/MC composite films were because,after the annealing treatment,the Ag_(2)Se NWs were sintered to form conductive network structures,the crystallinity of Ag_(2)Se was markedly enhanced,and the content of insulating phase MC in the composite film was *** Ag_(2)Se NW/MC composite film held appreciable flexibility,as its room-temperature power factor(1,312.08μW m^(-1)K^(-2))can retain~93%after bending for 1,000 cycles at a radius of 4 ***,the assembled FTEG consisting of 4 strips can generate a maximal power density of 3.51 W m^(-2)at a temperature difference of 14.1 *** results open an effective and large-scale strategy for fabricating high-performance flexible TE materials and energy-harvesting devices.

关键词： annealing treatment cold pressing Ag Se nanowires methyl cellulose flexible thermoelectric generators ftegs offer thermoelectric composites flexible thermoelectric generators power factor

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