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A simple Pb-doping to achieve bonding evolution, VSn and resonant level shifting for regulating thermoelectric transport behavior of SnTe

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Journal of Materials Science & Technology 2023年第20期151卷 66-72页

作者： Xu-Ye Xin Jun Ma hong-Quan Liu Yi-Jie Gu Yan-Fang Wang hong-zhi cui College of Materials Science and Engineering Shandong University of Science and TechnologyQingdao 266590China School of Mechanical-electronic and Vehicle Engineering Weifang UniversityWeifang 261061China School of Materials Science and Engineering China University of Petroleum HuadongQingdao 266580China

The intensification of energy crises and environmental pollution inspire researchers’attention to environment-friendly SnTe thermoelectric *** this work,we achieved a lower lattice thermal conductivity and optimized the power factor via the synergistic optimization of bonding characteristic,VSn,and resonant level for the SnTe system,***-introduction produces weak bonding strength,mass fluctuation,and stress distortion,which result in lower thermal *** lowest lattice thermal conductivity achieves 0.66 W m^(–1) K^(–1) at 773 *** introduced VSn relieves loss of electrical conductivity caused by Pb-introduction,and it also makes the bigger g(E)and up-shift of resonance *** VSn,enhanced g(E),and resonant level make electrical conductivity and Seebeck coefficient enhance ***,the further optimization of thermal and electronic transport performance contributes to a higher ZT value of∼0.86 at 773 K in the Sn_(0.685)Pb_(0.285)In_(0.015)Te_(0.7)Se_(0.3) *** strategy of bonding characteristic,VSn,and resonant level synergistic engineering will be widely applicable to various TE systems for achieving better thermoelectric performance.

关键词： SnTe-based material Low thermal conductivity Projected crystal orbital hamiltonian populations VSn Resonant level

Structure stability, electronic property and voltage profile of LiFe_(1-n)NnP_(1-m)M_(m)O_(4) olivine cathode material

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Rare Metals 2021年第12期40卷 3512-3519页

作者： zhi-hong cui Xue-Feng Lu Jian-Hua Luo Xin Guo hong-Tao Xue Fu-Ling Tang State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metal Department of Materials Science and EngineeringLanzhou University of TechnologyLanzhou 730050China

First-principles computational studies under density functional theory(DFT) framework were used to investigate the structural stability, conductivity and voltage profile of LiFe_(1-n)NnP_(1-m)M_(m)O_(4)(N, M = Si or S) electrode materials. It is found that the Li FeP_(7/8)Si_(1/8)O_(4) system has the most stable structure. After doping, the band gap values of the systems decrease gradually, and LiFe_(7/8)S_(1/8)PO_(4) system has a minimum band gap of 1.553 e V, attributed to the hybridization of the Fe-d and S-p orbital electrons. The Li Fe P7/8 S1/8 O4 system demonstrates the characteristic of n-type semiconductor, and other doping systems have the feature of p-type semiconductor. Charge density difference maps show that the covalent property of Si-O bond is enhanced in the Li FeP_(7/8)Si_(1/8)O_(4) system. The average distance of Li and O atoms in the S doping systems increases from 0.21026 to 0.21486 and 0.21129 nm, respectively,indicating that doping broadens significantly the channel of Li ion de-intercalation in LiFe_(7/8)S_(1/8)PO_(4) and LiFeP_(7/8)S_(1/8)O_(4). Additionally, the results of lithium intercalation potential imply that the voltages of the doping systems fallinto the range of 2.23-2.86 V.

关键词： Energy storage materials First principles Battery cathode LiFePO_(4) Doping Electronic properties

Atmospheric Corrosion of AZ31B Magnesium Alloy in the Antarctic Low-Temperature Environment

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Acta Metallurgica Sinica(English Letters) 2023年第9期36卷 1421-1432页

作者： Xi-Zhao Shi Zhong-Yu cui Jie Li Bing-Chen Hu Yi-Qiang An Xin Wang hong-zhi cui School of Materials Science and Engineering Ocean University of ChinaQingdao266100China Polar Research Institute of China Shanghai200136China

In this work,the outdoor corrosion behavior of AZ31B magnesium alloy in the Antarctic atmospheric environment was *** surface corrosion state of the specimens exposed to the Antarctic atmosphere for 1 month and 24 months differ *** corrosion rate after 1 month during the summer season was 19.82 g/m^(2)·year and it decreased to 13.87 g/m^(2)·year after two years’*** is initiated with pitting corrosion and then evolved to uniform corrosion with prolonging exposure *** skyward surface exhibited a much severe corrosion than that of the groundward surface,attributed to the long-term existence of the adsorbed electrolyte *** corrosion products formed on the alloy exposed in Antarctica environment were MgCO_(3)·3H_(2)O,MgCO_(3)·5H_(2)O and Mg_(2)CO_(3)(OH)_(2)·0.5H_(2)O,with the MgCO_(3)·3H_(2)O as the dominant phase in the initial stage and the Mg_(2)CO_(3)(OH)_(2)·0.5H_(2)O as the dominant phase after long-term exposure.

关键词： Magnesium alloy Corrosion products Antarctica Low temperature

Fabrication,Pore Structures and Mechanical Properties of (TiB_2–Al_2O_3)/NiAl Porous Composites

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Acta Metallurgica Sinica(English Letters) 2017年第12期30卷 1145-1154页

作者： Jie Wu Zhao-Tai Yang hong-zhi cui Na Wei Xiao-Jie Song School of Materials Science and Engineering Shandong University of Science and Technology Qingdao 266590 China

Open-celled porous （TiB2-Al2O3）/NiAl composites were successfully fabricated by using spherical carbamide as space holders via self-propagating high-temperature synthesis （SHS）. Effects of 10Al-3B2O3-3TiO2 contents （0-20 wt%） on the pore structures and the quasi-static compressive behaviors of the resultant materials were investigated. The porous （TiBE-Al2O3）/NiAl composites exhibit composite pore structure consisting of homogeneously distributed and interconnected millimeter pores and micropores. The millimeter pores virtually inherit the shape and size of carbamide particles, while the pore size of micropores increases with increasing the 10Al-3BEO3-3TiO2 content. Depending on the volume fraction of the carbamide, the porosity of the porous materials can be easily controlled in a range of 55%-85%. When the porosity is about 72%, the compressive strengths of porous NiAl and porous （TiBE-Al203）/NiAl composite with 15% 10Al-3B2O3-3TiO2 in green compact are 19 and 32 MPa, and the corresponding strains are 2.9% and 5.7%, respectively. Furthermore, the quasi-static compressive behavior of porous （TiB2-AlEO3）/NiAl composites can be estimated by Gibson-Ashby model.

关键词： Self-propagating high-temperature synthesis (SHS) Pore structure Compressive properties Porous (TiB2-Al2O3)/NiAI

Effects of Forming Conditions and TiC–TiB_2 Contents on the Microstructures of Self-Propagating High-Temperature Synthesized NiAl–TiC–TiB_2 Composites

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Acta Metallurgica Sinica(English Letters) 2015年第1期28卷 39-47页

作者： Na Wei hong-zhi cui Jie Wu Jun Wang Guan-Long Wang Chen Jiang School of Materials Science and Engineering Shandong University of Science and Technology

The NiAl–TiC–TiB2 composites were processed by self-propagating high-temperature synthesis（SHS） method using raw powders of Ni, Al, Ti, B4 C, TiC, and TiB2, and their microstructure and micro-hardness were investigated. The TiC–TiB2 in NiAl matrix, with contents from 10 to 30 wt%, emerged with the use of two methods： in situ formed and externally added. The results show that all final products are composed of three phases of NiAl, TiC, and TiB2. The microstructures of NiAl–TiC–TiB2 composites with in situ-formed TiC and TiB2 are fine, and all the three phases are distributed uniformly. The grains of NiAl matrix in the composites have been greatly refined, and the micro-hardness of NiAl increases from 381 HV100 to 779 HV100. However, the microstructures of NiAl–TiC–TiB2 composites with externally added TiC and TiB2 are coarse and inhomogeneous, with severe agglomeration of TiC and TiB2 particles. The samples containing externally added 30 wt% TiC–TiB2attain the micro-hardness of 485 HV100. The microstructure evolution and fracture mode of the two kinds of NiAl–TiC–TiB2 composites are different.

关键词： NiAl–TiC–TiB2 composite Self-propagating high-temperature synthesis(SHS) Forming condition TiC–TiB2 content Microstructure

Synthetic Effect of Cr and Mo Elements on Microstructure and Properties of Laser Cladding NiCrxMoy Alloy Coatings

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Acta Metallurgica Sinica(English Letters) 2020年第10期33卷 1331-1345页

作者： Wen-Ya Zhang Can-Ming Wang Jing-Xin Ji Xiao-Li Feng hong-zhi cui Qiang Song Chun-zhi Zhang College of Materials Science and Engineering Shandong University of Science and TechnologyQingdao 266590China

NiCrxMoy(x=1,1.5;y=0,0.1,0.3)alloy coatings were prepared on the Q235 substrate by laser cladding under the protection of *** phase composition,microstructure,corrosion behavior,and mechanical properties of the NiCrxMoy alloy coatings were investigated using X-ray diffraction,scanning electron microscopy,transmission electron microscopy,electrochemical tests,X-ray photoelectron spectroscopy,microhardness,and nanoindentation *** the Cr content increased,the phase composition of the coatings changed from a single face-centered cubic(FCC)structure to a dual-phase structure coexisting with body-centered cubic(BCC)and FCC structures,while the addition of Mo promoted the precipitation ofσ*** appearance of a homogeneous dual-phase structure and some amount ofσphase played a positive role in the corrosion resistance of NiCrxMoy ***^3+ ions and Mo^6+ ions in the passive film enhanced the stability of the *** nanoindentation tests showed that the nanohardness(6.71 GPa)and elastic modulus(184.40 GPa)of BCC phase were higher than those of the FCC phase(5.19 GPa and 155.26 GPa,respectively).Overall,the BCC phase andσphase improved the mechanical properties of the coatings.

关键词： NiCrMo coating Laser cladding Corrosion behavior Mechanical properties Q235 substrate

Microstructure evolution and its effect on mechanical properties of cast Ti48Al6NbxSi alloys

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China Foundry 2020年第6期17卷 416-422页

作者： Qin Xu hong-ze Fang Chao Wu Qi Wang hong-zhi cui Rui-run Chen School of Mechanical and Electrical Engineering Henan University of TechnologyZhengzhou 450001China National Key Laboratory for Precision Hot Processing of Metals Harbin Institute of TechnologyHarbin 150001China School of Materials Science and Engineering Shandong University of Science and TechnologyQingdao 266590China

In order to improve mechanical properties of TiAlNb alloys,different contents of silicon were added into Ti48Al6Nb *** Ti48Al6NbxSi (x=0,0.1,0.2,0.3,0.4 and 0.5,at.%) alloys were prepared by vacuum arc *** phase constitution,microstructure evolution and mechanical properties of the alloys were *** show that the Ti48Al6NbxSi alloys consist of γ-TiAl phase,α2-Ti3Al phase and B2 phase,and Ti5Si3 silicide phase is formed when the addition of silicon is higher than 0.3at.%.The addition of silicon leads to the decrease in γ phase and increase in α2 *** formation of silicide decreases the amount of Nb dissolved in the TiAl matrix,and therefore decreases B2 *** tests show that the ultimate strength of the alloys increases from 2,063 MPa to 2,281 MPa with an increase in silicon from 0 to 0.5at.%,while the fracture strain decreases from 34.7% to 30.8%.The increase of compressive strength and decrease of fracture strain can be attributed to the decrease of B2 phase and the formation of Ti5Si3 phase by the addition of *** strengthening mechanism is changed from solid solution strengthening when the addition of silicon is less than 0.3at.% to combination of solid solution strengthening and secondary phase strengthening when the addition of silicon is higher than 0.3at.%.

关键词： TiAl-based alloy microstructure mechanical property strengthening

Enhanced thermoelectric properties of Co_(1-x-y)Ni_(x+y)Sb_(3-x)Sn_x materials

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International Journal of Minerals,Metallurgy and Materials 2012年第3期19卷 240-244页

作者： hong-quan Liu Sheng-nan Zhang Tie-jun Zhu Xin-bing Zhao Yi-jie Gu hong-zhi cui College of Materials Science and Engineering Shandong University of Science and Technology Qingdao 266510 China State Key Laboratory of Silicon Materials Development of Materials Science and Engineering Zhejiang University Hangzhou 310027 China

Co1-x-yNix＋ySb3-xSnx polycrystals were fabricated by vacuum melting combined with hot-press sintering. The effect of alloying on the thermoelectric properties of unfilled skutterudite CO1-xNixSb3-xSnx was investigated. A leap of electrical conductivity from the Co0.93Ni0.07Sb2.93Sn0.07 sample to the Co0.88Ni0.12Sb288Sn0.12 sample occurs during the measurement of electrical conductivity, indicating the adjustment of band structure by proper alloying. The results show that alloying enhances the power factor of the materials. On the basis of alloying, the thermoelectric properties of ***.12 are improved by Ni-doping. The thermal conductivities of Ni-doping samples have no reduction, but their power factors have obvious enhancement. The power factor of Co0.81Ni0.09Sb2.88Sn0.12 reaches 3.0 mW-m-1·K-2 by Ni doping. The dimensionless thermoelectric figure of merit reaches 0.55 at 773 K for the unfilled Co0.81Ni0.19 Sb2.88Sn0.12,

关键词： thermoelectric material polycrystals skuttemdites alloying thermoelectric properties clopping

In vitro corrosion of Mg-6Zn-IMn-4Sn-1.5Nd/0.5Y alloys

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Frontiers of Materials Science 2014年第3期8卷 230-243页

作者： Rong-Chang ZENG Lei WANG Ding-Fei ZHANG hong-zhi cui En-Hou HAN College of Materials Science and Engineering Shandong University of Science and Technology Qingdao 266590 China College of Materials Science and Engineering Chongqing University Chongqing 400044 China National Engineering Center for Corrosion Control Institute of Metals Research Chinese Academy of Sciences Shenyang 110016 China

The microstructure evaluation, surface morphology, chemical compositions and phase analysis of the biomedical Mg-6Zn-IMn-4Sn-1.5Nd/0.5Y （ZMT614- 1.5Nd/0.5Y） alloys were investigated by means of optical microscopy, EPMA, X-ray EDS, XRD and FTIR. The corrosion behavior was evaluated using weight-loss measurement, hydrogen evolution, electrochemical and pH measurements, The results demonstrate that the microstructure for both ZMT614-1,5Nd alloy and ZMT614-0.5Y alloy is characterized by α-Mg and intermetallic compounds, most of which are distributed along the grain boundaries. These second phases contain Mg2Zn, Mg2Zn11, Mg2Sn and single metal Mn, together with Mg12Nd phase for the ZMT614-1.5Nd alloy, and with Mg24Y5 phase for the ZMT614-0.5Y alloy. Honeycomb-like corrosion product layers form. The corrosion resistance of the ZMT614-0.5Y alloy is higher than that of the ZMT614-1.5Nd alloy, which is ascribed to the addition of the element Y into the alloy delaying the corrosion initiation in comparison to that of Nd element in the alloy.

关键词： magnesium alloy yttrium neodymium corrosion biomaterial