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Energy & Environmental Materials 2024年第6期7卷 388-398页

作者： Yue Wang Yinchang Zhao Jun Ni Zhenhong Dai Department of Physics Yantai UniversityYantai 264005China State Key Laboratory of Low-Dimensional Quantum Physics Department of PhysicsTsinghua UniversityBeijing 100084China

We employ advanced first principles methodology,merging self-consistent phonon theory and the Boltzmann transport equation,to comprehensively explore the thermal transport and thermoelectric properties of ***,the study accounts for the impact of quartic anharmonicity on phonon group velocities in the pursuit of lattice thermal conductivity and investigates 3ph and 4ph scattering processes on phonon *** various methodologies,including examining atomic vibrational modes and analyzing 3ph and 4ph scattering processes,the article unveils microphysical mechanisms contributing to the lowκL within *** features include significant anisotropy in Cd atoms,pronounced anharmonicity in K atoms,and relative vibrations in non-equivalent As atomic *** atoms,situated between As layers,exhibit rattling modes and strong lattice anharmonicity,contributing to the observed lowκ*** flat bands near the valence band maximum translate into high PF,aligning with ultralowκL for exceptional thermoelectric *** optimal temperature and carrier concentration doping,outstanding ZT values are achieved:4.25(a(b)-axis,p-type,3×10^(19)cm^(−3),500 K),0.90(c-axis,p-type,5×10^(20)cm^(−3),700 K),1.61(a(b)-axis,n-type,2×10^(18)cm^(−3),700 K),and 3.06(c-axis,n-type,9×10^(17)cm^(−3),700 K).

关键词： anharmonic lattice dynamics electron transport characteristics first principles calculation lattice thermal transport octahedron thermoelectric properties

Roles of concentration-dependent Cu doping behaviors on the thermoelectric properties of n-type Mg_(3)Sb_(1.5)Bi_(0.5)

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Journal of Materiomics 2024年第1期10卷 154-162页

作者： Xinxin Yang Heng Ni Xiaotong Yu Biao Cao Juanjuan Xing Qiyong Chen Lili Xi Jiandang Liu Jiye Zhang Kai Guo Jing-Tai Zhao School of Materials Science and Engineering Shanghai University99 Shangda RoadShanghai200444China Materials Genome Institute Shanghai University99 Shangda RoadShanghai200444China State Key Laboratory of Particle Detection and Electronics University of Science and Technology of ChinaHefeiAnhui230026China School of Physics and Materials Science Guangzhou UniversityGuangzhou510006China Research Center for Advanced Information Materials(CAIM) Huangpu Research&Graduate School of Guangzhou UniversitySino-Singapore Guangzhou Knowledge CityHuangpu DistrictGuangzhou510555China Key Lab of Si-based Information Materials&Devices and Integrated Circuits Design Department of Education of Guangdong ProvinceChina School of Materials Science and Engineering Guilin University of Electronic TechnologyGuilin541004China Guangxi Key Laboratory of Information Materials Guilin University of Electronic TechnologyGuilin541004China

Large Seebeck coefficients induced by high degeneracy of conduction band minimum,and low intrinsic lattice thermal conductivity originated from large lattice vibrational anharmonicity render Mg_(3)Sb_(2)as a promising n-type thermoelectric ***,we demonstrated unique concentration-dependent occupation behaviors of Cu in Mg_(3.4)Sb_(1.5)Bi_(0.49)Te_(0.01)matrix,evidenced by structural characterization and transport property *** is found that Cu atoms prefer to enter the interstitial lattice sites in Mg_(3)Sb_(2)host with low doping level(Mg_(3.4)Sb_(1.5)Bi_(0.49)Te_(0.01)+x%Cu,x<0.3%),acting as donors for providing additional electrons without deteriorating the carrier *** x is larger than 0.3%,the excessive Cu atoms are inclined to substitute Mg atoms,yielding acceptors to decrease the electron *** a result,the electrical conductivity of the Mg_(3.4)Sb_(1.5)Bi_(0.49)Te_(0.01)+0.3%Cu sample reaches 2.3×10^(4)S/m at 300 K,increasing by 300%compared with that of the pristine *** figure of merit zT values in the whole measured temperature range are significantly improved by the synergetic improvement of power factor and reduction of thermal *** average zT∼1.07 from 323 K to 773 K has been achieved for the Mg_(3.4)Sb_(1.5)Bi_(0.49)Te_(0.01)+0.3%Cu sample,which is about 30%higher than that of the Mg_(3.4)Sb_(1.5)Bi_(0.49)Te_(0.01) sample.

关键词： Mg_(3)Sb_(2) Cu doping Concentration-dependent occupation thermoelectric properties Average zT

thermoelectric properties of lower concentration K-doped Ca_(3)Co_(4)O_(9) ceramics

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Chinese Physics B 2018年第5期27卷 440-446页

作者： Ya-Nan Li Ping Wu Shi-Ping Zhang Sen Chen Dan Yan Jin-GuangYang Li Wang Xiu-Lan Huai Beijing Key Laboratory for Magneto-Photoelectrical Composite and Interface Science School of Mathematics and PhysicsUniversity of Science and Technology BeijingBeijing 100083China School of Energy and Environmental Engineering University of Science and Technology BeijingBeijing 100083China Institute of Engineering Thermophysics Chinese Academy of SciencesBeijing 100190China

The tuning of electron and phonon by ion doping is an effective method of improving the performances of thermoelectric materials.A series of lower concentration K-doped Ca_(3-x)K_(x)Co_(4)O_(9)(x=0,0.05,0.10,0.15)polycrystalline ceramic samples are prepared by combining citrate acid sol-gel method with cold-pressing sintering *** single-phase compositions and plate-like grain morphologies of all samples are confirmed by x-ray diffraction and field emission scanning electron *** effects of lower concentration K doping on the thermoelectric properties of the material are evaluated systematically at high temperatures(300–1026 K).Low concentration K doping causes electrical conductivity to increase up to 23%with little effect on the Seebeck ***,the thermal conductivity of K-doped sample is lower than that of the undoped sample,and the total thermal conductivity reaches a minimum value of approximately1.30 W·m^(-1)·K^(-1),which may be suppressed mainly by the phonon thermal conduction *** dimensionless figure-of-merit ZT of Ca_(2.95)K_(0.05)Co_(4)O_(9)is close to 0.22 at 1026 K,representing an improvement of about 36%compared with that of Ca_(3)Co_(4)O_(9),suggesting that lower concentration K-doped Ca_(3)Co_(4)O_(9)series materials are promising thermoelectric oxides for high-temperature applications.

关键词： Ca_(3)Co_(4)O_(9) thermoelectric properties ceramics

thermoelectric properties of an Individual Suspended Single-Crystalline Sb_(2)Se_(3)Nanowire

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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

thermoelectric properties of Bi_(1.5)Pb_(0.5)Sr_(2-x)La_xCo_2O_y polycrystalline materials

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Rare Metals 2011年第5期30卷 501-504页

作者： YE Jinqin LI Haidong HE Qinglin Department of Mathematical and Physical Sciences Henan Institute of Engineering Zhengzhou 451191 China Department of Physics Jiaozuo Teacher＇s College Jiaozuo 454001 China

Polycrystalline samples of Bi 1.5 Pb 0.5 Sr 2-x La x Co 2 O y （x = 0.1, 0.2, 0.3） with a layered structure were prepared by solid-state reaction method. All samples are p-type semiconductors. The thermoelectric properties, namely, the electric resistivity （ρ）, Seebeck coefficient （S）, and power factor （S 2 /ρ） of the samples are dependent on chemical composition. The values of ρ, S, and S 2 /ρ increase with an increase in temperature for all samples. The substitution of Pb 2＋ for Bi 3＋ and La 3＋ for Sr 2＋ improves the thermoelectric properties of the Bi 2 Sr 2 Co 2 O y system owing to the simultaneous decrease of electric resistivity and increase of Seebeck coefficient. As a result, the optimal thermoelectric property has been obtained in Bi 1.5 Pb 0.5 Sr 1.7 La 0.3 Co 2 O y and the power factor can reach 2.1 × 10-4 W·m-1 K-2 at 998 K.

关键词： cobalt layered oxides La-doping thermoelectric properties

thermoelectric properties of Li-doped Sr_(0.7)Ba_(0.3)Nb_2O_(6-δ) ceramics

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Chinese Physics B 2017年第10期26卷 423-427页

作者：张亚翠刘剑李宜陈宇飞李吉超苏文斌周昱成翟近泽王腾王春雷 School of Physics State Key Laboratory of Crystal Materials Shandong University

thermoelectric properties of Li-doped Sr0.70Ba0.30Nb2O6-δ ceramics were investigated in the temperature range from 323 K to 1073 K. The electrical conductivity increases significantly after lithium interstitial doping. However, both of the magnitudes of Seebeck coefficient and electrical conductivity vary non-monotonically but synchronously with the doping contents, indicating that doped lithium ions may not be fully ionized and oxygen vacancy may also contribute to carriers. The lattice thermal conductivity increases firstly and then decreases as the doping content increases, which is affected by competing *** performance is enhanced by lithium interstitial doping due to the increase of the power factor and the thermoelectric figure of merit reaches maximum value （0.21 at 1073 K） in the sample Sr0.70Ba0.30Li0.10Nb2O6.

关键词： Sr0.7Ba0.3Nb2O6-δ interstitial doping thermoelectric properties

thermoelectric properties of Czochralski GeSi Crystal

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Chinese Journal of Structural Chemistry 2007年第10期26卷 1247-1251页

作者：索开南张维连林健赵嘉鹏周子鹏 Semiconductor Material Institute Hebei University of Technology The 46th Research Institute CETC

In order to discuss the application possibility of SiGe crystal in thermoelectric materials, we investigated the thermoelectric properties of several silicon-germanium alloys with different content, orientation and electric conductive type. As discussed in the experiment result, the absolute value of Seebeck coefficient fluctuates from 300 to 600 μV/K in the whole temperature range. In the present paper, the relationship of Seebeck coefficient against content, orientation and electric conductive type is summarized in detail. The Seebeck coefficient of the sample with 〈111〉 orientation is smaller than that in 〈100〉 at the same temperature. Absolute value of P-type is larger than that of N-type except pure Ge. But as the temperature increases, the absolute value of pure Ge decreases many times as quickly as that of other specimens. In addition, the specimens of bulk GeSi alloy crystals for experiment were grown by the Czoehralski method through varying the pulling rate during the growing process.

关键词： SiGe alloy single crystal thermoelectric properties Seebeck coefficient

thermoelectric properties of n-type Full-Heusler Fe_(2-2x)Co_(2x) TiSn Prepared by an Ultra-fast Synthesis Process

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Journal of Wuhan University of Technology(Materials Science) 2021年第4期36卷 497-504页

作者： ZHAO Dongyan CHEN Yanning WANG Yubo ZHANG Haifeng FU Zhen WANG Shuaipeng YU Wen DU Jian WANG Wenhe QIU Junhao YAN Yonggao Beijing Engineering Research Center of High-reliability IC with Power Industrial Grade Beijing Smart-Chip Microelectronics Technology Co.Ltd.Beijing 100192China Beijing Chip Identification Technology Co. Ltd.Beijing102200China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Full-Heusler alloy Fe_(2)TiSn was predicted to be a potential thermoelectric material with high mechanical properties and ***_(2)TiSn was usually prepared by arc-melting followed by annealing for 2 weeks,which takes a long time and consumes a large amount of *** this paper,Fe_(2)TiSn was prepared by an ultra-fast method,self-propagating high-temperature synthesis (SHS) combined with spark plasma *** bulk materials with uniform element distribution,well controlled composition and relative densities of over 97.5% were *** undoped Fe_(2)TiSn samples show p-type transport *** was heavily doped at the Fe site to prepare n-type Fe_(2-2x)Co_(2x) TiSn *** thermoelectric properties measurements carried out on the Co-doped samples show a highest ZT=0.02 at 300 K,which is about tripe the performance of the pristine Fe_(2)*** study provides a new approach for the rapid and low-cost preparation of full-Heusler thermoelectric materials.

关键词： thermoelectric full-Heusler Fe2TiSn SHS thermoelectric properties

thermoelectric properties of Ca_3Co_4O_9 Ceramics

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Journal of Wuhan University of Technology(Materials Science) 2010年第2期25卷 287-290页

作者：漆小玲曾令可 College of Materials Science and Engineering South China University of Technology Educational Ministry’s Key Lab of Enhanced Heat Transfer and Energy Conservation School of Chemistry and Chemical Engineering South China University of Technology

Ca3Co4O9 ceramics were prepared using the sol-gel process with ordinary pressing sintering and their thermoelectric properties were measured from room temperature to 673 K. The experimental results show that single phase Ca3Co4O9 can be fabricated at 750-900 ℃ in different citrate acid molar proportions for 0.2-1.0. For all the oxides, both the Seebeck coefficients S and the electrical conductivitiesκincrease with the increasing temperature. The Seebeck coefficients S are all positive. The thermal conductivities κ increase with the increasing temperature also and the lattice thermal conductivityκl plays an important role to the thermal conductivity κ. The citrate acid molar proportions have a large influence on the particle sizes, which influences the thermoelectric properties of the ceramics. The figure of merit increases with the increasing temperature and reaches 4.5×10^-5 K^-1 at 573 K for the sample in the citrate acid molar proportion of 0.46.

关键词： cobaltite ceramic thermoelectric properties sol-gel method

thermoelectric properties of I-doped n-type Bi2Te3-based material prepared by hydrothermal and subsequent hot pressing

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Progress in Natural Science:Materials International 2017年第2期27卷 203-207页

作者： Fang Wu Wei Wang Xing Hu Mingsheng Tang College of Physical Engineering and Laboratory of Material Physics Zhengzhou University College of Physical and Electronic Engineering Henan Institute of Finance and Banking College of Chemistry and Molecular Engineering Zhengzhou University College of Information Engineering Zhengzhou Institute of Technology

I-doped Bi2Te3-xIx（x=0, 0.05, 0.1, 0.2） flower-like nanoparticles were synthesized by a hydrothermal method through a careful adjustment of the amount of ethylenediamine tetraacetic acid surfactant. The nanopowders of flower-like nanoparticles were hot-pressed into bulk pellets and the thermoelectric properties of the pellets were investigated. The results showed that I-doping decreased the electrical resistivity effectively, and the thermal conductivitives of the Bi2Te3-xIxbulk samples was lower because of the closer atomic mass of I compared to *** a result, a ZT value of 1.1 was attained at 448 K for the Bi2Te2.9I0.1sample.

关键词： n-type Bi2Te3 Element doping Nanostructure Hot pressing thermoelectric properties