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Diameter-dependent ultra-high thermoelectric performance of ZnO nanowires

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Chinese Physics B 2024年第4期33卷 86-94页

作者：聂祎楠唐桂华李一斐张敏赵欣 MOE Key Laboratory of Thermo-Fluid Science and Engineering School of Energy and Power EngineeringXi’an Jiaotong UniversityXi’an 710049China

Zinc oxide(ZnO)shows great potential in electronics,but its large intrinsic thermal conductivity limits its thermoelectric *** this work,we explore the significant carrier transport capacity and diameter-dependent thermoelectric characteristics of wurtzite-ZnO(0001)nanowires based on first-principles and molecular dynamics *** the synergistic effect of band degeneracy and weak phonon-electron scattering,P-type(ZnO)_(73) nanowires achieve an ultrahigh power factor above 1500μW·cm^(-1)·K^(-2)over a wide temperature *** lattice thermal conductivity and carrier transport properties of ZnO nanowires exhibit a strong diameter size *** the ZnO nanowire diameter exceeds 12.72A,the carrier transport properties increase significantly,while the thermal conductivity shows a slight increase with the diameter size,resulting in a ZT value of up to 6.4 at 700 K for P-type(ZnO)_(73).For the first time,the size effect is also illustrated by introducing two geometrical configurations of the ZnO *** work theoretically depicts the size optimization strategy for the thermoelectric conversion of ZnO nanowires.

关键词： ZnO nanowire size effect thermoelectric performance deformation potential theory

GaInX_3(X=S,Se,Te):Ultra-low thermal conductivity and excellent thermoelectric performance

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Chinese Physics B 2024年第8期33卷 460-465页

作者：段志福丁长浩丁中科肖威华谢芳罗南南曾犟唐黎明陈克求 Department of Physics School of Physics and ElectronicsHunan UniversityChangsha 410082China College of Physical Science and Engineering Technology Yichun UniversityYichun 336000China

Seeking intrinsically low thermal conductivity materials is a viable strategy in the pursuit of high-performance thermoelectric ***,by using first-principles calculations and semiclassical Boltzmann transport theory,we systemically investigate the carrier transport and thermoelectric properties of monolayer Janus GaInX_(3)(X=S,Se,Te).It is found that the lattice thermal conductivities can reach values as low as 3.07 W·m^(-1)·K^(-1),1.16 W·m^(-1)·K^(-1)and 0.57 W·m^(-1)·K^(-1)for GaInS_(3),GaInSe_(3),and GaInTe_(3),respectively,at room *** notably low thermal conductivity is attributed to strong acoustic-optical phonon coupling caused by the presence of low-frequency optical phonons in GaInX_(3) ***,by integrating the charac teristics of electronic and thermal transport,the dimensionless figure of merit ZT can reach maximum values of 0.95,2.37,and 3.00 for GaInS_(3),GaInSe_(3),and GaInTe_(3),*** results suggest that monolayer Janus GaInX_(3)(X=S,Se,Te)is a promising candidate for thermoelectric and heat management applications.

关键词： thermoelectric performance thermal conductivity Boltzmann transport two-dimensional materials

Donor-acceptor conjugated copolymer with high thermoelectric performance:A case study of the oxidation process within chemical doping

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Chinese Physics B 2022年第2期31卷 80-88页

作者：陈凉君王维肖生强唐新峰 State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

The doping process and thermoelectric properties of donor-acceptor(D-A)type copolymers are investigated with the representative poly([2,6-4,8-di(5-ethylhexylthienyl)benzo[1,2-b;3,3-b]dithiophene]3-fluoro-2-[(2-ethylhexyl)-carbonyl]thieno[3,4-b]thiophenediyl))(PTB7-Th).The PTB7-Th is doped by Fe Cl;and only polarons are induced in its doped *** results reveal that the electron-rich donor units within PTB7-Th lose electrons preferentially at the initial stage of the oxidation and then the acceptor units begin to be oxidized at a high doping *** energy levels of polarons and the Fermi level of the doped PTB7-Th remain almost unchange with different doping ***,the morphology of the PTB7-Th films could be deteriorated as the doping levels are improved,which is one of the main reasons for the decrease of electrical conductivity at the later stage of *** best electrical conductivity and power factor are obtained to be 42.3 S·cm^(-1);and 33.9μW·mK^(-1),respectively,in the doped PTB7-Th film at room *** power factor is further improved to 38.3μW·mK^(-1);at 75℃.This work may provide meaningful experience for development of D-A type thermoelectric copolymers and may further improve the doping efficiency.

关键词： donor-acceptor copolymer doping oxidization process thermoelectric performance

Combinatorial screening via high-throughput preparation:thermoelectric performance optimization for n-type Bi-Te-Se film with high average zT>1

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Journal of Materials Science & Technology 2023年第29期160卷 18-27页

作者： Guangyu Han Wei Zhu Siming Guo Jie Zhou Yutong Liu Yuan Deng School of Materials Science and Engineering Beihang UniversityBeijing 100083China Research Institute for Frontier Science Beihang UniversityBeijing 100083China Key Laboratory of Intelligent Sensing Materials and Chip Integration Technology of Zhejiang Province(2021E10022) Hangzhou Innovation Institute of Beihang UniversityHangzhou 310052China

thermoelectric materials have drawn extensive interest due to the direct conversion between electricity and heat,however,it is usually a time-consuming process for applying traditional“sequential”meth-ods to grow materials and investigate their properties,especially for thermoelectric films that typically require fine microstructure ***-throughput experimental approaches can effectively accelerate materials development,but the methods for high-throughput screening of the microstructures require further *** this work,a combinatorial high-throughput optimization solution of material properties is proposed for the parallel screening and optimizing of composition and microstructure,which involves two distinctive types of high-throughput fabrication approaches for thin films,along with a new portable multiple discrete masks based high-throughput preparation ***,Bi_(2)Te_(3-x)Se_(x)thin film library with 196 throughputs for locating the optimized composition is obtained in one growth *** addition,another thin film library composed of 31 materials with traceable process parameters is built to further investigate the relationship between microstructure,process,and thermoelectric *** high-throughput screening,the Bi_(2)Te_(2.9)Se_(0.1)film with(00l)orientation is prepared with a peak zT value of 1.303 at 353 K along with a high average zT value of 1.047 in the interval from 313 to 523 *** method can be also extended to the discovery of other functional thin films with a rapid combinatorial screening of the composition and structure to accelerate material optimization.

关键词： High-throughput preparation thermoelectric performance Bi-Te-Se film Combinatorial screening

thermoelectric performance enhancement by manipulation of Sr/Ti doping in two sublayers of Ca_(3)Co_(4)O_(9)

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Journal of Advanced Ceramics 2020年第6期9卷 769-781页

作者： Li ZHANG Yichen LIU Thiam Teck TAN Yi LIU Jian ZHENG Yanling YANG Xiaojiang HOU Lei FENG Guoquan SUO Xiaohui YE Sean LI Shaanxi Key Laboratory of Green Preparation and Functionalization for Inorganic Materials School of Materials Science and EngineeringShaanxi University of Science&TechnologyXi’an 710021China UNSW Materials and Manufacturing Futures Institute School of Material Science and EngineeringThe University of New South WalesKensingtonNew South Wales2052Australia

thermoelectric(TE)performance of Ca_(3)Co_(4)O_(9)(CCO)has been investigated extensively via a doping strategy in the past ***,the doping sites of different sublayers in CCO and their contributions to the TE performance remain unrevealed because of its strong correlated electronic *** this work,Sr and Ti are chosen to realize doping at the[Ca_(2)CoO_(3)]and[CoO_(2)]sublayers in *** was found that figure of merit(ZT)at 957 K of Ti-doped CCO was improved 30% than that of undoped CCO whereas 1 at% Sr doping brought about a 150% increase in ZT as compared to undoped *** significant increase in electronic conductivity and the Seebeck coefficient are attributed to the enhanced carrier concentration and spin-entropy of Co^(4+) originating from the Sr doping effects in[Ca_(2)CoO_(3)]sublayer,which are evidenced by the scanning electron microscope(SEM),Raman,Hall,and X-ray photoelectron spectroscopy(XPS)***,the reduced thermal conductivity is attributed to the improved phonon scattering from heavier Sr doped Ca site in[Ca_(2)CoO_(3)]*** findings demonstrate that doping at Ca sites of[Ca_(2)CoO_(3)]layer is a feasible pathway to boost TE performance of CCO material through promoting the electronic conductivity and the Seebeck coefficient,and reducing the thermal conductivity *** work provides a deep understanding of the current limited ZT enhancement on CCO material and provides an approach to enhance the TE performance of other layered structure materials.

关键词： layered structures manipulation doping sites Ca_(3)Co_(4)O_(9)(CCO) spin-entropy thermoelectric performance

Realizing high thermoelectric performance in hot-pressed polycrystalline Al_(x)Sn_(1-x) Se through band engineering tuning

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Journal of Materiomics 2022年第2期8卷 475-488页

作者： Nan Xin Yifei Li Hao Shen Longyun Shen Guihua Tang MOE Key Laboratory of ThermoeFluid Science and Engineering School of Energy and Power EngineeringXi'an Jiaotong UniversityXi'anShaanxi710049China State Key Laboratory for Mechanical Behavior of Materials School of Materials Science and EngineeringXi'an Jiaotong UniversityXi'anShaanxi710049China

SnSe-based thermoelectric materials are being explored since they have potential high thermoelectric figure of *** synthesized polycrystalline Al_(x)Sn_(1-x)Se(x=0.01,0.02,0.03 and 0.04)by hot-pressing method,and combined theoretical estimation with experimental measurement to investigate the in-fluence of Al doping on thermoelectric properties of *** was found that dopant Al can effectively adjust the band structure of SnSe by introducing intermediate *** doping with low content(x=0.01 and 0.02)can introduce a single intermediate band close to the valence band maximum or conduction band minimum,achieving band engineering *** high temperature region(498 K

关键词： thermoelectric materials SnSe doped Hot-pressing thermoelectric performance Band engineering

thermoelectric performance of Cu_(2)Se bulk materials by hightemperature and high-pressure synthesis

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Journal of Materiomics 2019年第1期5卷 103-110页

作者： Lisha Xue Zhuangfei Zhang Weixia Shen Hongan Ma Yuewen Zhang Chao Fang Xiaopeng Jia Key Laboratory of Material Physics of the Ministry of Education School of Physics and EngineeringZhengzhou UniversityZhengzhou450052China National Key Laboratory of Superhard Materials Jilin UniversityChangchun130012China

Polycrystalline Cu_(2)Se bulk materials were synthesized by high-pressure and high-temperature(HPHT)*** effects of synthetic temperature and pressure on the thermoelectric properties of Cu_(2)Se materials were *** results indicate that both synthetic temperature and pressure determine the microstructure and thermoelectric performance of Cu2Se *** increase of synthetic temperature can effectively enhance the electrical conductivity and decrease the lattice thermal conductivity.A two-fold improvement in the power factor is obtained at synthetic temperature of 1000℃ compared to that obtained at room *** b-Cu2Se samples exhibit low and temperatureindependent lattice thermal conductivity ranging from 0.3 to 0.5 Wm^(-1)K^(-1) due to the intrinsic superionic feature and the abundant lattice defects produced at high pressure.A maximum zT of 1.19 at 723 K was obtained for the sample synthesized at 3 GPa and 1000℃.These findings indicate that HPHT technology is an efficient approach to synthesize Cu_(2)Se-based bulk materials.

关键词： thermoelectric performance High pressure Cu_(2)Se

Enhanced thermoelectric performance of CoSbS_(0.85)Se_(0.15) by point defect

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Rare Metals 2018年第4期37卷 326-332页

作者： Shan-Shan Zhang Ding-Feng Yang Nusrat Shaheen Xing-Chen Shen Dan-Dan Xie Yan-Ci Yan Xu Lu Xiao-Yuan Zhou Department of Applied Physics Chongqing University Institute of Microstructure and Properties of Advanced Materials Beijing University of Technology

In this study, we report the effect of Zn doping on the thermoelectric properties of CO1-xZnxSbS0.85Se0.15 solid solutions （x = 0, 0.02, 0.05, 0.08）. The results show the dimensionless figure of merit （zT） increases from 0.17 to 0.34 at 875 K for Co0.95Zn0.05SbS0.85Se0.15 sample, due to the noticeable decrease in the lattice thermal conductivity by introducing point defect, which is further confirmed by an analysis based on the Debye-Callaway- Klemens model. Meanwhile, the thermoelectric power factor is maintained at high temperatures. This work highlights the important role of point defect in improving the thermoelectric performance of CoSbS-based compounds.

关键词： CoSbS Point defect Thermal conductivity thermoelectric performance

Enhanced thermoelectric performance of PEDOT:PSS films via ionic liquid post-treatment

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Chinese Physics B 2022年第2期31卷 44-49页

作者：杨家霁李雪晶贾艳华张弜蒋庆林 Institute of Polymer Optoelectronic Materials and Devices State Key Laboratory of Luminescent Materials and DevicesSouth China University of TechnologyGuangzhou 510640China Department of Physics Jiangxi Science and Technology Normal UniversityNanchang 330013China

thermoelectric(TE)energy harvesting can effectively convert waste heat into electricity,which is a crucial technology to solve energy *** a promising candidate for energy conversion,poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate)(PEDOT:PSS)has gained significant attention owing to its easy doping,high transparency,and solution ***,the TE performance of PEDOT:PSS still needs to be further ***,different approaches have been applied for tuning the TE properties:(i)direct dipping PEDOT:PSS thin films in ionic liquid;(ii)post-treatment of the films with concentrated sulfuric acid(H_(2)SO_(4)),and then dipping in ionic ***,the same bis(trifluoromethanesulfonyl)amide(TFSI)anion and different cation salts,including 1-ethyl-3-methylimidazolium(EMIM+)and lithium(Li+),are selected to study the influence of varying cation types on the TE properties of PEDOT:*** Seebeck coefficient and electrical conductivity of the PEDOT:PSS film treated with H2SO4EMIM:TFSI increase simultaneously,and the resulting maximum power factor is 46.7μW·m^(-1)·K^(-2),which may be attributed to the ionic liquid facilitating the rearrangement of the molecular chain of *** work provides a reference for the development of organic films with high TE properties.

关键词： PEDOT:PSS ionic liquid thermoelectric performance