(Ag_2Se)_(1–x)(Bi_2Se_3)_x的热电性能研究（英文）
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摘要
具有本征低晶格热导率的I-V-VI_2族三元硫属化合物在热电领域引起了广泛关注。AgBiSe_2作为这类化合物中少有的n型半导体,成为一种有潜力的热电材料。本工作系统研究了AgBiSe_2的热电性能。基于Ag_2Se-Bi_2Se二元相图,单相的(Ag_2Se)_(1–x)(Bi_2Se_3)_x的成分在x=0.4～0.62范围可调,使得该材料载流子浓度具有可调性。结果表明,通过组分调控获得了较宽范围的载体浓度1.0×10~(19)～5.7×10~(19) cm~(-3),并基于声学声子散射的单一抛物带模型对其电传输性能进行了综合评估。本研究获得的最高载流子浓度接近理论最优值,在700 K实现了最高ZT值0.5。本研究有助于深入理解AgBiSe_2的传输特性和决定热电性能的基本物理参数。
Ternary chalcogenides I-V-VI_2 compounds attract extensive attentions for thermoelectric applications due to their intrinsically low lattice thermal conductivity.AgBiSe_2,as one of a few n-type semiconductors among these compounds,shows the potential to be a promising thermoelectric material.Therefore,this work focuses on its thermoelectric properties.According to the phase diagram of Ag_2Se-Bi_2Se_3 system,the single phase region of(Ag_2Se)_(1–x)(Bi_2Se_3)_x allows x to be varied in the range of 0.4～0.62.This large variation of x suggests a tunability of carrier concentration for this material.A broad carrier concentration of 1.0×10~(19)～5.7×10~(19) cm~(-3) for single phased(Ag_2Se)_(1–x)(Bi_2Se_3)_x is obtained through a composition manipulation,which enables a comprehensive assessment on electronic transport properties based on a single parabolic band model with acoustic scattering.The highest carrier concentration obtained in this work,approaching to the theoretical optimal one,leads to a peak ZT of 0.5 at 700 K.This work offers a well understanding of its transport properties and underlying physical parameters determining the thermoelectric performance.
Ternary chalcogenides I-V-VI_2 compounds attract extensive attentions for thermoelectric applications due to their intrinsically low lattice thermal conductivity.AgBiSe_2,as one of a few n-type semiconductors among these compounds,shows the potential to be a promising thermoelectric material.Therefore,this work focuses on its thermoelectric properties.According to the phase diagram of Ag_2Se-Bi_2Se_3 system,the single phase region of(Ag_2Se)_(1–x)(Bi_2Se_3)_x allows x to be varied in the range of 0.4～0.62.This large variation of x suggests a tunability of carrier concentration for this material.A broad carrier concentration of 1.0×10~(19)～5.7×10~(19) cm~(-3) for single phased(Ag_2Se)_(1–x)(Bi_2Se_3)_x is obtained through a composition manipulation,which enables a comprehensive assessment on electronic transport properties based on a single parabolic band model with acoustic scattering.The highest carrier concentration obtained in this work,approaching to the theoretical optimal one,leads to a peak ZT of 0.5 at 700 K.This work offers a well understanding of its transport properties and underlying physical parameters determining the thermoelectric performance.
引文
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[12]LI W,WU Y,LIN S,et al.Advances in environment-friendly SnTe thermoelectrics.ACS Energy Letters,2017,2(10):2349-2355.
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[16]HONG M,CHEN Z G,YANG L,et al.Realizing zT of 2.3 in Ge1-x-ySbxInyTe via reducing the phase-transition temperature and introducing resonant energy doping.Advanced Materials,2018,30(11):1705942-1-8.
[17]HONG A J,LI L,ZHU H X,et al.Optimizing the thermoelectric performance of low-temperature SnSe compounds by electronic structure design.Journal of Materials Chemistry A,2015,3(25):13365-13370.
[18]LIU W,TAN X,YIN K,et al.Convergence of conduction bands as a means of enhancing thermoelectric performance of n-type Mg2Si1-xSnx solid solutions.Phys.Rev.Lett.,2012,108(16):166601.
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[27]POUDEL B,HAO Q,MA Y,et al.High-thermoelectric performance of nanostructured bismuth antimony telluride bulk alloys.Science,2008,320(5876):634-638.
[28]HONG M,CHEN Z G,YANG L,et al.BixSb2-xTe3 nanoplates with enhanced thermoelectric performance due to sufficiently decoupled electronic transport properties and strong wide-frequency phonon scatterings.Nano Energy,2016,20:144-155.
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[30]LI W,LIN S,ZHANG X,et al.Thermoelectric properties of Cu2SnSe4 with intrinsic vacancy.Chemistry of Materials,2016,28(17):6227-6232.
[31]HU L,ZHU T,LIU X,et al.Point defect engineering of high-performance bismuth-telluride-based thermoelectric materials.Advanced Functional Materials,2014,24(33):5211-5218.
[32]PEI Y,ZHENG L,LI W,et al.Interstitial point defect scattering contributing to high thermoelectric performance in SnTe.Advanced Electronic Materials,2016,2(6):1600019.
[33]SHEN J W,ZHANG X Y,CHEN Z W,et al.Substitutional defects enhancing thermoelectric CuGaTe2.Journal of Materials Chemistry A,2017,5(11):5314-5320.
[34]BOZHKO V V,NOVOSADОV,PARASYUK O V,et al.Influence of cation-vacancy defects on the properties of CuInSe2-Zn In2Se4solid solutions.Journal of Alloys and Compounds,2015,618:712-717.
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[37]LIU H,SHI X,XU F,et al.Copper ion liquid-like thermoelectrics.Nat.Mater.,2012,11(5):422-425.
[38]QIU W,XI L,WEI P,et al.Part-crystalline part-liquid state and rattling-like thermal damping in materials with chemical-bond hierarchy.PNAS,2014,111(42):15031-15035.
[39]LI W,LIN S,GE B,et al.Low sound velocity contributing to the high thermoelectric performance of Ag8SnSe6.Advanced Science,2016,3(11):1600196-1-7.
[40]ZHANG X,CHEN Z,LIN S,et al.Promising thermoelectric Ag5-δTe3 with intrinsic low lattice thermal conductivity.ACS Energy Letters,2017,2(10):2470-2477.
[41]LI WEN,LIN SIQI,WEISS MANUEL,et al.Crystal structure induced ultralow lattice thermal conductivity in thermoelectric Ag9AlSe6.Advanced Energy Materials,2018,8:1800030-1-8.
[42]MORELLI D T,JOVOVIC V,HEREMANS J P.Intrinsically minimal thermal conductivity in cubic I-V-VI2 semiconductors.Phys.Rev.Lett.,2008,101(3):035901-1-4.
[43]GUIN S N,NEGI D S,DATTA R,et al.Nanostructuring,carrier engineering and bond anharmonicity synergistically boost the thermoelectric performance of p-type AgSbSe2-ZnSe.Journal of Materials Chemistry A,2014,2(12):4324-4331.
[44]HONG A J,GONG J J,LI L,et al.Predicting high thermoelectric performance of ABX ternary compounds NaMgX(X=P,Sb,As)with weak electron-phonon coupling and strong bonding anharmonicity.J.Mater.Chem.C,2016,4(15):3281-3289.
[45]LIN S,LI W,LI S,et al.High thermoelectric performance of Ag9Ga Se6 enabled by low cutoff frequency of acoustic phonons.Joule,2017,1(4):816-830.
[46]NIELSEN M D,OZOLINS V,HEREMANS J P.Lone pair electrons minimize lattice thermal conductivity.Energy Environ.Sci.,2013,6(2):570-578.
[47]MA J,DELAIRE O,MAY A F,et al.Glass-like phonon scattering from a spontaneous nanostructure in AgSbTe2.Nat.Nano,2013,8(6):445-451.
[48]LI D,QIN X Y,ZOU T H,et al.High thermoelectric properties for Sn-doped AgSbSe2.Journal of Alloys and Compounds,2015,635:87-91.
[49]GUIN S N,CHATTERJEE A,NEGI D S,et al.High thermoelectric performance in tellurium free p-type AgSbSe2.Energy&Environmental Science,2013,6(9):2603-2608.
[50]GUIN S N,CHATTERJEE A,BISWAS K.Enhanced thermoelectric performance in p-type AgSbSe2 by Cd-doping.RSC Advances,2014,4(23):11811-11815.
[51]CAI S,LIU Z,SUN J,et al.Enhancement of thermoelectric properties by Na doping in Te-free p-type AgSbSe2.Dalton Trans,2015,44(3):1046-1051.
[52]PAN L,BERARDAN D,DRAGOE N.High thermoelectric properties of n-type AgBiSe2.J.Am.Chem.Soc.,2013,135(13):4914-4917.
[53]ZOU M,LIU Q,WU C F,et al.Comparing the role of annealing on the transport properties of polymorphous AgBiSe2 and monophase AgSbSe2.RSC Advances,2018,8(13):7055-7061.
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