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High thermoelectric performance of oxyselenides: intrinsically low thermal conductivity of Ca-doped BiCuSeO

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成果类型:
期刊论文
作者:
Pei, Yan-Ling;He, Jiaqing;Li, Jing-Feng;Li, Fu;Liu, Qijun;Pan, Wei;Barreteau, Celine;Berardan, David;Dragoe, Nita;Zhao, Li-Dong*
通讯作者:
Zhao, Li-Dong
作者机构:
[Pei, Yan-Ling] Beihang Univ, Sch Mat Sci & Engn, Beijing, Peoples R China.
[He, Jiaqing] Xi An Jiao Tong Univ, FIST, Xian 710049, Peoples R China.
[Pan, Wei; Li, Jing-Feng; Li, Fu] Tsinghua Univ, State Key Lab New Ceram & Fine Proc, Sch Mat Sci & Engn, Beijing 100084, Peoples R China.
[Liu, Qijun] Southwest Jiaotong Univ, Sch Phys Sci & Technol, Inst High Temp & High Pressure Phys, Chengdu, Sichuan, Peoples R China.
[Liu, Qijun] Northwestern Polytech Univ, Sch Mat Sci & Engn, State Key Lab Solidificat Proc, Xian, Peoples R China.
通讯机构:
[Zhao, Li-Dong] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
语种:
英文
关键词:
BiCuSeO;electrical conductivity;Seebeck coefficient;thermal conductivity;thermoelectric
期刊:
NPG Asia Materials
ISSN:
1884-4049
年:
2013
卷:
5
期:
5
页码:
e47-
文献类别:
WOS:Article
所属学科:
ESI学科类别:材料科学;WOS学科类别:Materials Science, Multidisciplinary
入藏号:
基金类别:
National Natural Science Foundation of China [51202008]; 973 program of China [2013CB632503]; Xi'an Jiaotong University; NSF-NSEC; NSF-MRSEC; Keck Foundation; State of Illinois; Northwestern University
机构署名:
本校为其他机构
院系归属:
物理科学与技术学院
摘要:
We report on the high thermoelectric performance of p-type polycrystalline BiCuSeO, a layered oxyselenide composed of alternating conductive (Cu2Se2)(2-) and insulating (Bi2O2)(2+) layers. The electrical transport properties of BiCuSeO materials can be significantly improved by substituting Bi3+ with Ca2+. The resulting materials exhibit a large positive Seebeck coefficient of similar to+330 mu VK-1 at 300 K, which may be due to the 'natural superlattice' layered structure and the moderate effective mass suggested by both electronic density of states and carrier concentration calculations. After doping with Ca, enhanced electrical conductivity coupled with a moderate Seebeck coefficient leads to a power factor of similar to 4.74 mu Wcm(-1)K(-2) at 923K. Moreover, BiCuSeO shows very low thermal conductivity in the temperature range of 300 (similar to 0.9 Wm(-1)K(-1)) to 923K (similar to 0.45 Wm(-1)K(-1)). Such low thermal conductivity values are most likely a result of the weak chemical bonds (Young's modulus, E similar to 76.5GPa) and the strong anharmonicity of the bonding arrangement (Gruneisen parameter, gamma similar to 1.5). In addition to increasing the power factor, Ca doping reduces the thermal conductivity of the lattice, as confirmed by both experimental results and Callaway model calculations. The combination of optimized power factor and intrinsically low thermal conductivity results in a high ZT of similar to 0.9 at 923K for Bi0.925Ca0.075CuSeO.
参考文献:
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Barreteau, C., Berardan, D., Amzallag, E., Zhao, L. D. & Dragoe, N. Structural and electronic transport properties in Sr-doped BiCuSeO. Chem. Mater. 24, 3168–3178 (2012).
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