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Structural and thermoelectric properties of Pb4In2.6Bi3.4Se13
Powder Diffraction ( IF 0.3 ) Pub Date : 2021-07-02 , DOI: 10.1017/s0885715621000385
W. Wong-Ng 1 , J. Guo 2 , Y. Yan 2 , J. A. Kaduk 3
Affiliation  

Quaternary selenide, Pb4In2.6Bi3.4Se13 (x = 2.4 member of the Pb4(InxBi6-xSe13 solid solution), was synthesized by a solid-state technique, and its structure was determined using powder X-ray diffraction (XRD). Pb4In2.6Bi3.4Se13 crystallizes in the orthorhombic space group Pbam (No. 55) with Z = 4. Lattice parameters and calculated density were determined to be a = 22.152(5) Å, b = 27.454(5) Å, and c = 4.1354(6) Å, V = 2515.0(11) Å3, and Dx = 7.490 g cm3. The structure consists of Z-shaped ribbon units and corner-shared infinite one-dimensional [InSe4] chains running parallel to the c-axis. The chains and ribbons are further connected by Pb atoms to form a three-dimensional network. Pb atoms are situated in the center of bicapped trigonal prisms. The compound exhibits a semiconductor feature. The Seebeck coefficient of Pb4In2.6Bi3.4Se13 was found to be −180 μV K−1 at 295 K and −380 μV K−1 at 600 K. Combining the values of Seebeck coefficient, electrical conductivity, and thermal conductivity yield a figure of merit, ZT, of about 0.175 at 700 K. The powder XRD pattern of Pb4In2.6Bi3.4Se13 was also determined.

中文翻译:

Pb4In2.6Bi3.4Se13的结构和热电性能

季硒化物,Pb42.63.413(X= 2.4 Pb 成员4(在X6-X13固溶体),通过固态技术合成,并使用粉末X射线衍射(XRD)确定其结构。铅42.63.413在正交空间群中结晶(第 55 号)与Z= 4. 晶格参数和计算密度确定为一种= 22.152(5) 埃,b= 27.454(5) Å,和C= 4.1354(6) 埃,= 2515.0(11) Å3, 和DX=7.490 克厘米-3. 结构包括Z形带状单元和角共享无限一维 [InSe4]平行运行的链条C-轴。链和带通过铅原子进一步连接形成三维网络。铅原子位于三棱柱的中心。该化合物表现出半导体特征。铅的塞贝克系数42.63.413被发现为 -180 μV K-1在 295 K 和 -380 μV K-1在 600 K。结合塞贝克系数、电导率和热导率的值产生一个品质因数,中通, 在 700 K 时约为 0.175。 Pb 的粉末 XRD 图42.63.413也确定了。
更新日期:2021-07-02
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