Role of crystal transformation on the enhanced thermoelectric performance in Mn-doped Cu2SnS3

Role of crystal transformation on the enhanced thermoelectric performance in Mn-doped Cu2SnS3
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晶体转变对 Mn 掺杂 Cu2SnS3 热电性能增强的作用

DOI:
10.1016/j.jallcom.2018.11.329
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发表时间:
2019-04
影响因子:
6.2
通讯作者:
Lu Chunhua
Lu Chunhua
中科院分区:
材料科学2区
文献类型:
--
作者:
Zhang Zhen;Zhao Huiwen;Wang Yifeng;Hu Xiaohui;Lyu Yinong;Cheng Changchun;Pan Lin;Lu Chunhua

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Mohite-type Cu2SnS3exhibits a large degree of manipulation in both electronic and phonon transport properties by transition metal doping. In this work, the effects of Mn doping on the transport properties of Cu2SnS3were investigated. A crystal transition occurred upon doping from cation-ordered monoclinic structure to cation-disordered cubic and tetragonal structures. Such a crystal transition caused a significant increase of DOS effective mass of carriers,m*, which should be caused by the improved degeneracy of the bands at the Fermi level due to the improved symmetry, and also by the participation (in the upper valence bands) of unfilledd-orbitals of Mn cations that share crystallographically equivalent sites with Cu cations. Meanwhile the lattice thermal conductivity (∼0.4 W m−1K−1at ∼773 K) was suppressed effectively, which should also be linked to the disorder structure induced by Mn-doping. Benefitting from the increased carrier density and much improvedm*, a remarkable power factor of 0.92 mWm−1K−2has been obtained at 723 K. The highestZT∼0.68 at 723 K is almost 15 times increased as compared to that of pristine Cu2SnS3.
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