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Enhanced Thermoelectric Properties of Cu2SnSe3 by (Ag,In)‐Co‐Doping
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2016-06-21 , DOI: 10.1002/adfm.201601486
Yuyang Li 1, 2 , Guanghua Liu 1 , Tengfei Cao 3 , LiMin Liu 3 , Jiangtao Li 1 , Kexin Chen 4 , Laifeng Li 1 , Yemao Han 1 , Min Zhou 1
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2016-06-21 , DOI: 10.1002/adfm.201601486
Yuyang Li 1, 2 , Guanghua Liu 1 , Tengfei Cao 3 , LiMin Liu 3 , Jiangtao Li 1 , Kexin Chen 4 , Laifeng Li 1 , Yemao Han 1 , Min Zhou 1
Affiliation
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Dense bulk samples of (Ag,In)‐co‐doped Cu2SnSe3 have been prepared by a fast and one‐step method of combustion synthesis, and their thermoelectric properties have been investigated from 323 to 823 K. The experimental results show that Ag‐doping at Cu site remarkably enhances the Seebeck coefficient, reduces both electrical and thermal conductivities, and finally increases the figure of merit (ZT) value. The ZT of the Cu1.85Ag0.15SnSe3 sample reaches 0.80 at 773 K, which is improved by about 70% compared with the unadulterated sample (ZT = 0.46 at 773 K). First principle calculation indicates that Ag‐doping changes the electronic structure of Cu2SnSe3 and results in larger effective mass of carriers, thus enhancing the Seebeck coefficient and reducing the electrical conductivity. The low electrical conductivity caused by Ag‐doping can be repaired by accompanying In‐doping at Sn site, and by (Ag,In)‐co‐doping the thermoelectric properties are further promoted. The (Ag,In)‐co‐doped sample of Cu1.85Ag0.15Sn0.9In0.1Se3 shows the maximum ZT of 1.42 at 823 K, which is likely the best result for Cu2SnSe3‐based materials up to now. This work indicates that co‐doping may provide an effective solution to optimize the conflicting material properties for increasing ZT.
中文翻译：
（Ag，In）-Co掺杂增强了Cu2SnSe3的热电性能
通过快速一步燃烧合成方法制备了（Ag，In）掺杂的Cu 2 SnSe 3致密块状样品，并在323至823 K范围内研究了它们的热电性能。实验结果表明：在Cu部位掺杂Ag可以显着提高塞贝克系数，同时降低电导率和热导率，并最终提高品质因数（ZT）值。Cu 1.85 Ag 0.15 SnSe 3样品的ZT在773 K时达到0.80，与未掺杂的样品（773 K时ZT = 0.46）相比，提高了约70％。第一性原理计算表明，Ag掺杂会改变Cu 2 SnSe 3的电子结构并导致更大的有效载流子质量，从而提高塞贝克系数并降低电导率。可以通过在Sn位点进行In-doping来修复由Ag掺杂引起的低电导率，并且通过（Ag，In）-co-doping可以进一步提高热电性能。（Ag，In）掺杂的Cu 1.85 Ag 0.15 Sn 0.9 In 0.1 Se 3样品在823 K时显示最大ZT为1.42，这可能是迄今为止基于Cu 2 SnSe 3的材料的最佳结果。这项工作表明，共掺杂可能会提供一种有效的解决方案，以优化冲突的材料特性以增加ZT。
更新日期：2016-06-21
中文翻译：
（Ag，In）-Co掺杂增强了Cu2SnSe3的热电性能
通过快速一步燃烧合成方法制备了（Ag，In）掺杂的Cu 2 SnSe 3致密块状样品，并在323至823 K范围内研究了它们的热电性能。实验结果表明：在Cu部位掺杂Ag可以显着提高塞贝克系数，同时降低电导率和热导率，并最终提高品质因数（ZT）值。Cu 1.85 Ag 0.15 SnSe 3样品的ZT在773 K时达到0.80，与未掺杂的样品（773 K时ZT = 0.46）相比，提高了约70％。第一性原理计算表明，Ag掺杂会改变Cu 2 SnSe 3的电子结构并导致更大的有效载流子质量，从而提高塞贝克系数并降低电导率。可以通过在Sn位点进行In-doping来修复由Ag掺杂引起的低电导率，并且通过（Ag，In）-co-doping可以进一步提高热电性能。（Ag，In）掺杂的Cu 1.85 Ag 0.15 Sn 0.9 In 0.1 Se 3样品在823 K时显示最大ZT为1.42，这可能是迄今为止基于Cu 2 SnSe 3的材料的最佳结果。这项工作表明，共掺杂可能会提供一种有效的解决方案，以优化冲突的材料特性以增加ZT。
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