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Enhanced thermoelectric performance of layered SnS crystals: the synergetic effect of temperature and carrier concentration

机译:增强层状Sns晶体的热电性能:温度和载体浓度的协同作用

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摘要

We present a detailed theoretical study of the SnS compound, which has not been investigated in depth to date, concerning its crystal structure, electronic structure and thermoelectric property. The results of this study show that pure SnS is not a good thermoelectric material but that its ZT can be increased by adjusting both the temperature and carrier concentration. Further, the optimal temperatures and carrier concentrations for producing the peak ZT are identified. The peak ZT is always below unity in the low-temperature Pnma phase; conversely, when the crystal undergoes a displacive phase transition at 878 K, the peak ZT is enhanced to 1.61 +/- 0.02 at 1080 K. Additionally, the average ZT in the Cmcm phase (e.g., approximately 1.3) is significantly higher than that in the Pnma phase (e.g., 0.31 +/- 0.05). Therefore, the optimally doped SnS material may be highly efficient in its thermal-to-electrical energy conversion at high temperatures. We attribute the remarkable high ZT of doped SnS to the high sensitivity of the electrical conductivity to the carrier concentration. The results of this study describe a simple and viable strategy to optimize the ZT value of the SnS compound using the synergetic tuning of temperature and carrier concentration.
机译:我们介绍了SNS化合物的详细理论研究,该化合物迄今尚未深入研究,尚未对其晶体结构,电子结构和热电性进行了研究。该研究的结果表明,纯SNS不是良好的热电材料,而是通过调节温度和载体浓度可以增加其ZT。此外,鉴定了用于制备峰ZT的最佳温度和载体浓度。峰ZT总是低于低温PNMA相的统一;相反,当晶体在878k处经过位移相转变时,峰ZT在1080K处增强至1.61 +/- 0.02。另外,CMCM相的平均ZT(例如,约1.3)显着高于其PNMA相(例如,0.31 +/- 0.05)。因此,最佳掺杂的SNS材料可以在高温下的热到电能转换中高效。我们将掺杂Sn的显着高Zt归因于对载体浓度的电导率的高灵敏度。该研究的结果描述了一种简单且可行的策略,可以使用温度和载体浓度的协同调整来优化SNS化合物的ZT值。

著录项

  • 来源
    《RSC Advances》 |2015年第69期|共9页
  • 作者单位

    Chinese Acad Sci Fujian Inst Res Struct Matter State Key Lab Struct Chem Fuzhou 350002 Peoples R China;

    Chinese Acad Sci Fujian Inst Res Struct Matter State Key Lab Struct Chem Fuzhou 350002 Peoples R China;

    Chinese Acad Sci Fujian Inst Res Struct Matter State Key Lab Struct Chem Fuzhou 350002 Peoples R China;

    Chinese Acad Sci Fujian Inst Res Struct Matter State Key Lab Struct Chem Fuzhou 350002 Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 化学;
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