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• 作者：Feridoon Azough ; Robert Freer ; Stephen R. Yeandel…
• 关键词：Oxide ceramic ; tungsten bronze ; titanate ; thermal conductivity ; thermoelectric ; molecular dynamics ; modelling
• 刊名：Journal of Electronic Materials
• 出版年：2016
• 出版时间：March 2016
• 年：2016
• 卷：45
• 期：3
• 页码：1894-1899
• 全文大小：2,484 KB
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Chemistry
  Optical and Electronic Materials
  Characterization and Evaluation Materials
  Electronics, Microelectronics and Instrumentation
  Solid State Physics and Spectroscopy
  
• 出版者：Springer Boston
• ISSN：1543-186X

文摘

Semiconducting Ba_6−3x Nd_8+2x Ti₁₈O₅₄ ceramics (with x = 0.00 to 0.85) were synthesized by the mixed oxide route followed by annealing in a reducing atmosphere; their high-temperature thermoelectric properties have been investigated. In conjunction with the experimental observations, atomistic simulations have been performed to investigate the anisotropic behavior of the lattice thermal conductivity. The ceramics show promising n-type thermoelectric properties with relatively high Seebeck coefficient, moderate electrical conductivity, and temperature-stable, low thermal conductivity; For example, the composition with x = 0.27 (i.e., Ba_5.19Nd_8.54Ti₁₈O₅₄) exhibited a Seebeck coefficient of S _1000K = 210 µV/K, electrical conductivity of σ _1000K = 60 S/cm, and thermal conductivity of k _1000K = 1.45 W/(m K), leading to a ZT value of 0.16 at 1000 K.