A review of recent progress in thermoelectric materials through computational methods

J. Julio Gutiérrez Moreno, Jiang Cao, Marco Fronzi, M. Hussein N. Assadi

研究成果: Review article査読

3 被引用数 (Scopus)

抄録

Reducing our overwhelming dependence on fossil fuels requires groundbreaking innovations in increasing our efficiency in energy consumption for current technologies and moving towards renewable energy sources. Thermoelectric materials can help in achieving both goals. Moreover, because of recent advances in high-performance computing, researchers more increasingly rely on computational methods in discovering new thermoelectric materials with economically feasible performance. In this article, significant thermoelectric materials discovered through these computational methods are systematically reviewed. Furthermore, the primary computational tools that aid the design of the next-generation thermoelectric materials are introduced and discussed. These techniques include various levels of density functional theory, electronic transport simulations, and phonon calculations.

本文言語English
論文番号16
ジャーナルMaterials for Renewable and Sustainable Energy
9
3
DOI
出版ステータスPublished - 2020 9 1
外部発表はい

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 再生可能エネルギー、持続可能性、環境
  • 燃料技術
  • 材料化学

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