TEflow 0.4.5

A python3 package for thermoelectric output performance calculations

TEflow

A python3 package for streamlining thermoelectric workflow from materials to devices

Features

• Model carrier transport
  • Single parabolic band (SPB) model
  • Single Kane band (SKB) model
  • Multiple bands model
  • Customized band model
• Debye model of lattice thermal conductivity
  • Calculations & Fitting
  • Scattering Mechanisms, e.g., three-phonon, point defects, etc.
  • Bipolar thermal conductivity
• Engineering performance of thermoelectric generator[^1]
  • Engineering dimensionless figure of merit (ZT_eng) and power factor (PF_eng)
  • Maximum Efficiency (η_max) and ouput power density (P_d)
  • R_L- (external electric load resistance) or I- (electric current density) dependent properties, e.g. output voltage (V), heat flux (Q_hot)
• Device ZT of thermoelectric generator[^2]
  • Maximum thermoelectric device efficiency
  • Optimized relative current density $u$
  • Thermoelectric potential $\Phi$
• Thermoelectric data manipulation
  • Thermoelectric data interpolation and extrapolation
  • Cut-off thermoelectric data at the threshold temperature
  • Join and rearrange parallel data files
  • Mix parallel data files with linear combination

References

[^1]: Kim, H. S., Liu, W., Chen, G., Chu, C. W., & Ren, Z. (2015). Relationship between thermoelectric figure of merit and energy conversion efficiency. Proceedings of the National Academy of Sciences, 112(27), 8205-8210. DOI: 10.1073/pnas.1510231112

[^2]: Snyder, G. J., & Snyder, A. H. (2017). Figure of merit ZT of a thermoelectric device defined from materials properties. Energy & Environmental Science, 10(11), 2280-2283. DOI: 10.1039/C7EE02007D