Thermoelectric Materials (THM)

Thermoelectric Materials (THM)
Lead PIsMaria Chan & Giulia Galli
Atomistic structure of building blocks (BB)Known crystal structure
BB properties to validateThermal conductivity k, electronic conductivity σ, Seebeck coeff. S (+)
Methods & techniques to validate for BBTheoretical accuracy:
  • interatomic interactions (including type of DFT)
  • approximations chosen to describe specific property (e.g. BTE versus GK for k)
Numerical precision.
Structural properties of assembled BB blocksNano-inclusions in solids: structure not known
Strategy to determine structure of inclusions and material morphology to be defined
Properties of assembled BB to validateSame as (+) for solids w/inclusions
ExperimentalistMercouri Kanatzidis