In this study, we will investigate selected Sn- and Sb-based Zintl phases that have not yet been fully studied for thermoelectric applications. We will employ a 3-tiered selection process: Using chemical intuition as a foundation, we will select crystal structures with potential for both intrinsically low lattice thermal conductivity, and good electronic transport. To guide us in narrowing this pool of candidates, electronic structure calculations will be used to estimate the band degeneracy, band mass, and band gap. Finally, the most promising materials will be studied experimentally; if the properties predicted by both chemistry and electronic structure calculations are confirmed, thermoelectric optimization will be pursued through doping.
|Effective start/end date||9/24/15 → 3/31/21|
- California Institute of Technology, Jet Propulsion Laboratory (1536068-006//NNN12AA01C)
- National Aeronautics and Space Administration (1536068-006//NNN12AA01C)