Research Objectives Within this four-year program, the objective is to advance the materials discovery paradigm as applied to thermoelectric materials. Achieving this will require: 1. Development of a set of quantitative design principles for semiconductor dopability that uses inexpensive calculations, structural/chemical descriptors, and a reliable learning set. 2. Accurate characterization of native defects, dopants, and their charge state to help develop,assess and continuously rene the model. This step must include both state-of-the-art defect calculations and careful experimental studies. 3. Validation of the improved search paradigm by realizing high zT via computational insight into both intrinsic (electronic/phonon transport) properties and dopability.
|Effective start/end date||10/1/17 → 9/30/23|
- National Science Foundation (DMR-1729487-001)
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