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N-Type Oxide Thermoelectrics Via Visual Search Strategies

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 نشر من قبل David Singh
 تاريخ النشر 2016
  مجال البحث فيزياء
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We discuss and present search strategies for finding new thermoelectric compositions based on first principles electronic structure and transport calculations. We illustrate them by application to a search for potential n-type oxide thermoelectric materials. This includes a screen based on visualization of electronic energy isosurfaces. We report compounds that show potential as thermoelectric materials along with detailed properties, including SrTiO3, which is a known thermoelectric, and appropriately doped KNbO3 and rutile TiO2.



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