Thermoelectric performance enhancement of SrTiO3 by Pr doping

M. Upadhyay Kahaly, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

21 Scopus citations


We investigate Pr doping at the Sr site as a possible route to enhance the thermoelectric behavior of SrTiO3-based materials, using first principles calculations in full-potential density functional theory. The effects of the Pr dopant on the local electronic structure and resulting transport properties are compared to common Nb doping. We demonstrate a substantial enhancement of the thermoelectric figure of merit and develop an explanation for the positive effects, which opens new ways for materials optimization by substitutional doping at the perovskite B site. © 2014 the Partner Organisations.
Original languageEnglish (US)
Pages (from-to)10379
JournalJournal of Materials Chemistry A
Issue number27
StatePublished - 2014

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01

ASJC Scopus subject areas

  • Renewable Energy, Sustainability and the Environment
  • Materials Science(all)
  • Chemistry(all)


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