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Issue 27, 2014

Thermoelectric performance enhancement of SrTiO3 by Pr doping

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Abstract

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.

Graphical abstract: Thermoelectric performance enhancement of SrTiO3 by Pr doping

Article information


Submitted
30 Sep 2013
Accepted
22 Apr 2014
First published
04 Jun 2014

J. Mater. Chem. A, 2014,2, 10379-10383
Article type
Communication

Thermoelectric performance enhancement of SrTiO3 by Pr doping

M. Upadhyay Kahaly and U. Schwingenschlögl, J. Mater. Chem. A, 2014, 2, 10379 DOI: 10.1039/C3TA13947F

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