Thermoelectric performance enhancement of SrTiO3 by Pr doping

M. Upadhyay Kahaly; Udo Schwingenschlögl

doi:10.1039/c3ta13947f

Thermoelectric performance enhancement of SrTiO3 by Pr doping

M. Upadhyay Kahaly, Udo Schwingenschlögl

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22 Scopus citations

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. © 2014 the Partner Organisations.

Original language	English (US)
Pages (from-to)	10379
Journal	Journal of Materials Chemistry A
Volume	2
Issue number	27
DOIs	https://doi.org/10.1039/c3ta13947f
State	Published - 2014

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KAUST Repository Item: Exported on 2020-10-01

ASJC Scopus subject areas

Renewable Energy, Sustainability and the Environment
General Materials Science
General Chemistry

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1039/c3ta13947f

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AB - 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.

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Thermoelectric performance enhancement of SrTiO3 by Pr doping

Abstract

Bibliographical note

ASJC Scopus subject areas

UN SDGs

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