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Unraveling Self-Doping Effects in Thermoelectric TiNiSn Half-Heusler Compounds by Combined Theory and High-Throughput Experiments

Wambach, Matthias and Stern, Robin and Bhattacharya, Sandip and Ziolkowski, Pawel and Müller, Eckhard and Madsen, Georg K.H. and Ludwig, Alfred (2016) Unraveling Self-Doping Effects in Thermoelectric TiNiSn Half-Heusler Compounds by Combined Theory and High-Throughput Experiments. Advanced Electronic Materials, 2 (2), p. 1500208. Wiley. DOI: 10.1002/aelm.201500208 ISSN 2199-160X

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Official URL: http://dx.doi.org/10.1002/aelm.201500208

Abstract

The control of the carrier concentration is a key topic in the optimization of the thermoelectric power factor. It depends intricately on the defect chemistry of a host phase (here: TiNiSn) and the boundary conditions set by competing phases. The large impact of a slight off-stoichiometry in the intermetallic half-Heusler phase TiNiSn makes combinatorial techniques ideally suited for systematic optimization of its thermoelectric performance. In this work, computational thermochemistry, combinatorial synthesis, and high-throughput characterization are combined to obtain a complete map of the thermoelectric power factor for the Ti–Ni–Sn system. The role of the chemical potential of the constituents in determining the detailed nonstoichiometric composition of the intermetallic half-Heusler phase TiNiSn is elucidated. This work not only confirms the assumption of a large phase-width in terms of Ni surplus but also demonstrates that TiNiSn phases with a relatively large Ti surplus can be produced. This can serve as a new route for achieving high carrier concentrations by self-doping in the ternary system Ti–Ni–Sn. The defect thermochemistry calculations for the carrier concentration are in excellent agreement with the experimental results. The findings of this work suggest new ways of improving the thermoelectric performance of half-Heusler phases such as TiNiSn.

Item URL in elib:https://elib.dlr.de/108657/
Document Type:Article
Title:Unraveling Self-Doping Effects in Thermoelectric TiNiSn Half-Heusler Compounds by Combined Theory and High-Throughput Experiments
Authors:
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Wambach, MatthiasChair of MEMS Materials, Institute for Materials, Ruhr-University Bochum, Universitaetsstrasse 150, D-44801 Bochum, GermanyUNSPECIFIED
Stern, RobinCMAT, ICAMS, Ruhr-University Bochum, Universitaetsstrasse 150, D-44801 Bochum, GermanyUNSPECIFIED
Bhattacharya, SandipCMAT, ICAMS, Ruhr-University Bochum, Universitaetsstrasse 150, D-44801 Bochum, GermanyUNSPECIFIED
Ziolkowski, PawelGerman aerospace center, Institute of materials research, Köln, GermanyUNSPECIFIED
Müller, EckhardGerman aerospace center, Institute of materials research, Köln, Germany and Justus Liebig university Giessen, Institute of inorganic and analytical chemistry, 35392 Giessen, GermanyUNSPECIFIED
Madsen, Georg K.H.CMAT, ICAMS, Ruhr-University Bochum, Universitaetsstrasse 150, D-44801 Bochum, GermanyUNSPECIFIED
Ludwig, AlfredChair of MEMS Materials, Institute for Materials, Ruhr-University Bochum, Universitaetsstrasse 150, D-44801 Bochum, GermanyUNSPECIFIED
Date:February 2016
Journal or Publication Title:Advanced Electronic Materials
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In SCOPUS:Yes
In ISI Web of Science:Yes
Volume:2
DOI :10.1002/aelm.201500208
Page Range:p. 1500208
Publisher:Wiley
ISSN:2199-160X
Status:Published
Keywords:Combinatorial materials science, Half-Heusler compound, High-throughput characterization, Thermoelectrics
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Transport
HGF - Program Themes:Terrestrial Vehicles (old)
DLR - Research area:Transport
DLR - Program:V BF - Bodengebundene Fahrzeuge
DLR - Research theme (Project):V - NGC-Antriebsstrang (old)
Location: Köln-Porz
Institutes and Institutions:Institute of Materials Research > Thermoelectric Materials and Systems
Deposited By: Yasseri, Mohammad
Deposited On:16 Feb 2017 07:18
Last Modified:08 Mar 2018 18:40

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