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Computational and experimental analysis on Te-Doped ZnSb thermoelectric material

Pothin, R. and Ayral, R.-M. and Berche, A. and Ziolkowski, Pawel and Oppitz, Gregor and Jund, P. (2018) Computational and experimental analysis on Te-Doped ZnSb thermoelectric material. Materials Research Bulletin. Elsevier. DOI: 10.1016/j.materresbull.2017.12.025 ISSN 0025-5408

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Abstract

We report a combined theoretical and experimental work on the tellurium doping of thermoelectric ZnSb. We investigated the influence of tellurium on the phase’s stabilities by DFT calculations. During experimental validation by SEM and EPMA characterization “needlelike” areas of Te-doped ZnSb were identified. The experimental results also highlight that for the compositions Zn0.5 Sb0.5-x Tex the system reaches a non-equilibrium state where ZnSb, ZnTe and Te-doped ZnSb are simultaneously present. The determination of the doping mechanism has demonstrated the formation of Te-doped Zn4Sb3 after quenching, leading to the formation of Te-doped ZnSb due to the zinc diffusion during annealing. Presumed from experimental observation oxygen prevents the tellurium diffusion. These results lead to the conclusion of an inert processing chain as a prerequisite for production of n-type ZnSb, which puts hurdles on a cheap and easily scalable tellurium doping for homogeneous and competitive products.

Item URL in elib:https://elib.dlr.de/122806/
Document Type:Article
Title:Computational and experimental analysis on Te-Doped ZnSb thermoelectric material
Authors:
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Pothin, R.ICGM-University Montpellier, UMR-CNRS 5253, Pl. E. Bataillon CC1506, 34095, Montpellier, FranceUNSPECIFIED
Ayral, R.-M.ICGM-University Montpellier, UMR-CNRS 5253, Pl. E. Bataillon CC1506, 34095, Montpellier, FranceUNSPECIFIED
Berche, A.ICGM-University Montpellier, UMR-CNRS 5253, Pl. E. Bataillon CC1506, 34095, Montpellier, FranceUNSPECIFIED
Ziolkowski, PawelGerman Aerospace Center, Institute of Materials Research, Köln, GermanyUNSPECIFIED
Oppitz, GregorGerman Aerospace Center, Institute of Materials Research, Köln, GermanyUNSPECIFIED
Jund, P.ICGM-University Montpellier, UMR-CNRS 5253, Pl. E. Bataillon CC1506, 34095, Montpellier, FranceUNSPECIFIED
Date:May 2018
Journal or Publication Title:Materials Research Bulletin
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In SCOPUS:Yes
In ISI Web of Science:Yes
DOI :10.1016/j.materresbull.2017.12.025
Publisher:Elsevier
ISSN:0025-5408
Status:Published
Keywords:DFT calculations, Oxygen impurity, Tellurium doping, Thermoelectricity, Microstructural characterization, Transient potential-seebeck microprobe, Scanning
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Aeronautics
HGF - Program Themes:propulsion systems
DLR - Research area:Aeronautics
DLR - Program:L ER - Engine Research
DLR - Research theme (Project):L - Turbine Technologies
Location: Köln-Porz
Institutes and Institutions:Institute of Materials Research > Thermoelectric Materials and Systems
Deposited By: Yasseri, Mohammad
Deposited On:13 Nov 2018 08:36
Last Modified:06 Sep 2019 15:30

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