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Nanostructured Co<sub>1-x</sub>Ni<sub>x</sub>(Sb<sub>1-y</sub>Te<sub>y</sub>)<sub>3</sub> Skutterudites: Theoretical Modelling, Synthesis and Thermoelectric Properties

Stiewe, Christian and Bertini, Luca and Toprak, Muhammed and Platzek, Dieter and Williams, Simon and Gatti, Carlo and Müller, Eckhard and Muhammed, Mamoun and Rowe, Michael (2005) Nanostructured Co<sub>1-x</sub>Ni<sub>x</sub>(Sb<sub>1-y</sub>Te<sub>y</sub>)<sub>3</sub> Skutterudites: Theoretical Modelling, Synthesis and Thermoelectric Properties. Journal of Applied Physics, 97 (4), 044317-1-044317-7. American Institute of Physics. doi: 10.1063/1.1852072. ISSN 0021-8979.

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Official URL: http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JAPIAU000097000004044317000001&idtype=cvips


The properties of Te-doped Co(Sb<sub>1-y</sub>Te<sub>y</sub>)<sub>3</sub> and Te-Ni double-doped Co<sub>1-x</sub>Ni<sub>x</sub>(Sb<sub>1-y</sub>Te<sub>y</sub>)<sub>3</sub> nanostructured skutterudites were evaluated by means of x-ray powder diffraction, and transport properties measured on the synthesized samples have been compared with ab initio theoretical modeling. Theoretical optimal dopant contents have been evaluated according to the maximum value of the power factor, calculating the electronic transport properties from the ab initio material band structure using semiclassical Boltzmann transport theory. The samples have been synthesized by chemical alloying with Te substitution for Sb up to 2.5 at.% and Ni substitution for Co up to 2.0 at.%. X-ray powder diffraction has been performed on all samples to reveal information about phase purity and Rietveld refinement was performed for the phase composition and cell parameter. The thermoelectric properties of the resulting consolidates were investigated in a temperature range from 300 to 723 K using various measurement facilities. A standardization and round robin program was started among the participating evaluation laboratories in order to ensure reliability of the data obtained. The significant reduction in thermal conductivity, when compared to highly annealed CoSb<sub>3</sub>, could be proved which is caused by the nanostructuring, resulting in a high concentration of grain boundaries. A combination of substitution levels for Ni and Te has been found resulting in the largest ZT value of 0.65 at 680 K among unfilled skutterudite materials.

Item URL in elib:https://elib.dlr.de/21435/
Document Type:Article
Title:Nanostructured Co<sub>1-x</sub>Ni<sub>x</sub>(Sb<sub>1-y</sub>Te<sub>y</sub>)<sub>3</sub> Skutterudites: Theoretical Modelling, Synthesis and Thermoelectric Properties
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Bertini, LucaCNR MilanoUNSPECIFIED
Toprak, MuhammedKTH StockholmUNSPECIFIED
Williams, SimonUniv. CardiffUNSPECIFIED
Muhammed, MamounKTH StockholmUNSPECIFIED
Rowe, MichaelUniv. CardiffUNSPECIFIED
Date:28 January 2005
Journal or Publication Title:Journal of Applied Physics
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In ISI Web of Science:Yes
DOI :10.1063/1.1852072
Page Range:044317-1-044317-7
Publisher: American Institute of Physics
Keywords:thermoelectric materials, Skutterudites, doping, thermoelectric properties, Seebeck coefficient, electrical conductivity, thermal conductivity
HGF - Research field:Aeronautics, Space and Transport (old)
HGF - Program:Aeronautics
HGF - Program Themes:Propulsion Systems (old)
DLR - Research area:Aeronautics
DLR - Program:L ER - Engine Research
DLR - Research theme (Project):L - Virtual Engine and Validation Methods (old)
Location: Köln-Porz
Institutes and Institutions:Institute of Materials Research > Structural and Functional Ceramics
Deposited By: Müller, Dr.phys. Wolf Eckhard
Deposited On:04 Sep 2007
Last Modified:27 Apr 2009 04:55

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