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Synthesis, structure, and high-temperature thermoelectric properties of boron-doped Ba_8Al_(14)Si_(31) clathrate I phases

Condron, Cathie L. and Kauzlarich, Susan M. and Ikeda, Teruyuki and Snyder, G. Jeffrey and Haarmann, Frank and Jeglic, Peter (2008) Synthesis, structure, and high-temperature thermoelectric properties of boron-doped Ba_8Al_(14)Si_(31) clathrate I phases. Inorganic Chemistry, 47 (18). pp. 8204-8212. ISSN 0020-1669.

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Single crystals of boron-doped Ba_8Al_(14)Si_(31) clathrate I phase were prepared using Al flux growth. The structure and elemental composition of the samples were characterized by single-crystal and powder X-ray diffraction; elemental analysis; and multinuclear ^(27)Al, ^(11)B, and ^(29)Si solid-state NMR. The samples' compositions of Ba_8B_(0.17)Al_(14)Si_(31), Ba_8B_(0.19)Al_(15)Si_(31), and Ba_8B_(0.32)Al_(14)Si_(310) were consistent with the framework-deficient clathrate I structure Ba_8Al_xSi_(42-3/4x)□_(4-1/4x) (X = 14, □ = lattice defect). Solid-state NMR provides further evidence for boron doped into the framework structure. Temperature-dependent resistivity indicates metallic behavior, and the negative Seebeck coefficient indicates that transport processes are dominated by electrons. Thermal conductivity is low, but not significantly lower than that observed in the undoped Ba_8Al_(14)Si_(31) prepared in the same manner.

Item Type:Article
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URLURL TypeDescription
Ikeda, Teruyuki0000-0001-7076-6958
Snyder, G. Jeffrey0000-0003-1414-8682
Additional Information:© 2008 American Chemical Society. Publication Date (Web): August 19, 2008. The authors gratefully acknowledge Dr. Alexandra Navrotsky (Department of Chemistry and Thermochemistry Facility and NEAT ORU, University of California Davis) for use of the Scintag powder diffractometer. This work was supported by the National Science Foundation (Grant DMR-0600742). C.L.C. acknowledges a Tyco Electronics Foundation Fellowship in functional materials. Portions of this work were carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with NASA. P.J. acknowledges financial support by the Alexander von Humboldt foundation.
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Tyco Electronics Foundation FellowshipUNSPECIFIED
Alexander von Humboldt FoundationUNSPECIFIED
Issue or Number:18
Record Number:CaltechAUTHORS:CONic08
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:13471
Deposited By: Ruth Sustaita
Deposited On:27 May 2009 16:26
Last Modified:03 Oct 2019 00:38

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