Synthesis, structure, and high-temperature thermoelectric properties of boron-doped Ba8Al14Si31 clathrate I phases

Inorganic Chemistry
Cathie L CondronPeter Jeglic

Abstract

Single crystals of boron-doped Ba8Al14Si31 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 Ba8B0.17Al14Si31, Ba8B0.19Al15Si31, and Ba8B0.32Al14Si31 were consistent with the framework-deficient clathrate I structure Ba8Al(x)Si(42-3/4x)cube(4-1/4x) (x = 14, cube = 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 Ba8Al14Si31 prepared in the same manner.

References

Jan 8, 1999·Journal of Magnetic Resonance·J HaaseC P Slichter
Nov 7, 2006·Inorganic Chemistry·Cathie L CondronSusan M Kauzlarich
Aug 3, 2007·Angewandte Chemie·Walter JungYuri Grin

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Citations

Jun 19, 2015·Dalton Transactions : an International Journal of Inorganic Chemistry·Matej BobnarYuri Grin
Mar 9, 2011·Dalton Transactions : an International Journal of Inorganic Chemistry·Motoharu ImaiHiroyuki Tajima
Aug 5, 2017·Materials·Susan M KauzlarichChristopher J Perez
Jan 5, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Walter JungMichael Baitinger

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