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

Cathie L. Condron; Susan M. Kauzlarich; Teruyuki Ikeda; G. Jeffrey Snyder; Frank Haarmann; Peter Jeglič

doi:10.1021/ic800772m

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

Cathie L. Condron, Susan M. Kauzlarich, Teruyuki Ikeda, G. Jeffrey Snyder, Frank Haarmann, Peter Jeglič

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

47 Scopus citations

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 ²⁷Al, ¹¹B, and ²⁹Si solid-state NMR. The samples' compositions of Ba₈B_0.17Al₁₄Si₃₁, Ba ₈B_0.19Al₁₅Si₃₁, and Ba ₈B_0.32Al₁₄Si₃₁ were consistent with the framework-deficient clathrate I structure Ba₈Al _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 Ba₈Al ₁₄Si₃₁ prepared in the same manner.

Original language	English (US)
Pages (from-to)	8204-8212
Number of pages	9
Journal	Inorganic chemistry
Volume	47
Issue number	18
DOIs	https://doi.org/10.1021/ic800772m
State	Published - Sep 15 2008

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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@article{f26dd79d716943c9bd9432b17cdd4963,

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

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 27Al, 11B, and 29Si solid-state NMR. The samples' compositions of Ba8B0.17Al14Si31, Ba 8B0.19Al15Si31, and Ba 8B0.32Al14Si31 were consistent with the framework-deficient clathrate I structure Ba8Al xSi42-3/4x□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 Ba8Al 14Si31 prepared in the same manner.",

author = "Condron, {Cathie L.} and Kauzlarich, {Susan M.} and Teruyuki Ikeda and Snyder, {G. Jeffrey} and Frank Haarmann and Peter Jegli{\v c}",

year = "2008",

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day = "15",

doi = "10.1021/ic800772m",

language = "English (US)",

volume = "47",

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T1 - Synthesis, structure, and high-temperature thermoelectric properties of boron-doped Ba8Al14Si31 clathrate I phases

AU - Condron, Cathie L.

AU - Kauzlarich, Susan M.

AU - Ikeda, Teruyuki

AU - Snyder, G. Jeffrey

AU - Haarmann, Frank

AU - Jeglič, Peter

PY - 2008/9/15

Y1 - 2008/9/15

N2 - 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 27Al, 11B, and 29Si solid-state NMR. The samples' compositions of Ba8B0.17Al14Si31, Ba 8B0.19Al15Si31, and Ba 8B0.32Al14Si31 were consistent with the framework-deficient clathrate I structure Ba8Al xSi42-3/4x□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 Ba8Al 14Si31 prepared in the same manner.

AB - 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 27Al, 11B, and 29Si solid-state NMR. The samples' compositions of Ba8B0.17Al14Si31, Ba 8B0.19Al15Si31, and Ba 8B0.32Al14Si31 were consistent with the framework-deficient clathrate I structure Ba8Al xSi42-3/4x□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 Ba8Al 14Si31 prepared in the same manner.

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JO - Inorganic chemistry

JF - Inorganic chemistry

IS - 18

ER -

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

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