期刊
INORGANIC CHEMISTRY
卷 47, 期 18, 页码 8204-8212出版社
AMER CHEMICAL SOC
DOI: 10.1021/ic800772m
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资金
- National Science Foundation [DMR-0600742]
- Tyco Electronics Foundation Fellowship
- NASA
- Alexander von Humboldt foundation
Single crystals of boron-doped Ba(8)Al(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 (21)Al, (11)B, and (29)Si solid-state NMR. The samples' compositions of Ba(8)B(0.17)Al(14)Si(31), Ba(8)B(0.19)Al(15)Si(31), and Ba(8)B(0.32)Al(14)Si(31) were consistent with the framework-deficient clathrate I structure Ba8Al(x)Si(42-3/4x)square(4-1/4x) (X = 14, square = 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(8)Al(14)Si(31) prepared in the same manner.
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