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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on As3Ir by Materials Project

IrAs3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ir3+ is bonded to six equivalent As1- atoms to form IrAs6 octahedra that share corners with six equivalent IrAs6 octahedra and corners with twelve equivalent AsAs2Ir2 tetrahedra. The corner-sharing octahedral tilt angles are 60°. All Ir–As bond lengths are 2.48 Å. As1- is bonded to two equivalent Ir3+ and two equivalent As1- atoms to form AsAs2Ir2 tetrahedra that share corners with four equivalent IrAs6 octahedra, corners with ten equivalent AsAs2Ir2 tetrahedra, and an edgeedge with one AsAs2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 69–70°. There are one shorter (2.51 Å) and one longer (2.62 Å) As–As bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As3Rh by Materials Project

RhAs3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Rh3+ is bonded to six equivalent As1- atoms to form RhAs6 octahedra that share corners with six equivalent RhAs6 octahedra and corners with twelve equivalent AsAs2Rh2 tetrahedra. The corner-sharing octahedral tilt angles are 59°. All Rh–As bond lengths are 2.47 Å. As1- is bonded to two equivalent Rh3+ and two equivalent As1- atoms to form distorted AsAs2Rh2 tetrahedra that share corners with four equivalent RhAs6 octahedra, corners with ten equivalent AsAs2Rh2 tetrahedra, and an edgeedge with one AsAs2Rh2 tetrahedra. The corner-sharing octahedra tilt angles range from 69–70°. There are one shorter (2.52 Å) and one longer (2.60 Å) As–As bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeSb3 by Materials Project

FeSb3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent Sb1- atoms to form corner-sharing FeSb6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Fe–Sb bond lengths are 2.55 Å. Sb1- is bonded in a distorted bent 120 degrees geometry to two equivalent Fe3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuO3 by Materials Project

LuO3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Lu is bonded to six equivalent O atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 67°. All Lu–O bond lengths are 2.23 Å. O is bonded in a distorted trigonal planar geometry to two equivalent Lu and one O atom. The O–O bond length is 1.48 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P3Pd by Materials Project

PdP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent P+0.67- atoms to form PdP6 octahedra that share corners with six equivalent PdP6 octahedra and corners with twelve equivalent PP2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 66°. All Pd–P bond lengths are 2.45 Å. P+0.67- is bonded to two equivalent Pd2+ and two equivalent P+0.67- atoms to form PP2Pd2 tetrahedra that share corners with four equivalent PdP6 octahedra, corners with ten equivalent PP2Pd2 tetrahedra, and an edgeedge with one PP2Pd2 tetrahedra. The corner-sharing octahedral tilt angles are 67°. There are one shorter (2.22 Å) and one longer (2.23 Å) P–P bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on IrN3 by Materials Project

IrN3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ir3+ is bonded to six equivalent N1- atoms to form corner-sharing IrN6 octahedra. The corner-sharing octahedral tilt angles are 68°. All Ir–N bond lengths are 2.07 Å. N1- is bonded in a distorted trigonal planar geometry to two equivalent Ir3+ and one N1- atom. The N–N bond length is 1.26 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiSb3 by Materials Project

NiSb3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent Sb+0.67- atoms to form corner-sharing NiSb6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Ni–Sb bond lengths are 2.59 Å. Sb+0.67- is bonded in a 2-coordinate geometry to two equivalent Ni2+ and two equivalent Sb+0.67- atoms. There are one shorter (2.95 Å) and one longer (3.00 Å) Sb–Sb bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaO3 by Materials Project

GaO3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ga is bonded to six equivalent O atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Ga–O bond lengths are 1.99 Å. O is bonded in a bent 120 degrees geometry to two equivalent Ga atoms.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Thermoelectric materials development

A systematic search for advanced thermoelectric materials was initiated at JPL several years ago to evaluate candidate materials which includes consideration of the following property attributes: (1) semiconducting properties; (2) large Seebeck coefficient; (3) high carrier mobility and high electrical conductivity; (4) low lattice thermal conductivity; and (5) chemical stability and low vapor pressure. Through this candidate screening process, JPL identified several families of materials as promising candidates for improved thermoelectric materials including the skutterudite family. As part of an ongoing effort to develop skutterudite materials with lower thermal conductivity values, several solid solutions and filled skutterudite materials were investigated under the effort sponsored by DOE. The efforts have primarily focused on: (1) study of existence and properties of solid solutions between the binary compounds CoSb3 and IrSb3, and RuSb2Te, and (2) CeFe(4-x)Sb12 based filled compositions. For the solid solutions, the lattice thermal conductivity reduction was expected to be reduced by the introduction of the Te and Ru atoms while in the case of CeFe(4-x)Ru(x)Sb12 based filled compositions. For the solid solutions, the lattice thermal conductivity reduction was expected to be reduced by the introduction of the Te and Ru atoms while in the case of CeFe(4-x)Ru(x)Sb12 filled compositions, the reduction would be caused by the rattling of Ce atoms located in the empty voids of the skutterudite structure and the substitution of Fe for Ru. The details of the sample preparation and characterization of their thermoelectric properties are reported in this report.

Fleurial, J. P.↗
NASA NTRS1996

Preparation and Thermoelectric Properties of the Skutterudite-Related Phase Ru(0.5)Pd(0.5)Sb3

A new skutterudite phase Ru(0.5)Pd(0.5)Sb3 was prepared. This new phase adds to a large number of already known materials with the skutterudite structure which have shown good potential for thermoelectric applications. Single phase, polycrystalline samples were prepared and characterized by x-ray analysis, electron probe microanalysis, density, sound velocity, thermal-expansion coefficient, and differential thermal analysis measurements. Ru(0.5)Pd(0.5)Sb3 has a cubic lattice, space group Im3 (T(sup 5, sub h)), with a = 9.298 A and decomposes at about 920 K. The Seebeck coefficient, the electrical resistivity, the Hall effect, and the thermal conductivity were measured on hot-pressed samples over a wide range of temperatures. Preliminary results show that Ru(0.5)Pd(0.5)Sb3 behaves as a heavily doped semiconductor with an estimated band gap of about 0.6 eV. The lattice thermal conductivity of Ru(0.5)Pd(0.5)Sb3 is substantially lower than that of the binary isostructural compounds CoSb3 and IrSb3. The unusually low thermal conductivity might be explained by additional hole and charge transfer phonon scattering in this material. The potential of this material for thermoelectric applications is discussed.

Caillat, T.↗
NASA NTRS2014

Thermoelectric Skutterudite Compositions and Methods for Producing the Same

Compositions related to skutterudite-based thermoelectric materials are disclosed. Such compositions can result in materials that have enhanced ZT values relative to one or more bulk materials from which the compositions are derived. Thermoelectric materials such as n-type and p-type skutterudites with high thermoelectric figures-of-merit can include materials with filler atoms and/or materials formed by compacting particles (e.g., nanoparticles) into a material with a plurality of grains each having a portion having a skutterudite-based structure. Methods of forming thermoelectric skutterudites, which can include the use of hot press processes to consolidate particles, are also disclosed. The particles to be consolidated can be derived from (e.g., grinded from), skutterudite-based bulk materials, elemental materials, other non-Skutterudite-based materials, or combinations of such materials.

Ren, Zhifeng↗
NASA NTRS1998

Advanced thermoelectric materials with enhanced crystal lattice structure and methods of preparation

New skutterudite phases including Ru.sub.0.5 Pd.sub.0.5 Sb.sub.3, RuSb.sub.2 Te, and FeSb.sub.2 Te, have been prepared having desirable thermoelectric properties. In addition, a novel thermoelectric device has been prepared using skutterudite phase Fe.sub.0.5 Ni.sub.0.5 Sb.sub.3. The skutterudite-type crystal lattice structure of these semiconductor compounds and their enhanced thermoelectric properties results in semiconductor materials which may be used in the fabrication of thermoelectric elements to substantially improve the efficiency of the resulting thermoelectric device. Semiconductor materials having the desired skutterudite-type crystal lattice structure may be prepared in accordance with the present invention by using powder metallurgy techniques. Measurements of electrical and thermal transport properties of selected semiconductor materials prepared in accordance with the present invention, demonstrated high Hall mobilities and good Seebeck coefficients. These materials have low thermal conductivity and relatively low electrical resistivity, and are good candidates for low temperature thermoelectric applications.

Fleurial, Jean-Pierre↗
NASA NTRS2014

Thermoelectric properties of Co(x)Ni(4-x)Sb(12-y)Sn(y) ternary skutterudites

Thermoelectric materials based on the skutterudite crystal structure have demonstrated enhanced performance (ZT greater than 1), along with good thermal stability and favorable mechanical properties. Binary skutterudites, with single and multiple fillers, have been intensively studied in recent years. Compared to binary skutterudites, the ternary systems have received less attention, e.g. Ni4Sb8Sn4. Ternary skutterudites are isoelectronic variants of binary skutterudites; cation substitutions appear to be isostructural to their binary analogues. In general, ternary skutterudites exhibit lower thermal conductivity. Ternary systems of Ni4Bi8Ge4, Ni4Sb8Ge4, and Ni4Sb8Sn4 were investigated using combined solidification and sintering steps. Skutterudite formation was not achieved in the Ni4Bi8Ge4 and Ni4Sb8Ge4 systems; skutterudite formation occurred in Ni4Sb8Sn4 system. P-type material was achieved by Co substitution for Ni. Thermoelectric properties were measured from 298 K to 673 K for Ni4Sb8Sn4, Ni4 Sb7Sn5 and Co2Ni2Sb7Sn5. N-type Ni4Sb8Sn4 exhibit the highest figure of merit of 0.1 at 523 K.

Seebeck Effect↗
NASA NTRS1997

Low Thermal Conductivity Skutterudites

Recent experimental results on semiconductors with the skutterudite crystal structure show that these materials possess attractive trasport properties and have a good potential for achieving ZT values substantially larger than for state-of-the-art thermoelectic materials.

Thermal↗
NASA NTRS1998

Promising Thermoelectric Materials for Terrestrial-Space Applications

Since the discovery of state-of-the-art thermoelectric materials in the 1960s, little improvement has been made in the thermoelectric material efficiency. Although numerous materials have been investigated for their thermoelectric properties, ZT value of 1 has not been significantly exceeded. This paper presents a new family of materials with the skutterudite crystal structure which, based on initial results obtained on several compounds of this family, has a good potential for thermoelectric applications. This class of materials covers a wide range of decomposition temperatures and bandgaps, which could be used for low, intermediate to high temperature applications.

thermoelectric material skutterudite↗
DOE OSTI2020

Materials Data on Co2(GeTe)3 by Materials Project

Co2(GeTe)3 is Skutterudite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ge and three equivalent Te atoms to form corner-sharing CoGe3Te3 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. All Co–Ge bond lengths are 2.38 Å. All Co–Te bond lengths are 2.52 Å. In the second Co site, Co is bonded to three Ge and three Te atoms to form corner-sharing CoGe3Te3 octahedra. The corner-sharing octahedra tilt angles range from 46–58°. There are a spread of Co–Ge bond distances ranging from 2.35–2.37 Å. There are two shorter (2.54 Å) and one longer (2.56 Å) Co–Te bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to two Co and two equivalent Te atoms. There are one shorter (2.78 Å) and one longer (2.96 Å) Ge–Te bond lengths. In the second Ge site, Ge is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Te atoms. There are one shorter (2.79 Å) and one longer (2.96 Å) Ge–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 4-coordinate geometry to two Co and two equivalent Ge atoms. In the second Te site, Te is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗