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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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The effects of lithium doping level on the structural, electrical properties of Li{sup +}-doped BPO{sub 4} solid electrolyte

Graphical abstract: - Highlights: • Better ionic conductivities when 0.05 ≤ x ≤ 0.13. • V{sup ‴}{sub B}+3Li{sub i} model was preferred. • Grain size, lattice strain and Li{sup +}conductivity are closely related. - Abstract: A series of lithium ion conducting solid electrolytes Li{sub x}B{sub 1−x/3}PO{sub 4}(x = 0.01, 0.05, 0.09, 0.13, 0.17, 0.20) is synthesized by a soft-chemistry route. FTIR and XRD measurements reveal that the electrolyte is pure phase of tetragonal structure. AC-impedance spectroscopy (AC-IS) at room temperature shows that Li{sub x}B{sub 1−x/3}PO{sub 4} exhibits higher ionic conductivities in the range 0.05 ≤ x ≤ 0.13, beyond which, the ionic conductivities decrease quickly. Maximum ionic conductivity of the Li{sub x}B{sub 1−x/3}PO{sub 4} reaches 3.35 × 10{sup −5} S cm{sup −1} at room temperature for x = 0.05. Direct current polarizing (DCP) measurement indicates that the decomposition voltage for the solid electrolyte reaches up to 3.7 V. Micro-structure parameters of synthesized Li{sub x}B{sub 1−x/3}PO{sub 4} samples are calculated by Rietveld refinement of X-ray diffraction spectra. The unit-cell parameters, lattice strain, crystal grain size and ionic conductivities of the samples are correlated with the lithium ion doping level x.

36 MATERIALS SCIENCE↗

Materials Data on AcI3 by Materials Project

AcI3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two AcI3 ribbons oriented in the (0, 0, 1) direction. Ac3+ is bonded to six equivalent I1- atoms to form distorted face-sharing AcI6 pentagonal pyramids. All Ac–I bond lengths are 3.29 Å. I1- is bonded in an L-shaped geometry to two equivalent Ac3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ac3I by Materials Project

Ac3I crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded in a distorted see-saw-like geometry to four equivalent I atoms. There are two shorter (3.77 Å) and two longer (3.96 Å) Ac–I bond lengths. I is bonded to twelve equivalent Ac atoms to form a mixture of corner and face-sharing IAc12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Y by Materials Project

Ac3Y is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Y atoms to form AcAc8Y4 cuboctahedra that share corners with four equivalent YAc12 cuboctahedra, corners with fourteen equivalent AcAc8Y4 cuboctahedra, edges with six equivalent YAc12 cuboctahedra, edges with twelve equivalent AcAc8Y4 cuboctahedra, faces with four equivalent YAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Y4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.86–3.98 Å. There are two shorter (3.88 Å) and two longer (3.92 Å) Ac–Y bond lengths. Y is bonded to twelve equivalent Ac atoms to form YAc12 cuboctahedra that share corners with six equivalent YAc12 cuboctahedra, corners with twelve equivalent AcAc8Y4 cuboctahedra, edges with eighteen equivalent AcAc8Y4 cuboctahedra, faces with eight equivalent YAc12 cuboctahedra, and faces with twelve equivalent AcAc8Y4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Y by Materials Project

Ac3Y is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Y atoms to form AcAc8Y4 cuboctahedra that share corners with twelve equivalent AcAc8Y4 cuboctahedra, edges with eight equivalent YAc12 cuboctahedra, edges with sixteen AcAc8Y4 cuboctahedra, faces with four equivalent YAc12 cuboctahedra, and faces with fourteen AcAc8Y4 cuboctahedra. All Ac–Ac bond lengths are 3.90 Å. All Ac–Y bond lengths are 3.90 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Y atoms to form AcAc8Y4 cuboctahedra that share corners with four equivalent AcAc8Y4 cuboctahedra, corners with eight equivalent YAc12 cuboctahedra, edges with twenty-four AcAc8Y4 cuboctahedra, faces with six equivalent YAc12 cuboctahedra, and faces with twelve AcAc8Y4 cuboctahedra. All Ac–Y bond lengths are 3.90 Å. Y is bonded to twelve Ac atoms to form YAc12 cuboctahedra that share corners with four equivalent YAc12 cuboctahedra, corners with eight equivalent AcAc8Y4 cuboctahedra, edges with eight equivalent YAc12 cuboctahedra, edges with sixteen equivalent AcAc8Y4 cuboctahedra, faces with four equivalent YAc12 cuboctahedra, and faces with fourteen AcAc8Y4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on AcY3 by Materials Project

AcY3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac is bonded to twelve equivalent Y atoms to form AcY12 cuboctahedra that share corners with twelve equivalent AcY12 cuboctahedra, edges with twenty-four equivalent YAc4Y8 cuboctahedra, faces with six equivalent AcY12 cuboctahedra, and faces with twelve equivalent YAc4Y8 cuboctahedra. All Ac–Y bond lengths are 3.69 Å. Y is bonded to four equivalent Ac and eight equivalent Y atoms to form YAc4Y8 cuboctahedra that share corners with twelve equivalent YAc4Y8 cuboctahedra, edges with eight equivalent AcY12 cuboctahedra, edges with sixteen equivalent YAc4Y8 cuboctahedra, faces with four equivalent AcY12 cuboctahedra, and faces with fourteen equivalent YAc4Y8 cuboctahedra. All Y–Y bond lengths are 3.69 Å.

36 MATERIALS SCIENCE↗

Materials Data on Ac3I by Materials Project

Ac3I is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to four equivalent I atoms to form a mixture of distorted corner and edge-sharing AcI4 cuboctahedra. All Ac–I bond lengths are 3.93 Å. In the second Ac site, Ac is bonded in a square co-planar geometry to four equivalent I atoms. All Ac–I bond lengths are 3.85 Å. I is bonded to twelve Ac atoms to form a mixture of corner, edge, and face-sharing IAc12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on AcY3 by Materials Project

AcY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac is bonded to twelve Y atoms to form AcY12 cuboctahedra that share corners with four equivalent AcY12 cuboctahedra, corners with eight equivalent YAc4Y8 cuboctahedra, edges with eight equivalent AcY12 cuboctahedra, edges with sixteen equivalent YAc4Y8 cuboctahedra, faces with four equivalent AcY12 cuboctahedra, and faces with fourteen YAc4Y8 cuboctahedra. There are eight shorter (3.69 Å) and four longer (3.70 Å) Ac–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Ac and eight Y atoms to form YAc4Y8 cuboctahedra that share corners with twelve equivalent YAc4Y8 cuboctahedra, edges with eight equivalent AcY12 cuboctahedra, edges with sixteen YAc4Y8 cuboctahedra, faces with four equivalent AcY12 cuboctahedra, and faces with fourteen YAc4Y8 cuboctahedra. There are four shorter (3.69 Å) and four longer (3.70 Å) Y–Y bond lengths. In the second Y site, Y is bonded to four equivalent Ac and eight equivalent Y atoms to form YAc4Y8 cuboctahedra that share corners with four equivalent YAc4Y8 cuboctahedra, corners with eight equivalent AcY12 cuboctahedra, edges with twenty-four YAc4Y8 cuboctahedra, faces with six equivalent AcY12 cuboctahedra, and faces with twelve YAc4Y8 cuboctahedra.

36 MATERIALS SCIENCE↗