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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaGaO3 by Materials Project

LaGaO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.41 Å) and six longer (2.79 Å) La–O bond lengths. Ga3+ is bonded to six equivalent O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 22°. All Ga–O bond lengths are 2.00 Å. O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaGaO3 by Materials Project

LaGaO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. La3+ is bonded in a 11-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.82 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 20–26°. There are four shorter (2.00 Å) and two longer (2.02 Å) Ga–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaGaO3 by Materials Project

LaGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.80 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are two shorter (2.01 Å) and four longer (2.02 Å) Ga–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaGaO3 by Materials Project

LaGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one gallium molecule and one LaO3 framework. In the LaO3 framework, La3+ is bonded to six equivalent O2- atoms to form corner-sharing LaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–O bond lengths are 2.30 Å. O2- is bonded in a linear geometry to two equivalent La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaGaO3 by Materials Project

LaGaO3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.84 Å. Ga3+ is bonded to six equivalent O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are three shorter (2.00 Å) and three longer (2.01 Å) Ga–O bond lengths. O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Improved cell performance and sulphur tolerance using A-site substituted Sr2Fe1.4Ni0.1Mo0.5O6–δ anodes for solid-oxide fuel cells

Abstract Solid-oxide fuel cells (SOFCs) offer great promise for producing electricity using a wide variety of fuels such as natural gas, coal gas and gasified carbonaceous solids; however, conventional nickel-based anodes face great challenges due to contaminants in readily available fuels, especially sulphur-containing compounds. Thus, the development of new anode materials that can suppress sulphur poisoning is crucial to the realization of fuel-flexible and cost-effective SOFCs. In this work, La0.1Sr1.9Fe1.4Ni0.1Mo0.5O6–δ (LSFNM) and Pr0.1Sr1.9Fe1.4Ni0.1Mo0.5O6–δ (PSFNM) materials have been synthesized using a sol-gel method in air and investigated as anode materials for SOFCs. Metallic nanoparticle-decorated ceramic anodes were obtained by the reduction of LSFNM and PSFNM in H2 at 850°C, forming a Ruddlesden–Popper oxide with exsolved FeNi3 bimetallic nanoparticles. The electrochemical performance of the Sr2Fe1.4Ni0.1Mo0.5O6–δ ceramic anode was greatly enhanced by La doping of A-sites, resulting in a 44% decrease in the polarization resistance in reducing atmosphere. The maximum power densities of Sr- and Mg-doped LaGaO3 (LSGM) (300 μm) electrolyte-supported single cells with LSFNM as the anode reached 1.371 W cm −2 in H2 and 1.306 W cm–2 in 50 ppm H2S–H2 at 850°C. Meanwhile, PSFNM showed improved sulphur tolerance, which could be fully recovered after six cycles from H2 to 50 ppm H2S–H2 operation. This study indicates that LSFNM and PSFNM are promising high-performance anodes for SOFCs.

Li, Haixia↗