Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “La2NiO4”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La2NiO4 by Materials Project

La2NiO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.32–2.92 Å. In the second La3+ site, La3+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.91 Å. Ni2+ is bonded to five O2- atoms to form corner-sharing NiO5 square pyramids. There are a spread of Ni–O bond distances ranging from 1.95–2.17 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to five La3+ and one Ni2+ atom. In the second O2- site, O2- is bonded to four La3+ and one Ni2+ atom to form distorted OLa4Ni trigonal bipyramids that share a cornercorner with one OLa3Ni2 square pyramid, corners with six equivalent OLa4Ni trigonal bipyramids, and edges with three equivalent OLa3Ni2 square pyramids. In the third O2- site, O2- is bonded in a 1-coordinate geometry to five La3+ and one Ni2+ atom. In the fourth O2- site, O2- is bonded to three La3+ and two equivalent Ni2+ atoms to form distorted OLa3Ni2 square pyramids that share corners with four equivalent OLa3Ni2 square pyramids, a cornercorner with one OLa4Ni trigonal bipyramid, and edges with three equivalent OLa4Ni trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2NiO4 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2024

Strain-tuned incompatible magnetic exchange-interaction in La2NiO4

Abstract Magnetic frustration is a route for novel ground states, including spin liquids and spin ices. Such frustration can be introduced through either lattice geometry or incompatible exchange interactions. Here, we find that epitaxial strain is an effective tool for tuning antiferromagnetic exchange interactions in a square-lattice system. By studying the magnon excitations in La 2 NiO 4 films using resonant inelastic x-ray scattering, we show that the magnon displays substantial dispersion along the antiferromagnetic zone boundary, at energies that depend on the lattice of the film’s substrate. Using first principles simulations and an effective spin model, we demonstrate that the antiferromagnetic next-nearest neighbour coupling is a consequence of the two-orbital nature of La 2 NiO 4 . Altogether, we illustrate that compressive epitaxial strain enhances this coupling and, as a result, increases the level of incompatibility between exchange interactions within a model square-lattice system.

Physics↗
DOE OSTI2021

Rare Earth Nickelate Electrodes Containing Heavily Doped Ceria for Reversible Solid Oxide Fuel Cells

The electrochemical performance of composite rare-earth nickelate-rare-earth doped ceria oxygen electrodes, with a high level of rare-earth doping in ceria are reported. Additionally, the chemical stability of these compositions is reported at both the sintering (1240 ?C) and operating temperature (800 ?C). Specifically, a lanthanum nickelate La2NiO4+d (LNO) ?? 50 mol% lanthanum doped ceria (LDC50) oxygen electrode and a neodymium nickelate Nd2NiO4+d (NNO) ?? 50 mol% neodymium doped ceria (NDC50) oxygen electrode are tested in solid oxide fuel cell (SOFC) and solid oxide electrolysis cell (SOEC) modes and compared to a composite (La0.75Sr0.25)0.95MnO3±d (LSM)-8 mol% yttria stabilized zirconia (YSZ) electrode. The LNO–LDC50 oxygen electrode reaches a current density which is approximately three times that of the LSM-YSZ electrode in SOFC mode at 0.7 V and approximately two times the LSM-YSZ electrode at 1.2 V in SOEC mode. Similarly the NNONDC50 oxygen electrode reaches a current density which is approximately two times and approximately one and a half times that of LSM-YSZ at 0.7 V and 1.2 V respectively. Oxygen surface exchange results for LNO and NNO are also reported which show different oxygen exchange kinetics during oxidation versus reduction steps.

solid oxide electrolysis, solid oxide fuel cell (S↗
DOE OSTI2024

Template Assisted Lithium Superoxide Growth for Lithium-Oxygen Batteries

Developing batteries with energy densities comparable to internal combustion technology is essential for a worldwide transition to electrified transportation. Li-O2 batteries are seen as the ‘holy grail’ of battery technologies since they have the highest theoretical energy density of all battery technologies. Current lithium-oxygen (Li-O2) batteries suffer from large charge overpotentials related to electronic resistivity of the insulating lithium peroxide (Li2O2) discharge product. One potential solution is the formation and stabilization of a lithium superoxide (LiO2) discharge intermediate that exhibits good electronic conductivity. However, LiO2 is reported to be unstable at ambient temperature despite its favorable formation energy at -1.0 eV/atom. In this paper, based on our recent work on the development of cathode materials for aprotic lithium oxygen batteries including two intermetallic compounds, LiIr3 and LiIr, that are found to form good template interfaces with LiO2, a simple goodness of fit R factor to gauge how well a template surface structure can support LiO2 growth is developed. The R factor is a quantitative measurement to calculate the geometric difference in the unit cells of specific Miller Index 2D planes of the template surface and LiO2. Using this as a guide, the R factors for LiIr3, LiIr, and La2NiO4+, are found to be good. This guide is attested by simple extension to other noble metal intermetallics with electrochemical cycling data including LiRh3, LiRh, and Li2Pd. Finally, the template concept is extended to main group elements and the R factors for LiO2 (111) and Li2Ca suggest that Li2Ca is a possible candidate for the template assisted LiO2 growth strategy.

Intermetallics↗
DOE OSTI2023

Role of phosphorus impurities in decomposition of La 2 NiO 4 –La 0.5 Ce 0.5 O 2-δ oxygen electrode in a solid oxide electrolysis cell

This study explored the decomposition mechanism of a La 2 NiO 4 (LNO) phase in the La 2 NiO 4 –La 0.5 Ce 0.5 O 2-δ (LNO-LDC) oxygen electrode in a solid oxide electrolysis cell (SOEC) after testing at 800 °C. Scanning electron microscopy and scanning transmission electron microscopy examinations of the LNO-LDC oxygen electrode before and after testing were undertaken. Other than phosphorus contamination in the form of P-rich grains and P-rich deposits along all grain boundaries (GBs), LNO and LDC phases were intact without degradation in the as-fabricated electrode. However, mild to aggressive LNO phase decomposition triggered by the phosphorus poisoned GBs was observed after testing at 800 °C for 900 h. The evolution of the LNO phase decomposition was noted beginning with the exsolution of Ni into the surrounding LNO matrix and GBs, forming La-rich and Ni-rich phases correspondingly, in the LNO. Importantly, this study illustrates a detailed decomposition progress of the LNO phase at the atomic level under an SOEC operation condition, and sheds light on how to ameliorate the fabrication process of SOECs to enhance their performance and durability.

25 ENERGY STORAGE↗
DOE OSTI2021

Micromachined ceramic-based chipless LC resonator for high-temperature wireless sensing applications in harsh environments

The primary objective of this work was the fabrication and testing of a wireless LC resonator based on micro-patterned electroceramic materials for the monitoring of high-temperature systems. The twodimensional planar LC resonator sensors were designed and simulated using ANSYS Maxwell software, and these sensors were then fabricated from electrically conductive La 2 NiO 4 /Al 2 O 3 particulate inks. Initially, the phases of La 2 NiO 4 /Al 2 O 3 composite were evaluated by XRD. The patterning and deposition of the ink were completed using a novel micro-casting process onto Al 2 O 3 ceramic substrates, and the final pattern was bonded onto the substrate at 1200 °C for 2 h. The features and the reliability were analyzed by SEM microscopy. The frequency shift with respect to temperature was measured, which is directly related to changes in the sensor’s dielectric permittivity and pattern dimensions. The sensors were characterized at 500 °C–1000 °C in an ambient atmosphere with an RF signal ranging from 10–80 MHz at 175 kHz·s –1 sweep rate. The sensors showed a sensitivity of ~350 kHz °C –1 from 500 °C–1000 °C. Here, a new robust and adaptive signal processing approach was introduced to increase the degree of freedom for analyzing wireless sensors.

42 ENGINEERING↗