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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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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Operando Acoustic Monitoring of SEI Formation and Long-Term Cycling in NMC/SiGr Composite Pouch Cells

Stable long-term cycling and solid-electrolyte-interphase (SEI) formation are key challenges in the design of Si/graphite composites as Li-ion battery (LIB) anode materials. Typically, these long-term cycling properties are examined in flooded half-cell settings making use of a Li-metal counter electrode and a Si/graphite working electrode. This form factor has the advantage of offering an unlimited supply of Li-ions and electrolyte, thus isolating performance degradation to the passivation of the working electrode. However, half-cell studies are ineffective in revealing performance and degradation mechanisms of the Si/graphite composite in a more commercially realistic full cell setting. This paper outlines an operando acoustic technique that can offer insights on SEI formation and capacity degradation of Si/graphite composites in a full cell setting. Through a combination of electrochemical and chemical analyses, we show that increasing passivation of the silicon particles in the Si/graphite composite anode is correlated with an increase in the acoustic time-of-flight shift. We further show that temporary loss of the acoustic signal during the first cycle is associated with significant gassing of the cell. The operando acoustic technique outlined here is low-cost, simple to setup and has the potential for localized resolution, indicating usefulness in commercial-scale Si/graphite cell quality control and diagnosis.

42 ENGINEERING↗
DOE OSTI2022

Estudio de Resiliencia de la Red Electrica de Puerto Rico y Transiciones a Energia 100% Renovable (PR100): Actualizacion de Progreso de Seis Meses [Slides]

Puerto Rico se ha comprometido a satisfacer sus necesidades de electricidad con un 100% de energia renovable para 2050, junto con el cumplimiento de objetivos intermedios del 40% para 2025, el 60% para 2040, la eliminacion gradual de la generacion a base de carbon para 2028, y una mejora del 30% en la eficiencia energetica para 2040, segun lo establecido en la Ley de Politica Publica Energetica de Puerto Rico (Ley 17). Desde los huracanes Irma y Maria en septiembre de 2017, DOE y sus laboratorios nacionales han proporcionado a las partes interesadas del sistema energetico de Puerto Rico herramientas, adiestramiento y apoyo de modelaje para permitir la planificacion y el funcionamiento de la red electrica con mas resiliencia frente a nuevas interrupciones. El 2 de febrero de 2022, DOE, FEMA y seis laboratorios nacionales lanzaron el Estudio de Resiliencia de la Red Electrica de Puerto Rico y Transicion a la Energia 100% Renovable (PR100), de dos anos de duracion, para llevar a cabo un analisis exhaustivo de las vias impulsadas por las partes interesadas para el futuro energetico de Puerto Rico. El analisis energetico, solido y objetivo, comprende cinco actividades, con enfasis en la confiabilidad del sistema electrico, la resiliencia y la planificacion de la generacion. Esta presentacion se realizo en un seminario web publico el 21 de julio del 2022, proporcionando un resumen general del progreso en los primeros seis meses del Estudio, incluyendo la presentacion de cuatro escenarios iniciales definidos mediante un rol activo de las partes interesadas. This is the Spanish translation of NREL/PR-6A20-83431.

14 SOLAR ENERGY↗
DOE OSTI2022

Estudio de Resiliencia de la Red Electrica de Puerto Rico y Transicion a Energia 100% Renovable (PR100): Actualizacion de Progreso de Seis Meses [Slides]

Puerto Rico se ha comprometido a satisfacer sus necesidades de electricidad con un 100% de energia renovable para 2050, junto con el cumplimiento de objetivos intermedios del 40% para 2025, el 60% para 2040, la eliminacion gradual de la generacion a base de carbon para 2028, y una mejora del 30% en la eficiencia energetica para 2040, segun lo establecido en la Ley de Politica Publica Energetica de Puerto Rico (Ley 17). Desde los huracanes Irma y Maria en septiembre de 2017, DOE y sus laboratorios nacionales han proporcionado a las partes interesadas del sistema energetico de Puerto Rico herramientas, adiestramiento y apoyo de modelaje para permitir la planificacion y el funcionamiento de la red electrica con mas resiliencia frente a nuevas interrupciones. El 2 de febrero de 2022, DOE, FEMA y seis laboratorios nacionales lanzaron el Estudio de Resiliencia de la Red Electrica de Puerto Rico y Transicion a la Energia 100% Renovable (PR100), de dos anos de duracion, para llevar a cabo un analisis exhaustivo de las vias impulsadas por las partes interesadas para el futuro energetico de Puerto Rico. El analisis energetico, solido y objetivo, comprende cinco actividades, con enfasis en la confiabilidad del sistema electrico, la resiliencia y la planificacion de la generacion. Esta presentacion provee una actualizacion de progreso del trabajo de seis meses sobre el Estudio, incluyendo la presentacion de cuatro escenarios iniciales definidos mediante un rol activo de las partes interesadas. This is the Spanish translation of NREL/PR-6A20-83432.

14 SOLAR ENERGY↗
DOE OSTI2021

Anatomy of Continuous Mars SEIS and Pressure Data from Unsupervised Learning

The seismic noise recorded by the Interior Exploration using Seismic Investigations, Geodesy, and Heat Transport (InSight) seismometer (Seismic Experiment for Interior Structure [SEIS]) has a strong daily quasi-periodicity and numerous transient microevents, associated mostly with an active Martian environment with wind bursts, pressure drops, in addition to thermally induced lander and instrument cracks. That noise is far from the Earth’s microseismic noise. Quantifying the importance of nonstochasticity and identifying these microevents is mandatory for improving continuous data quality and noise analysis techniques, including autocorrelation. Cataloging these events has so far been made with specific algorithms and operator’s visual inspection. We investigate here the continuous data with an unsupervised deep-learning approach built on a deep scattering network. This leads to the successful detection and clustering of these microevents as well as better determination of daily cycles associated with changes in the intensity and color of the background noise. We first provide a description of our approach, and then present the learned clusters followed by a study of their origin and associated physical phenomena. We show that the clustering is robust over several Martian days, showing distinct types of glitches that repeat at a rate of several tens per sol with stable time differences. We show that the clustering and detection efficiency for pressure drops and glitches is comparable to or better than manual or targeted detection techniques proposed to date, noticeably with an unsupervised approach. Finally, here we discuss the origin of other clusters found, especially glitch sequences with stable time offsets that might generate artifacts in autocorrelation analyses. We conclude with presenting the potential of unsupervised learning for long-term space mission operations, in particular, for geophysical and environmental observatories.

58 GEOSCIENCES↗
DOE OSTI2021

Chemical Interplay of Silicon and Graphite in a Composite Electrode in SEI Formation

In this study, we investigated the effect of the Si/graphite weight ratio in half-cells on the solid electrolyte interphase (SEI) layer's chemistry. The nominal concentrations of active materials were (wt % Si/wt % Gr) 15/73, 30/58, 60/28, and 80/0. The electrolyte in the cells consisted of either 1.2 M LiPF 6 in ethylene carbonate/ethyl methyl carbonate (3:7 by wt) or 1.2 M LiPF 6 in ethylene carbonate:ethyl methyl carbonate (3:7 by wt) + 10 wt % fluoroethylene carbonate. These coin cells were cycled five times at the C/10 rate. As expected, the addition of silicon to the electrode significantly increased the measured capacity. Examination of the aged composite material showed that the electrolyte influenced the concentration of chemical environments on the surface. Depth profiling revealed that these concentrations of surface environments changed with sputtering time. A statistics-of-mixtures model was used to deconvolute how silicon and graphite interacted during the formation of these species and how the interaction changed with depth.

25 ENERGY STORAGE↗
DOE OSTI2026

Integrative Additive Design for Robust SEI Formation in NMC811||Silicon Batteries

Silicon (Si) is considered a promising replacement for graphite anodes in lithium-ion batteries (LIBs) due to its high abundance and exceptional specific capacity, but its widespread commercialization has been hindered by poor electrochemical performance. Among various strategies, the use of functional additives has emerged as one of the most effective and cost-efficient methods to enhance the electrochemical properties of LIBs. In this study, several additives—vinylene carbonate (VC), vinyl ethylene carbonate (VEC), lithium difluorophosphate (LiDFP), lithium difluoro(oxalato)borate (LiDFOB), lithium tetrafluorooxalatophosphate (LiTFOP), and lithium difluorobis(oxalato)phosphate (LiDFBOP)—were systematically investigated in LiNi₀.₈Mn₀.₁Co₀.₁O₂ (NMC811)||Si full cells. Notably, LiDFBOP, a lithium salt containing two oxalate groups, outperformed all other additives, delivering the best capacity retention after 300 cycles. Comprehensive characterizations, including FTIR, SEM, and XPS, revealed that LiDFBOP's superior performance stems from its ability to form a more stable solid electrolyte interphase (SEI) on the Si anode, owing to its favorable molecular structure that integrates the beneficial features of the other additives.

25 ENERGY STORAGE↗
DOE OSTI2023

Solid electrolyte interphase (SEI) application on anode of fluoride ion/shuttle batteries

The present disclosure is directed to fluoride (F) ion batteries and F shuttle batteries comprising an anode with a solid electrolyte interphase (SEI) layer, a cathode comprising a core shell structure, and a liquid fluoride battery electrolyte. According to some aspects, the components therein enable discharge and recharge at room-temperature.

Xu, Qingmin↗
DOE OSTI2020

Materials Data on Hg3(SeI)2 by Materials Project

Hg3Se2I2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to two equivalent Se2- and two equivalent I1- atoms. Both Hg–Se bond lengths are 2.60 Å. Both Hg–I bond lengths are 3.19 Å. In the second Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to two equivalent Se2- and four I1- atoms. Both Hg–Se bond lengths are 2.57 Å. There are a spread of Hg–I bond distances ranging from 3.19–3.83 Å. In the third Hg2+ site, Hg2+ is bonded in a 5-coordinate geometry to two equivalent Se2- and three I1- atoms. Both Hg–Se bond lengths are 2.59 Å. There are a spread of Hg–I bond distances ranging from 3.12–3.82 Å. Se2- is bonded in a 3-coordinate geometry to three Hg2+ atoms. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to four Hg2+ atoms. In the second I1- site, I1- is bonded in a distorted L-shaped geometry to four equivalent Hg2+ atoms. In the third I1- site, I1- is bonded in a 4-coordinate geometry to six Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hg3(SeI)2 by Materials Project

Hg3Se2I2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to two Se2- and four I1- atoms. There are one shorter (2.58 Å) and one longer (2.60 Å) Hg–Se bond lengths. There are a spread of Hg–I bond distances ranging from 3.17–3.93 Å. In the second Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to two equivalent Se2- and four I1- atoms. Both Hg–Se bond lengths are 2.57 Å. There are a spread of Hg–I bond distances ranging from 3.22–3.88 Å. In the third Hg2+ site, Hg2+ is bonded to two Se2- and four I1- atoms to form a mixture of distorted corner and edge-sharing HgSe2I4 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. Both Hg–Se bond lengths are 2.57 Å. There are a spread of Hg–I bond distances ranging from 3.40–3.69 Å. In the fourth Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to two equivalent Se2- and two I1- atoms. Both Hg–Se bond lengths are 2.60 Å. There are one shorter (3.07 Å) and one longer (3.23 Å) Hg–I bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three Hg2+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Hg2+ atoms. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four Hg2+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three Hg2+ atoms. In the third I1- site, I1- is bonded in a 6-coordinate geometry to six Hg2+ atoms. In the fourth I1- site, I1- is bonded in a 8-coordinate geometry to eight Hg2+ atoms. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to ten Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Selective NMR observation of the SEI–metal interface by dynamic nuclear polarisation from lithium metal

While lithium metal represents the ultimate high-energy-density battery anode material, its use is limited by dendrite formation and associated safety risks, motivating studies of the solid–electrolyte interphase layer that forms on the lithium, which is key in controlling lithium metal deposition. Dynamic nuclear polarisation enhanced NMR can provide important structural information; however, typical exogenous dynamic nuclear polarisation experiments, in which organic radicals are added to the sample, require cryogenic sample cooling and are not selective for the interface between the metal and the solid–electrolyte interphase. Here we instead exploit the conduction electrons of lithium metal to achieve an order of magnitude hyperpolarisation at room temperature. We enhance the 7 Li, 1 H and 19 F NMR spectra of solid–electrolyte interphase species selectively, revealing their chemical nature and spatial distribution. These experiments pave the way for more ambitious room temperature in situ dynamic nuclear polarisation studies of batteries and the selective enhancement of metal–solid interfaces in a wider range of systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗