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At least 343 records · Page 19

Lithium oxidation and electrolyte decomposition at Li-metal/liquid electrolyte interfaces

In this work, we examine the evolution of events occurring when a Li metal surface is in contact with a 2 M solution of a Li salt in a solvent or mixture of solvents, via classical molecular dynamics simulations with a reactive force field allowing bond breaking and bond forming. The main events include Li oxidation and electrolyte reduction along with expansion of the Li surface layers forming a porous phase that is the basis for the formation of the solid-electrolyte interphase (SEI) components. Nucleation of the main SEI components (LiF, Li oxides, and some organics) is characterized. The analysis clearly reveals the details of these physical–chemical events as a function of time, during 20 nanoseconds. The effects of the chemistry of the electrolyte on Li oxidation and dissolution in the liquid electrolyte, and SEI nucleation and structure are identified by testing two salts: LiPF 6 and LiCF 3 SO 3 , and various solvents including ethers and carbonates and mixtures of them. The kinetics and thermodynamics of Li 6 F, the core nuclei in the LiF crystal, are studied by analysis of the MD trajectories, and via density functional theory calculations respectively. The SEI formed in this computational experiment is the “native” film that would form upon contact of the Li foil with the liquid electrolyte. As such, this work is the first in a series of computational experiments that will help elucidate the intricate interphase layer formed during battery cycling using metal anodes.

25 ENERGY STORAGE↗

Efficient diffusion of superdense lithium via atomic channels for dendrite-free lithium–metal batteries

The non-uniform aggregation of fast-diffused Li on an anode surface would aggravate its tip-effect-induced nucleation/growth, leading to the notorious dendrite growth in Li metal batteries (LMBs). Tuning the Li diffusion on the anode surface has been regarded previously as a mainstream method to induce its uniform deposition, while the diffusion of Li in the anode bulk is usually ignored. In this study, conceptually different from the classic surface modification, we propose a molecular tunnelling strategy to construct atomic channels in graphite bulk, which enables the fast diffusion of superdense Li. Density functional theory calculations and ab initio molecular dynamics simulations prove that the bulk diffusion through atomic channels could become a new and dominating path. Its reversible and efficient diffusion has been further visualized by in situ transmission electron microscopy. As a result, when coupled with high-loading LiFePO 4 cathodes (20 mg cm –2 ), a high areal capacity and 100% capacity retention are achieved over 370 cycles. Through this work a new strategy is developed based on the bulk-diffusion of superdense Li for dendrite-free LMBs, which can be pervasive in other high-performance energy storage systems.

25 ENERGY STORAGE↗

Process Systems Engineering-Informed Design and Scale-Up of Multi-stage Diafiltration Cascades for Lithium and Cobalt Recovery from Spent Lithium-Ion Batteries

These slides present work jointly completed by Tasks in PrOMMiS. The first half of the presentation motivates the importance of critical materials for national security and how the recovery of critical minerals via membrane separations can be more cost effective than currently used technology. The second half of the presentation presents cost-optimal results for the custom cost model for diafiltration using the superstructure flowsheet developed by CMU. These results highlight how PSE can inform process targets (i.e., product purity targets) and suitable design strategies for scaled-up membrane cascades.

critical materials↗

Content of lithium, beryllium, boron, and titanium, and the isotopic composition of lithium, boron, and magnesium in Luna 16 regolith sample

The abundance of the following elements in the L 16-19 No. 118 regolith sample, zone V was determined by isotopic dilution using a mass spectrometer equipped with a scattering ion source: Li -- 9.8, Be -- 1.2, Be -- 2.6, and Ti -- 1.92 percent. For comparison, these same elements were measured in samples of surface material returned by Apollo 11, Apollo 12, and Apollo 14, and in the terrestrial reference standard diabase W-1. The content of Li, Be, and B in the Luna 16 sample is nearly the same as in the Apollo 11 surface material. The surface material returned by Apollo 12 and Apollo 14 contains two to four times more of these elements. However, the abundance ratios of Li, Be, and B are remarkably similar in the surface materials from the four different lunar regions. With respect to basaltic achondrites and especially with respect to chondrites, the lunar basalts are enriched in Li, Be, and B up to 100 times.

Eugster, O.↗

Lithium in a short-period tidally locked binary of M67: Implications for stellar evolution, Galactic Lithium evolution, and cosmology

In open clusters, late-F stars exhibit a Li maximum (the Li 'peak' region) at lower abundance with age, which could be due either to stellar depletion or Galactic Li enrichment (or some other cause). We have observed a short-period tidally locked binary (SPTLB) on the Li peak region in the old cluster M67 to distinguish between alternatives. SPTLBs which synchronized in the early pre-main sequence would avoid the rotational mixing which, according to Yale models, may be responsible for depleting Li with age in open cluster dwarfs. We find that both components of the M67 SPTLB have a Li abundance lying about a factor of 2 or more above any other M67 single star and about a factor of 3 or more above the mean Li peak region abundance in M67. Our results suggest that the initial Li abundance in M67 is at least as high as approximately 3.0 = 12 + log (N(sub Li)/N(sub H)). Our high M67 SPTLB Li abundance and those in other clusters support the combination of Zahn's tidal circularization and the Yale rotational mixing theories and may indicate that the halo Li plateau (analogous to the cluster Li peak region) abundance has been depleted from a higher primordial value. Implications are discussed.

Deliyannis, Constantine P.↗

NASA Aerospace Flight Battery Program: Generic Safety, Handling and Qualification Guidelines for Lithium-Ion (Li-Ion) Batteries; Availability of Source Materials for Lithium-Ion (Li-Ion) Batteries; Maintaining Technical Communications Related to Aerospace Batteries (NASA Aerospace Battery Workshop)

This NASA Aerospace Flight Battery Systems Working Group was chartered within the NASA Engineering and Safety Center (NESC). The Battery Working Group was tasked to complete tasks and to propose proactive work to address battery related, agency-wide issues on an annual basis. In its first year of operation, this proactive program addressed various aspects of the validation and verification of aerospace battery systems for NASA missions. Studies were performed, issues were discussed and in many cases, test programs were executed to generate recommendations and guidelines to reduce risk associated with various aspects of implementing battery technology in the aerospace industry. This report contains the Appendices to the findings from the first year of the program's operations.

Manzo, Michelle A.↗