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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

The atmospheric excitation of earth orientation changes during MERIT

Geodetic estimates of earth orientation variations detected during the MERIT campaign (September 1983-November 1984) are compared with corresponding meteorological data. The geodetic data were obtained using VLBI, lunar laser ranging, and satellite laser ranging and the meteorological data were from the NMC in the U.S. and the European Centre for Medium Range Weather Forecasting (ECMRWF) in the U.K. The effects of changes in pressure, wind, and the inverted barometer ocean response on the excitation of the polar motion and the length of day are examined. The comparison between the meteorological and geodetic data reveals that the equatorial vector component of the atmospheric angular momentum (AAM) has significant annual and semiannual variations. Good correlation is detected between the geodetic polar motion data and the NMC pressure inverted barometer data combined with the ECMRWF wind estimates and semiannual agreement with the NMC pressure data is observed. There is also good correlation between the ECMRWF and NMC polar vector component of the AAM data and the geodetic length of day estimates, and good semiannual agreement with NMC pressure data is noted.

Eubanks, T. M.↗
NASA NTRS1987

Accuracy of atmospheric angular momentum estimates from operational analyses

An attempt is made to assess the accuracy of global atmospheric angular momentum determinations by comparing time series of this quantity derived from both the NMC and ECMWF zonal wind analyses for 1981-85. Over this period, the rms difference betwen the two atmospheric series is comparable to the difference between an atmospheric momentum series and the series that is consistent with observed (nontidal) changes in earth rotation. Most of the difference between the NMC and ECMWF global momentum values comes from the region between 33 deg S and 16 deg N. Differences between NMC and ECMWF regional momentum values become vanishingly small in the high latitudes of the Northern Hemisphere, but they remain large throughout the entire Southern Hemisphere. An annual signal of up to 0.5 m/s exists in the difference between the NMC and ECMWF tropospheric zonal wind fields. Although seemingly small, this signal is vertically coherent and leads to a marked annual component in the NMC-ECMWF difference momentum values in the tropics and also for the Northern Hemisphere as a whole.

Rosen, Richard D.↗
DOE OSTI2024

North America’s Potential for an Environmentally Sustainable Nickel, Manganese, and Cobalt Battery Value Chain

The Detroit Big Three General Motors (GMs), Ford, and Stellantis predict that electric vehicle (EV) sales will comprise 40–50% of the annual vehicle sales by 2030. Among the key components of LIBs, the LiNixMnyCo1−x−yO2 cathode, which comprises nickel, manganese, and cobalt (NMC) in various stoichiometric ratios, is widely used in EV batteries. This review reveals NMC cathodes from laboratory research. Furthermore, this study examines the environmental effect of NMC cathode production for EV batteries (including coating technologies), encompassing aspects such as energy consumption, water usage, and air emissions. Although gaps persist in NMC cathode environmental assessments (NMC111, NMC532, NMC622, and NMC811), limited life cycle assessments “(LCA)” have been conducted. Most available data originate from Asia (primarily China), accounting for 85% of the production of EV LIB cathode materials. The concept of battery passports for data collection on LIB components has been proposed to facilitate material traceability as a system for ensuring a sustainable supply chain for critical minerals. The automotive industry’s shift to electrification necessitates a sustainable supply chain from mine to vehicle end-of-life. As the critical mineral supply moves from Asia to North America, environmentally friendly industrial methods must be studied to provide this supply chain direction.

25 ENERGY STORAGE↗
DOE OSTI2026

Thermal Stability of LiNi x Mn y Co z O 2 Cathode Materials

Here, the thermal evolution of LiNi x Mn y Co z O 2 (NMC) lithium-ion battery electrode materials is examined at various states of charge (SOC) or lithium concentrations for a variety of Ni:Mn:Co ratios or electrode compositions. Synchrotron X-ray diffraction (XRD) combined with Rietveld analysis shows the onset decomposition temperatures of phases, decomposition products, lattice parameters, and phase fractions as a function of composition and SOC. SOC impacts the lattice parameters of the NMC phase, where a collapse of the c-axis in the NMC phases is noted due to lithium extraction. Among the compositions examined, the low-Ni NMC111 uncycled sample (NMC111 0% SOC) exhibited the highest thermal stability, with a decomposition temperature approximately 250 °C higher than that of NMC532 0% and NMC811 0%. When the SOC exceeds 50% (i.e., more than 0.4 mol of Li ions extracted), the influence of Ni content on the decomposition temperature becomes negligible, with decomposition occurring around 250−300 °C for all compositions. Ni content also affects the decomposition pathways: NMC111 tends to first form a TM 3 O 4 -type phase, where TM represents transition metals, before transforming into a TMO-type phase, whereas most of the NMC811 samples directly decompose into the TMO phase. The presence of metallic phases was confirmed by both XRD and thermogravimetric-differential scanning calorimetry (TGA-DSC) analysis, as a result of heating under inert conditions. The TGA-DSC results suggest that metallic phase formation is favored at lower SOC in samples with a higher Ni content. This work provides comprehensive insight into the thermal degradation pathways of NMC materials as a function of composition, SOC, and temperature.

Peng, Jian [Univ. of New South Wales, Sydney, NSW ↗
DOE OSTI2025

Hydrogen density mapping in biomolecular crystals through dynamic nuclear polarization

Many fundamental biological processes, including those in photosynthetic reaction centers and enzyme active sites, involve charge and energy transfer, bond cleavage, protonation and hydrogen bonding. Because H atoms play such central roles in these reactions, accurately determining their positions is essential. Yet, conventional X-ray crystallography primarily resolves the heavy atoms in biological structures and provides limited insight into hydrogen, even at atomic resolution. Neutron macromolecular crystallography (NMC) overcomes this limitation by offering exceptional sensitivity to hydrogen and deuterium. Here, we present a theoretical framework for the development of dynamic nuclear polarization NMC (DNP-NMC) techniques, which exploit the alignment of neutron and proton nuclear spins to enhance and tune the hydrogen signal contribution. The DNP-NMC approach advances the resolution of H atoms within biomolecular crystals, whether bound to protein residues or present in solvent. The method establishes key relationships for the coherent structure factor of polarized neutron scattering from hydrogenous matter. It theoretically achieves full accuracy in phase reconstruction and offers a path to improve neutron structure determination, achieving accuracies exceeding ≳80% by incorporating titration states. Using a variant of the hybrid input/output phase-retrieval algorithm, it allows recovery of the hydrogen density with ≳90% phase accuracy. In conclusion, we further discuss sources of experimental uncertainty for the upcoming DNP-enabled, quasi-Laue IMAGINE-X experiment at Oak Ridge National Laboratory's High Flux Isotope Reactor.

dynamic nuclear polarization↗
DOE OSTI2026

Cost Competitive Process of Battery Grade Oxides Preparation from Aged LIBs

The increasing demand for lithium-ion batteries (LIBs) is driving development of advanced recycling and refining methods. In this project, new cathode active materials are prepared from recycled lithium battery materials and subsequently electrochemically evaluated in coin cells. In detail, scrap LIBs were mechanically processed into a metal rich black mass, then reductive acid leached into an aqueous metal solution, and finally high-purity metal hydroxide precursor materials were prepared by selective electrochemical flow precipitation. Closed-loop LIB recycling into active electrode materials will enable US manufacturers to break their reliance on foreign sources of critical materials. For example, electroextraction process used here has potential to significantly reduce chemical & water use as well as waste production as compared to traditional metallurgic techniques. To this end, electroextracted materials refined from used batteries were collected and processed to be tested as precursor cathode active material (pCAM). For this project, two samples of high purity recycled NMC hydroxide (~1 kg each) were received from N th Cycle’s Ohio demonstration facility. The NMC compositions of the two materials are similar, and the levels of impurities have been confirmed. Indeed, impurities like copper, boron and sodium are present in quantities that could negatively impact battery performance. However, some studies have demonstrated that the control of the quantity of elements like copper or boron may improve the electrochemistry properties of Lithium-NMC batteries. The principal objective is to determine the electrochemical performance of these 2 NMC hydroxide batches and clearly determine the effect of the impurities on the performance.

25 ENERGY STORAGE↗
NASA NTRS1990

Tropical Pacific moisture variability

The objectives are to describe synoptic scale variability of moisture over the tropical Pacific Ocean and the systems leading to this variability; implement satellite analysis procedures in support of this effort, and to incorporate additional satellite information into operational analysis forecast systems at the National Meteorological Center (NMC). Composite satellite radiance patterns describe features detectable well before the development of synoptic scale tropical plumes. These typical features were extracted from historical files of Tiros Operational Vertical Sounder (TOVS) radiance observations for a pair of tropical plumes which developed during January 1989. Signals were inserted into the NMC operational medium range forecast model and a suite of model integrations were conducted. Many of the 48 h model errors of the historical forecasts were eliminated by the inclusion of more complete satellite observations. Three studies in satellite radiance analysis progressed. An analysis which blended TOVS moisture channels, OLR observations and European Center for Medium Weather Forecasts (ECMWF) model analysis to generate fields of total precipitable water comparable to those estimated from Scanning Multichannel Microwave Radiometer (SMMR) mu-wave observations. This study demonstrated that a 10 y climatology of precipitable water over the oceans is feasible, using available infrared observations (OLR and TOVS) and model analysis (ECMWF, NMC or similar quality). The estimates are sensitive to model quality and the estimating model must be updated with operational model changes. Coe developed a set of tropical plume and ITCZ composites from TOVS observations, and from NMC and ECMWF analyses which had been passed through a radiative transfer model to simulate TOVS radiances. The composites have been completed as well as many statistical diagnostics of individual TOVS channels. Analysis of the computations is commencing. Chung has initiated a study of the differences between TOVS observed vapor structure during El Nino Southern Oscillation (ENSO) (1983) and non-ENSO (1984) years. Preliminary diagnosis demonstrates gross moisture changes between warm and cold sea surface temperature episodes.

Mcguirk, James P.↗
NASA NTRS1989

Construction of surface pressure field from scatterometer wind field

An account of the construction of surface pressure fields from Seasat-A satellite scatterometer (SASS) winds as carried out by different methods, and the comparison of these pressure fields with those derived from in situ ship observations is presented. On the assumption that the pressure adjusts itself instantaneously to the motion field, it may be computed by various methods. One of these makes use of planetary boundary theory, and of the possible techniques in this category a two-layer iterative scheme admitting of the parametrization of diabatic and baroclinic effects and of secondary flow was chosen. A second method involves the assumption of zero two-dimensional divergence, leading to a Laplace's equation (the balance equation) in pressure, with the wind field serving as a forcing function. This method does not accommodate adiabatic or baroclinic effects, and requires a knowledge of the pressure at all boundary points. Two comparison fields are used for validation: the conventional operational analyses of the US National Meteorological Center (NMC), and the special analyses of the Gulf of Alaska Experiment (GOASEX), which were done by hand. The results of the computations were as follows: (1) The pressure fields, as computed from the SASS winds alone, closely approximated the NMC fields in regions where reasonable in situ coverage was available (typically, one or two mb differences over most of the chart, three to four mb in extreme cases); (2) In some cases the SASS-derived pressure fields displayed high-resolution phenomena not detected by the NMC fields, but evident in the GOASEX data; and, (3) As expected, the pressure fields derived from the balance equation were much smoother and less well resolved than the SASS-derived or NMC fields. The divergence as measured from the SASS winds is smaller than, but of the same order of magnitude as, the vorticity.

Wurtele, Morton G.↗
NASA NTRS1992

Modelling TOVS radiances of synoptic systems

Two operational analysis models, produced by ECMWF and NMC, are compared against observed satellite radiances by converting the analyzed variables into synthetic radiances using a radiative transfer model (RTM). Observed TOVS satellite radiances are used as a ground truth, since they are the only source of continuous, synoptic-scale resolution observations available over the data-sparse tropical Pacific Ocean. It is assumed that if the analysis models correctly simulate atmospheric conditions, the observed and modelled radiance fields will have similar patterns and magnitudes. In each of seven TOVS channels examined, the mean temperature difference between the models was small, but the differences between the models and the observations were large. The mean temperature difference within each channel was larger than the standard deviation in most cases. The moisture channels of the RTM were sensitive to changes in moisture content, but none of the channels were significantly affected by changes in temperature. Single-day modelled radiance analyses contain synoptic information similar to the satellite observations. ECMWF is often too noisy, producing features not verified by the satellite; NMC is often too smooth. NMC more closely resembles the TOVS contours. Modelled water vapor channel analyses resemble observed monthly and composited observations well, but do not accurately reproduce the highly-variable single-day fields. ECMWF generally has more accurate gradients. Neither model simulates the tropics well. The water vapor channels, especially channel eleven (weighted at 700 mb), most closely resembled the tropical plume composite described by McGuirk and Ulsh. The only plume evidence found in the thermal or microwave channels, in either the observations or the models, was a composite trough situated in the correct location, extending from the mid-latitudes into the subtropics. This feature was not readily discernable until the definition and mature stages. Additional information besides the modelled temperatures would be required to produce an accurate forecast for the tropics. Model patterns more closely resembled the observations in the quiescent atmosphere, though the magnitudes were not any closer. ECMWF simulates the TOVS quiescent state better than NMC. The moisture channels continue to present the most realistic patterns. The models contained more detail in the tropics than was verified by the satellite observations, apparently trying to force an active ITCZ. Lag correlations showed TOVS to be more persistent than the models. TOVS also showed a smoother lag trend, but all products appeared to have adequate ability to react to changes in the atmosphere over time.

Coe, Thomas Eddy↗
NASA NTRS1996

Validation of UARS Microwave Limb Sounder Temperature and Pressure Measurements

The accuracy and precision of the Upper Atmosphere Research Satellite (UARS) Microwave Limb Sounder (MLS) atmospheric temperature and tangent-point pressure measurements are described. Temperatures and tangent- point pressure (atmospheric pressure at the tangent height of the field of view boresight) are retrieved from a 15-channel 63-GHz radiometer measuring O2 microwave emissions from the stratosphere and mesosphere. The Version 3 data (first public release) contains scientifically useful temperatures from 22 to 0.46 hPa. Accuracy estimates are based on instrument performance, spectroscopic uncertainty and retrieval numerics, and range from 2.1 K at 22 hPa to 4.8 K at 0.46 hPa for temperature and from 200 m (equivalent log pressure) at 10 hPa to 300 m at 0.1 hPa. Temperature accuracy is limited mainly by uncertainty in instrument characterization, and tangent-point pressure accuracy is limited mainly by the accuracy of spectroscopic parameters. Precisions are around 1 K and 100 m. Comparisons are presented among temperatures from MLS, the National Meteorological Center (NMC) stratospheric analysis and lidar stations at Table Mountain, California, Observatory of Haute Provence (OHP), France, and Goddard Spaceflight Center, Maryland. MLS temperatures tend to be 1-2 K lower than NMC and lidar, but MLS is often 5 - 10 K lower than NMC in the winter at high latitudes, especially within the northern hemisphere vortex. Winter MLS and OHP (44 deg N) lidar temperatures generally agree and tend to be lower than NMC. Problems with Version 3 MLS temperatures and tangent-point pressures are identified, but the high precision of MLS radiances will allow improvements with better algorithms planned for the future.

Fishbein, E. F.↗
DOE OSTI2025

Probing the Effect of Electrode Thermodynamics on Reaction Heterogeneity in Thick Battery Electrodes

Thick electrodes present a viable strategy for enhancing energy density and reducing manufacturing costs of lithium-ion batteries. However, reaction heterogeneity during cycling compromises their rate capability and cycle life. While this nonuniformity is commonly attributed to sluggish charge transport, it is demonstrated here that the thermodynamic properties of the electrode material play an equally critical role. Through combined X-ray fluorescence microscopy and absorption near-edge structure spectroscopy, reaction distributions in LiFePO 4 (LFP) and LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC) thick electrodes with matched porosity and tortuosity are compared. LFP electrodes develop pronounced depth-oriented state-of-charge (SOC) gradients that worsen with increasing discharge rates, whereas NMC maintains much more uniform SOC distributions under such conditions. This difference originates from their distinct SOC dependence of equilibrium potentials and is quantifiable through a dimensionless “reaction uniformity” number. Intriguingly, LFP thick electrodes also exhibit lateral SOC variations that strengthen during slow discharge. In conclusion, the enhanced reaction uniformity in NMC correlates with better active material utilization and slower capacity fade than LFP, highlighting electrode thermodynamics as a key design consideration for thick electrodes.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Selectively extracting lithium from single and mixed cathode materials

With the burgeoning reliance on lithium-ion batteries for sustainable energy solutions and electric transportation, the environmental and resource management associated with battery disposal are increasingly critical. Addressing these challenges necessitates innovative recycling techniques that recover valuable battery components, particularly lithium. This research introduces a universal, eco-friendly approach tailored for the efficient selective extraction of lithium from both single and mixed cathode materials, achieving impressive selective leaching efficiencies of lithium (99.51 % for LFP, 90 % for NMC, and 97.24 % for mixed cathode). Surprisingly, leaching efficiency of lithium from NMC can be significantly improved by introducing LFP since LFP can remove the dense transition-metal salts on the surface of NMC. The extracted lithium is recovered as lithium carbonate with battery-grade purity. This study also highlights the reuse of formic acid and the adoption of oxygen as an oxidizing agent to prevent wastewater production. Therefore, this method provides a robust foundation for sustainable lithium battery recycling.

economically and environmentally feasible↗
DOE OSTI2025

Characterizing Hazardous Gases from NMC811 Materials and Coin Cells with TGA and Tube-Furnace FTIR-MS Evolved-Gas-Analysis

Abuse testing is useful for informing the risks of different battery chemistries but has been limited to larger formats. This paper conducted thermal abuse tests at the smaller coin cell level to determine its relevance in specifying vent gas flammability and toxicity. A nitrogen purge carried the evolved gases into a parallel Fourier-transform infrared spectrometer (FTIR) and a mass spectrometer (MS) downstream of the tube furnace. The experimental system was validated by comparing evolved gas data for single components between the tube furnace system and a thermogravimetric analysis (TGA) instrument. Multiple samples were tested during validation, including CaCO3, electrolyte, delithiated NMC 811 cathode, and lithiated graphite anode. Temperature-resolved gas evolution of HF, CO2, CO, H2, and hydrocarbons from isolated components helped to characterize the emission sources. A previously unreported H2 generation mechanism was found. It was shown that the reduced NMC cathode acts as a catalyst to crack polypropylene-decomposed hydrocarbons into H2 at around 450 degrees C. It was also shown, while studying LiPF6 thermal decomposition, that using the tube furnace with a coin cell casing as the sample holder has some advantages for evolved-gas analysis of environmentally sensitive samples relative to testing in TGA instruments. After validation with single components, a fully charged NMC 811 coin cell was failed in the tube furnace. The measured evolved gases were found to be a combination of the species measured from the single component tests. H2 formation related to the reduced cathode was found to have greater abundance than H2 formed from the anode. Hydrogen fluoride emission factors and diethyl carbonate conversion emission factors assist in understanding the gaseous hazards for larger format cells.

25 ENERGY STORAGE↗
DOE OSTI2026

Daily operational impacts on battery degradation in heavy-duty electric drayage trucks

Battery aging is a critical factor influencing the performance, longevity, and cost of ownership of battery electric trucks (BETs). This paper presents a comprehensive evaluation of battery aging for two Li-ion battery chemistries, Nickel-Manganese-Cobalt (NMC) and Lithium-Iron-Phosphate (LFP), accounting for both cycling and calendar aging. In contrast to traditional methods that rely on simplified linear degradation models based on manufacturer-provided data, this study employs semi-empirical aging models calibrated to experimentally collected data. The models are integrated into a detailed vehicle simulation environment, enabling a comprehensive assessment of battery degradation under realistic operating conditions. A case study focusing on heavy-duty electric drayage truck operations in the Port of Savannah, GA, is presented to illustrate the impact on battery pack lifespan of: seasonal variations, daily operational activities, charging strategies, and battery storage conditions. The results illuminate the significance of the battery pack’s state of charge during stationary periods, such as overnight storage or weekend parking, on battery degradation and its potential implications for long-term vehicle viability. Additionally, the study explores how different operational and environmental factors affect battery degradation, offering critical insights into best battery charging and storage practices. Our results demonstrate that LFP outperforms NMC in terms of years of useful life; however, by utilizing charging strategies that minimize the amount of time the battery spends resting at high levels of state-of-charge, the lifespan of the battery pack that uses NMC can nonetheless be increased by more than a factor of two.

25 ENERGY STORAGE↗
DOE OSTI2024

Evaluation of neutron dosimetry capabilities with the MC-15 portable multiplicity counter

This work proposes a preliminary neutron dose rate estimation method for a neutron multiplicity detector through measurement- and simulation-based analyses. Uncharacterized neutron-emitting sources may be encountered in situations such as nuclear emergency response, safeguards, and treaty verification. These circumstances may present irradiation risk to personnel conducting field assay, search, and characterization measurements. It is therefore of interest to provide a field neutron dosimetry capability with the existing neutron multiplicity counting (NMC) capabilities. To date, no commercially-available neutron detection systems are capable of both accurate NMC and real-time neutron dosimetry. This work will focus on estimating dose rate using input from a single fielded NMC called the MC-15. The energy-dependent neutron detection efficiency response of the MC-15 was quantified in monoenergetic neutron simulations and evaluated in response to two neutron-emitting sources and to a polyethylene-moderated source. The results were compared to existing neutron dosimeters and established the proof of concept for further investigation of the MC-15 for dose estimation. Measurement results were also replicated in simulations; additional simulations were then conducted to expand upon the limited empirical data. The initial empirical results provided a conversion factor appropriate for use when measuring 252 Cf neutrons that is independent of polyethylene shielding presence and thickness. The simulated data sets were then used to evaluate a fit equation allowing estimation of the neutron dose rate for less restricted geometric configurations and dependent only on the distance between the source and the detector. Additionally, the energy dependence of the efficiency response indicates that further empirical evaluations could provide energy-dependent conversion factors for broader neutron dosimetry capabilities with a wider range of neutron-emitting sources.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Interfacial Chemistry Involved in Selective Separation of NMC/LMO and LCO/LMO Binary Cathode Materials by Froth Flotation Using Oleic Acid

The variability in cathode compositions within recycled lithium-ion battery (LIB) feedstocks poses a significant challenge to efficient downstream refining processes. This study demonstrates the feasibility of using froth flotation with oleic acid as a collector to selectively separate lithium nickel-manganese-cobalt oxide (NMC) and lithium cobalt oxide (LCO) from lithium manganese oxide (LMO) materials. Laboratory-scale flotation tests achieved an 80% separation efficiency in a single stage, producing a froth product with >90% purity of NMC/LCO at approximately 90% yield. Concurrently, the LMO materials were enriched in the sink product with ∼90% purity and ∼90% yield. This approach was further validated using recycled cathode materials, confirming its applicability to realistic feedstocks. The underlying mechanism governing the selective separation of NMC/LCO from LMO was investigated using ζ-potential measurements, contact angle measurements, bubble-particle attachment experiments, and X-ray photoelectron spectroscopy (XPS) analysis. Both contact angle and bubble-particle attachment results confirmed that oleic acid adsorption rendered NMC and LCO surfaces hydrophobic, thereby enhancing flotation recovery. At pH 5, oleic acid adsorbed preferentially onto NMC and LCO surfaces via electrostatic interactions, while exhibiting minimal adsorption on LMO surfaces. However, separation efficiency deteriorated at higher pH, which was attributed to the co-flotation of LMO materials caused by oleate chemisorption on MnOH + species. This work establishes froth flotation as a viable cathode/cathode separation strategy, providing a low-cost, scalable pathway to preconcentrate and enrich nickel-rich and cobalt-rich cathode active materials from incompatible cathode chemistries for direct recycling or hydrometallurgical processing. Furthermore, this study reveals, for the first time, the mechanism of oleate adsorption on the surface of different cathode materials.

PH↗
DOE OSTI2025

Ni-Rich Li[Ni x MnyCo 1– x – y ]O 2 Single Crystals as Superior Fast Charge Cathodes for Lithium-Ion Batteries

The utilization of single-crystal (SC) Li[Ni x MnyCo 1-x-y ]O 2 (NMC) cathodes has facilitated unparalleled performance in commercial high-energy lithium-ion batteries (LIBs). In the current study, we evaluate the application of SC cathodes in fast charge (FC)-LIBs where particle cracking is a predominant failure mechanism. Ni-rich SC-NMC samples with various compositions, sizes, and shapes are synthesized and investigated for their influence on FC performance. We reveal the necessity of utilizing smaller SCs (<1 μm) as larger sizes (>2 μm) experience significant particle-level lithium concentration gradients under FC conditions. To improve lithium transport and minimize side reactivities, we strategically expose the (104) crystal facets on the surface. Exceptional performance was observed on an optimized SC-LiNi 0.80 Mn 0.05 Co 0.15 O 2 , delivering a discharge capacity of 165 mAh/g even after 150 cycles at 6C charge. Our study not only demonstrates the promise of SC-NMC but also provides the key insights for the design and optimization of advanced cathodes for FC-LIBs.

25 ENERGY STORAGE↗
DOE OSTI2024

Decoupling first-cycle capacity loss mechanisms in sulfide solid-state batteries

Solid-state batteries (SSBs) promise more energy-dense storage than liquid electrolyte lithium-ion batteries (LIBs). However, first-cycle capacity loss is higher in SSBs than in LIBs due to interfacial reactions. The chemical evolution of key interfaces in SSBs has been extensively characterized. Electrochemically, however, we lack a versatile strategy for quantifying the reversibility of solid electrolyte (SE) redox for established and next-generation SSB electrolytes. In this work, we perform tailored electrochemical tests and operando X-ray diffraction to disentangle reversible and irreversible sources of capacity loss in positive electrodes composed of Li 6 PS 5 Cl SE, Li(Ni 0.5 Mn 0.3 Co 0.2 )O 2 (NMC), and carbon conductive additives. We leverage an atypically low voltage cutoff (2.0 V vs. Li/Li + ) to quantify the reversibility of SE redox. Using slow (5.5 mA g NMC −1 ) cycling paired with >100 h low-voltage holds, our cells achieve a surprising 96.2% first-cycle coulombic efficiency, which is higher than previously reported (mean: 72%, maximum: 91.6% across surveyed literature). We clarify that sluggish NMC relithiation kinetics have been historically mistaken for permanently irreversible capacity loss. In conclusion, through systematic decoupling of loss mechanisms, we uncover the unexpected reversibility of SE redox and isolate the major contributors to capacity loss, outlining a strategy for accurate assessment of next-generation SE materials and interface modifications.

54 ENVIRONMENTAL SCIENCES↗