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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Comprehensive Insights into Nucleation, Autocatalytic Growth, and Stripping Efficiency for Lithium Plating in Full Cells

Synchrotron high-energy X-ray diffraction is used to enable nondestructive detection and quantification of heterogeneous lithium plating in working batteries. In this study a LiNi 0.5 Mn 0.3 Co 0.2 O 2 /graphite pouch cell was operated under 6C fast-charge rate for greater than 1200 cycles. The magnitude and spatial distribution of lithium plating, lithium stripping, and the effect of metallic lithium deposition on lithium intercalation into graphite were quantified. Fully intercalated graphite (LiC 6 ) was detected after discharge with a lateral distribution closely correlated with lithium plating, which can be used as a higher-sensitivity indicator for lithium plating. Over an extended cycle life, the overall metallic lithium concentration followed a sigmoidal curve indicating two-stage continuous nucleation and autocatalytic growth. The lithium stripping efficiency underwent an exponential decay as a function of cycle life as the buildup of metallic lithium hindered the efficient dissolution back into the electrolyte. The findings provide direct insights into the characteristics of lithium plating and stripping under realistic fast-charge conditions.

25 ENERGY STORAGE↗
DOE OSTI2022

Multi-layer anodes for high-current applications

In this work, we present a combination of experiments and modeling of a two-layer anode structure designed by EnPower Inc. for high-energy and fast-charge capabilities. The anode consists of lower porosity near the current collector and higher porosity near the separator with comparable active materials in both regions. A pseudo-two-dimensional electrochemical–thermal model was designed to represent the performance of this electrode. Simulations, consistent with experiments, show superior ion transport and lithiation in the multi-layer anode (MLA) compared to a conventional single-layer anode (SLA). Surprisingly, this improved transport in MLA manifests as enhanced cathode performance during high-rate discharge and this, in turn, provides higher energy density for MLA. Similarly, during fast charge, less irreversible lithium is deposited due to this improved transport in MLA, and hence MLA exhibits less capacity fade compared to SLA. Polarization analysis demonstrates marginally lower cumulative overpotential for MLA in different case studies; however, MLA cells maintain a significantly higher capacity in the same conditions and have more than double the cycle life. Further, this means despite the apparently limited polarization benefit provided by MLA; the MLA structure can more reliably be employed in cell designs. Additional design changes are also analyzed by means of the model.

25 ENERGY STORAGE↗
DOE OSTI2022

High Rate Sodium Storage Mechanisms in Non-Graphitic Carbons

Lithium ion batteries (LIBs) have been commercialized as electrical energy storage devices in many common applications. Unlike lithium, sodium (Na) is both easy to find and is inexpensive, with wide supplies of precursors available on land and from salt water through desalination. Hybrid sodium ion capacitors and dedicated high power sodium ion batteries (NIBs) are emerging extremely fast charge time systems that employ two-dimensional carbon electrodes to store the charge. They are finding use in regenerative braking energy storage for cars, busses and public rail. To date, fast charge storage mechanisms in two-dimensional carbons are not understood. This combined experimental – simulation research will provide new fundamental insight into these unexplored but essential aspects of Na storage. A range of carbon structures and chemistries will be analyzed using advanced methods, including neutron scattering and first principles simulation. This work will yield the first new series of scientific insights on where in the carbon structure the Na ions reside and on their transport characteristics.

25 ENERGY STORAGE↗
DOE OSTI2023

Li iontronics in single-crystalline T-Nb2O5 thin films with vertical ionic transport channels

Abstract The niobium oxide polymorph T -Nb 2 O 5 has been extensively investigated in its bulk form especially for applications in fast-charging batteries and electrochemical (pseudo)capacitors. Its crystal structure, which has two-dimensional (2D) layers with very low steric hindrance, allows for fast Li-ion migration. However, since its discovery in 1941, the growth of single-crystalline thin films and its electronic applications have not yet been realized, probably due to its large orthorhombic unit cell along with the existence of many polymorphs. Here we demonstrate the epitaxial growth of single-crystalline T -Nb 2 O 5 thin films, critically with the ionic transport channels oriented perpendicular to the film’s surface. These vertical 2D channels enable fast Li-ion migration, which we show gives rise to a colossal insulator–metal transition, where the resistivity drops by 11 orders of magnitude due to the population of the initially empty Nb 4 d 0 states by electrons. Moreover, we reveal multiple unexplored phase transitions with distinct crystal and electronic structures over a wide range of Li-ion concentrations by comprehensive in situ experiments and theoretical calculations, which allow for the reversible and repeatable manipulation of these phases and their distinct electronic properties. This work paves the way for the exploration of novel thin films with ionic channels and their potential applications.

Chemistry↗
DOE OSTI2022

Research on high power, doped titanium-niobium oxide anodes

The main objective of this project is to synthesize titanium niobium oxide (TNO) that has a nanoporous structure with porous channels for rapid lithium diffusion, enabling extreme fast charging (XFC). The focus of this project is to improve the electronic conductivity and ion diffusion coefficient in TNO to achieve high capacities under extreme fast charge conditions. In addition, electrolytes with additives will be formulated to promote stable interphase formation on the NMC cathode surface to improve long cycling stability.

25 ENERGY STORAGE↗
DOE OSTI2025

Extending the operating range and safety of Li-ion batteries with new fluorinated electrolytes

Orbia Fluor and Energy Materials (formerly Koura) has successfully developed a new class of fluorinated electrolyte solvents for lithium-ion batteries. In collaboration with Silatronix and Argonne National Laboratory, the team synthesized and screened over 20 novel fluorinated compounds, optimizing formulations that significantly enhance battery performance across critical metrics such as thermal stability, fast-charging capability, and cycling life at extreme temperatures. Electrolytes with fluorinated molecules developed in this program demonstrated superior performance in 2 Ah pouch cells, achieving over 1000 fast-charge cycles with minimal capacity fade, outperforming conventional carbonate-based electrolytes. Mechanistic studies revealed that the fluorinated electrolytes promote a stable solid electrolyte interphase at the anode and reduce cathode metal dissolution, contributing to improved long-term stability. These advancements mark a significant step toward safer, more efficient batteries for applications ranging from grid storage to defense systems to electric vehicles. We gratefully acknowledge DOE’s financial support through contract DE-EE0009642.

25 ENERGY STORAGE↗
DOE OSTI2024

An overview of various critical aspects of low-cobalt/cobalt-free Li-ion battery cathodes

Cathodes of lithium-ion batteries (LIBs) significantly impact the environmental footprint, cost, and energy performance of the battery-pack. Hence, sustainable production of Li-ion battery cathodes is critically required for ensuring cost-effectiveness, environmental benignity, consumer friendliness, and social justice. Battery chemistry largely determines individual cell performance as well as the battery pack cost and life cycle greenhouse gas emission. Continuous manufacturing platforms improve production efficiency in terms of product yield, quality and cost. Spent-battery recycling ensures the circular economy of critical elements that are required for cathode production. Innovations in fast-charging LIBs are particularly promising for sustainable e-mobility with a reduced carbon footprint. This article provides an overview of these research directions, emphasizing strategies for low-cobalt cathode development, recycling processes, continuous production and improvement in fast-charging capability.

25 ENERGY STORAGE↗
DOE OSTI2025

Valuation of Anode Materials for High-Performance Lithium Batteries: From Graphite to Lithium Metal and Beyond

Lithium-ion batteries have revolutionized energy storage, yet advanced technologies such as electric vehicles and eVTOLs demand even higher performance and safety. Anodes, the negative electrodes, are crucial in enhancing batteries’ safety, lifespan, and fast-charging capabilities. This review paper comprehensively evaluates the progression of anode materials from traditional graphite to advanced anodes like lithium metal. Graphite anodes, with a capacity of 372 mAh g −1 , enabled the first commercial lithium-ion batteries, but future applications require higher energy densities and fast-charging capabilities. Emerging anode materials, including alloying, and conversion types, as well as lithium metal, offer significantly higher capacities, with lithium metal offering a theoretical capacity of 3 860 mAh g −1 . However, these advanced anodes face challenges such as volume expansion, high surface reactivity, sluggish Li+ kinetics, and unstable lithium deposition morphologies. Here, this review critically examines the electrochemical performance, interfacial properties, mechanical attributes, and stability issues of various anode materials. It further discusses solid electrolyte interphase (SEI) formation, strategies for enhancing interface stability, and the requirements of anodes for solid-state batteries. Additionally, the review explores potential solutions for limitations with each anode type, highlights innovative anode-free architectures, and evaluates the current and future trends of battery anode industries. Ultimately, this paper aims to guide the development of high-performance anode materials, paving the way for the next generation of efficient, reliable lithium batteries.

Alloying anodes↗
DOE OSTI2021

Selenium infiltrated hierarchical hollow carbon spheres display rapid kinetics and extended cycling as lithium metal battery (LMB) cathodes

Lithium metal–selenium (Li–Se) batteries offer high volumetric energy but are limited in their cycling life and fast charge characteristics. Here a facile approach is demonstrated to synthesize hierarchically porous hollow carbon spheres that host Se (Se@HHCS) and allow for state-of-the-art electrochemical performance in a standard carbonate electrolyte (1 M LiPF 6 in 1:1 EC:DEC). The Se@HHCS electrodes display among the most favorable fast charge and cycling behavior reported. For example, they deliver specific capacities of 442 and 357 mA h g -1 after 1500 and 2000 cycles at 5C and 10C, respectively. At 2C, Se@HHCS delivers 558 mA h g -1 after 500 cycles, with cycling coulombic efficiency of 99.9%. Post-mortem microstructural analysis indicates that the structures remain intact during extended cycling. Per GITT analysis, Se@HHCS possesses significantly higher diffusion coefficients in both lithiation and delithiation processes as compared to the baseline. Furthermore, the superior performance of Se@HHCS is directly linked to its macroscopic and nanoscale pore structure: the hollow carbon sphere morphology as well as the remnant open nanoporosity accommodates the 69% volume expansion of the Li to Li 2 Se transformation, with the nanopores also providing a complementary fast ion diffusion path.

25 ENERGY STORAGE↗
DOE OSTI2025

Using Light to Enhance Charge Transfer in Battery Materials: Increasing Charging Rates in LiNi 0.5 Mn 1.5 O 4

Electrochemical, spectroscopic, and computational studies on the interplay between light perturbation and coupled electron and Li-ion transfer in LiNi 0.5 Mn 1.5 O 4 (LNMO) cathodes identify that photon perturbation moves the system out of equilibrium, increases entropy, lowers the impedance of the battery, and increases the charging capacity by at least 15% during fast charging by promoting the oxidation of Ni 3+ to Ni 4+ . Here, the correlation with density functional theory calculations points out that oxidation of Ni 3+ faces a 30% higher barrier compared with the oxidation of Ni 2+ and hence exhibits greater responses to the energy transferred from photons. Structural analysis elucidates that photon energy also assists the transition of LNMO from the Jahn−Teller distorted asymmetric lattice with Ni 3+ to the nondistorted Ni 4+ . Synergistically, photons energize the removal of electrons from Ni 3+ and create photoinduced Ni 4+ intermediates, followed by the removal of Li + with almost two times faster diffusion rates.

5 V spinel↗
DOE OSTI2022

Atomistic modeling of LiF microstructure ionic conductivity and its influence on nucleation and plating

We report the formation and degradation of the solid electrolyte interphase (SEI) and its underlying transport properties play an essential role in the overall performance of lithium-ion batteries. This paper presents classical molecular dynamics studies on polycrystalline inorganic lithium fluoride (LiF) layers to model and predict the SEI transport properties. The ionic conductivity is obtained from the lithium-ion diffusivity in polycrystalline structures of LiF using the Nernst-Einstein relation. The predicted molecular dynamics data are used in a continuum scale phase-field model to evaluate the plating kinetics under fast charging conditions. The analysis emphasizes that the SEI ionic conductivity properties impact the plating dynamics, where SEI's low ion conductivity value is prone to large plating and subsequent capacity degradation. The combination of atomic and continuum scale studies shown herein lays a foundation to tune in SEI transport properties to decrease the amount of lithium plating and improve the performance of fast-charging batteries.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Binder-Free Graphite Anodes for Next-Generation High-Performance Lithium-Ion Batteries

High-energy density anodes are crucial for next-generation lithium-ion batteries (LIBs) particularly for electric vehicle (EV) applications. Sluggish lithium-diffusion kinetics coupled with conventional anode fabrication processes containing polymeric binders hinder fast-charging capabilities and high-energy density of graphite. Herein, we introduce a binder-free graphite anode fabrication strategy using the electrospinning technique that contains ~2.41% carbon nanotubes (CNTs). Our strategy relies on the formation of an interconnecting conductive CNT network coupled with an ultrathin N-doped carbon coating on graphite particles from sacrificial binders. This combination enhances both structural integrity and electrical conductivity and, in turn, improves fast-charging capabilities and high energy density of LIBs. The binder-free graphite anode achieves ~335.0 mAh g–1 capacity at C/3 rate over 400 cycles with capacity retention of >95% and average Coulombic efficiencies >99.95%. These promising results suggest that the binder-free anode fabrication with a multifunctional design approach could elevate the energy-density limits of the graphite anodes, solving high-energy density requirements of EVs, and potentially provides a path forward for the development of economically feasible energy storage systems for various applications.

Ozcan, Muca [ORNL] (ORCID:0000000320020474)↗
DOE OSTI2022

Proton Storage in Metallic H 1.75 MoO 3 Nanobelts through the Grotthuss Mechanism

The proton, as the cationic form of the lightest element-H, is regarded as most ideal charge carrier in "rocking chair " batteries. However, current research on proton batteries is still at its infancy, and they usually deliver low capacity and suffer from severe acidic corrosion. In this work, electrochemically activated metallic H 1.75 MoO 3 nanobelts are developed as a stable electrode for proton storage. The electrochemically pre-intercalated protons not only bond directly with the terminal O 3 site via strong O-H bonds but also interact with the oxygens within the adjacent layers through hydrogen bonding, forming a hydrogen-bonding network in H 1.75 MoO 3 nanobelts and enabling a diffusion-free Grotthuss mechanism as a result of its ultralow activation energy of ~0.02 eV. To the best of our knowledge, this is the first reported inorganic electrode exhibiting Grotthuss mechanism-based proton storage. Additionally, the proton intercalation into MoO 3 with formation of H 1.75 MoO 3 induces strong Jahn-Teller electron-phonon coupling, rendering a metallic state. As a consequence, the H 1.75 MoO 3 shows an outstanding fast charging performance and maintains a capacity of 111 mAh/g at 2500 C, largely outperforming the state-of-art battery electrodes. More importantly, a symmetric proton ion full cell based on H 1.75 MoO 3 was assembled and delivered an energy density of 14.7 Wh/kg at an ultrahigh power density of 12.7 kW/kg, which outperforms those of fast charging supercapacitors and lead-acid batteries.

25 ENERGY STORAGE↗
DOE OSTI2023

Origin of Phase Separation in Ni-Rich Layered Oxide Cathode Materials During Electrochemical Cycling

In intercalation materials, the kinetics and uniformity of mass transport across the nanocrystalline domains dictate the structural reversibility and transport capability at the macroscopic level. (De)intercalation-induced interlayer disintegrations exhibit anisotropic crystallite size change. Due to the anisotropic mass transport mechanism, separated phases are inherently crystallographically oriented. One such material is LiNi $1–x–y$ Mn $x$ Co $y$ O 2 , which plays a pivotal role in advanced Li-ion batteries but suffers from severe phase inhomogeneities under fast charge or electrochemical aging. Here, using operando synchrotron techniques, we probe the mechanistic origins of the compositional and orientational-dependent phase separations during the electrochemical cycling of LiNi 0.8 Mn 0.1 Co 0.1 O 2 by comprehensive analysis of both in-plane and out-of-plane reflections. In the H2/H3 phase regime, in-plane domain propagation occurs due to increased covalency despite the severe decay of interlayer crystallographic order, resulting in the change of crystalline domain shape from 3D spheres to two-dimensional nanosheets. The crystallographically selective XRD line splitting is linked to the geometry of the facets as mass transfers along the ab plane. In conclusion, this work provides mechanistic insights into crystallographic orientation-dependent phase inhomogeneity under fast charge and extended cycling.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electrochemical-driven green recovery of lithium, graphite and cathode from lithium-ion batteries using water

The expected exponential increase in consumption of lithium-ion batteries (LIBs) would pose a unique challenge to the availability of near-critical resources like lithium and graphite in the upcoming decade. In this work, we present a lithium recovery process that utilizes a degradation mechanism, i.e., lithium plating, as a tool to concentrate metallic lithium at the anode/separator interface for convenient extraction at room temperature – using only water. Electrochemical characterization of fast charged (1–6 C) LIBs yielded a maximum capacity fade of 50% over ten cycles. The lithium plating was confirmed via voltage plateau analysis, coulombic efficiency, and DC resistance measurements. A maximum lithium plating condition was observed to exist between 4C and 5C, thereby limiting the energy consumption in the extraction process. Post-mortem film thickness measurement showed an incrementing film deposition with a maximum of 35 µm thickness. SEM and XPS analysis confirmed increasing concentration of a dense dendritic metallic lithium deposition on the anode/separator interface with C-rate. A green recovery process was adopted to extract the concentrated metallic lithium using distilled water. The lithium from the plated film, solid/electrolyte interface (SEI), electrolyte, anode, and cathode, was extracted as salts. A 37% improvement in lithium recoverability was achieved with fast charging under ambient conditions. XPS analysis showed ~92% of lithium yield with no residual lithium in the graphite. In addition, the battery-grade graphite was recovered with 97% purity after heat treatment of the washed anode film, and concentrated transition metals oxides in the cathode to 93% purity for convenient extraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

High-Power Lithium Metal Batteries Enabled by High-Concentration Acetonitrile-Based Electrolytes with Vinylene Carbonate Additive

To enable next-generation high power, high-energy-density lithium (Li) metal batteries (LMBs), an electrolyte possessing both high Li Coulombic efficiency (CE) at high-rate and good anodic stability on cathodes is critical. Acetonitrile (AN) is a well-known organic solvent for high anodic stability and high ionic conductivity, yet its application in LMBs is limited due to its poor compatibility with Li metal anode even at high salt concentration conditions. Here, we developed a highly concentrated AN-based electrolyte with vinylene carbonate (VC) additive to suppress Li+ depletion at high current densities. Addition of VC in the AN-based electrolyte leads to the formation of a polycarbonate-based solid electrolyte interphase which minimizes Li corrosion and leads to very high Li CE of up to 99.1% at a current density of 0.2 mA cm-2. Using such an electrolyte, fast charging of Li||NMC333 cells has been realized at a high current density of 3.6 mA cm-2, and stable cycling of Li||NMC622 cells with a high cathode loading of 4 mAh cm-2 has also been demonstrated.

Peng, Zhe↗
DOE OSTI2024

Promoting electrochemical rates by concurrent ionic-electronic conductivity enhancement in high mass loading cathode electrode

Enhancing the fast charging capacity of thick electrodes with high mass loading is imperative in expediting the widespread adoption of electric vehicles. Nonetheless, the insufficient charge transfer kinetics of thick electrodes hinder the movement of effective electrons and ions, hence diminishing capacity at high current rates. In this work, we applied sustainable and biodegradable cellulose nanocrystals (CNCs) as electrode additives. It is the first time to simultaneously improve the electronic conductivity by optimizing the carbon dispersion and establishing electron transfer networks, as well as boosting the ionic conductivity of electrodes by shortening the ion transfer pathway. Specifically, the LiNi 0.6 Mn 0.2 Co 0.2 O 2 electrodes incorporating 1% dual functional CNCs additive exhibit improved effective electrical conductivity from 0.11 to 0.16 S/m and risen effective ionic conductivity from 0.36 to 0.62 S/m, in comparison to counterpart electrodes without CNCs. Therefore, the 1% CNC electrode with a high mass loading of 27.0 mg/cm 2 delivers a discharge capacity of 128 mAh/g at 1 C, which is superior to that of the CNC-free electrodes (95 mAh/g). In short, this study presents a novel environmentally friendly, economically viable, and dual-functional electrode additive that enhances both electronic and ionic conductivities with the aim of facilitating the widespread adoption of fast-charging high mass loading electrodes.

25 ENERGY STORAGE↗
DOE OSTI2021

EMOS (Energy Management Optimization System) [SWR-21-46]

EMOS software performs a real-time hierarchal optimal control for energy systems like multi-port electric vehicles charging site with distributed energy resources (DERs) and energy storage systems (ESSs). It gathers information in real-time from electric vehicles, power grid, and DERs, solves a multi-objective energy management optimization problem, and output setpoint for chargers, ESS converters, DERs converters, and grid converters. The software incorporates a novel integration of two control tasks: a) An Energy Management Optimization (EMO), which is the brain of EMOS controller that gathers information in real-time from EVs [e.g., battery size, state-of-charge (SOC), desired SOC, and charge acceptance curve], grid (e.g., electricity price, allowed feeder capacity, ramp rate limit, and reactive power), and DERs (e.g., prediction for solar generation for PV systems). It solves a control optimization problem in real-time to find optimal setpoint for ESSs power dispatch, EVs charging rate, and grid inverters. The objectives are to (1) minimize the charging cost considering grid energy, demand charges, and battery energy, (2) minimize charging time to meet fast charging criterion, (3) keep high energy level on ESSs at the end of an operating period, while satisfying constraints related to grid, EVs, and power converters. b) Real-Time Energy Management System (RT-EMS) is a rule-based algorithm that has faster response than EMO. It receives optimal setpoint from EMO and actual measurements from the system and modify the setpoint to compensate for any fast disturbance in the system, until a new optimum solution is received. Fast disturbances may include vehicle connect/disconnect, unpredicted variation in DERs profiles, variation in grid voltage, errors in PV generation prediction, and others. In addition, RT-EMS regulates voltage at point of common coupling (PCC) by managing reactive power of grid converters.

Mohamed, Ahmed↗