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Results for “lithium storage mechanism”

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

Performance degradation due to anodic failure mechanisms in lithium-ion batteries

Here, we report a mechano-chemical model for anodic degradation during fast-charging of nickel-manganese-cobalt (NMC)/graphite (C) cell due to SEI growth, lithium plating/stripping, dead lithium storage, and film fracture of composite SEI and plated lithium film. Degradation of the battery is analyzed for a range of charging rates from 1 to 6 C-rates, and the influence of plating mechanisms – lithium plating and dead lithium deposition and recovery during stripping – on the film resistance of the anode are accounted for in the model. Dynamic evolution of the interfacial properties is modeled using rule-of-mixture approach. Model predictions of plating associated stress fields are used to compute critical energy release rate for film cracking. The results indicate an increased tendency of fracture for thinner SEI film with lithium plating at higher charging rates. The process of reforming the cracked film absorbs a significant portion of the electrode current thereby reducing the cell capacity and plating efficiency. The mechano-chemical model provides an extensive analytical framework for understanding the synergistic coupling of anodic degradation mechanisms, prognosticating conditions of SEI failure, and evaluating the capacity fade and efficiency of lithium-ion battery.

25 ENERGY STORAGE↗
DOE OSTI2020

A Garnet-Type Solid-Electrolyte-Based Molten Lithium–Molybdenum–Iron(II) Chloride Battery with Advanced Reaction Mechanism

Solid-electrolyte-based molten-metal batteries have attracted considerable attention for grid-scale energy storage. Although ZEBRA batteries are considered one of the promising candidates, they still have the potential concern of metal particle growth and ion exchange with the β”-Al 2 O 3 electrolyte. Herein, a Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 solid-electrolyte-based molten lithium–molybdenum–iron(II) chloride battery (denoted as Li–Mo–FeCl 2 ) operated at temperature of 250 °C, comprising a mixture of Fe and LiCl cathode materials, a Li anode, a garnet-type Li-ion ceramic electrolyte, and Mo additive, is designed to overcome these obstacles. Different from conventional battery reaction mechanisms, this battery revolutionarily synchronizes the reversible Fe–Mo alloying–dealloying reactions with the delithiation–lithiation processes, meaning that the porous Mo framework derived from Fe–Mo alloy simultaneously suppresses the growth of pure Fe particles. By adopting a Li anode and a Li-ion ceramic electrolyte, the corrosion problem between the cathode and the solid electrolyte is overcome. With similar battery cost ($12 kWh –1 ), the theoretical energy density of Li–Mo–FeCl 2 battery surpasses that of a Na–FeCl 2 ZEBRA battery over 25%, to 576 Wh kg –1 and 2216 Wh L –1 , respectively. Experimental results further prove this cell has excellent cycling performance (472 mAh g LiCl –1 after 300 cycles, 50 mg active material) and strong tolerance against the overcharge–overdischarge (3–1.6 V) and freezing–thawing (25–250 °C) incidents.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Controlling MoO 2 and MoO 3 phases in MoO x /CNTs nanocomposites and their application to anode materials for lithium-ion batteries and capacitors

Molybdenum oxides (MoO 2 and MoO 3 ) are attractive anode materials for Li- and Na- ion batteries. Although there have been extensive studies on them individually, systematic and comparative studies are still lacking. Here, we demonstrate a facile and straightforward synthesis method to control the phase and oxidation state in the MoO x /CNTs nanocomposites via hydrothermal reaction followed by heat-treatment. By changing the gas atmosphere during the annealing process, well-dispersed MoO 2 /CNTs and MoO 3 /CNTs nanocomposites are formed without altering their overall morphology. This strategy enables us to investigate the true structure-property correlation of MoO x /CNTs nanocomposites by comparing the structure and electrochemical properties of MoO 2 /CNTs and MoO 3 /CNTs. When tested as anode materials for lithium-ion batteries, both HT-MoO 2&3 /CNTs electrodes show much-improved cycling stability and rate performance compared to the rod-shaped bulk MoO 3 electrode. In situ Mo K-edge x-ray absorption spectroscopy (XAS) has been further employed to compare and elucidate Li + storage mechanisms of both electrodes. When employed to the negative electrode of a high-power lithium-ion capacitor (LIC), the LIC full-cell composed of HT-MoO 3 /CNTs negative and activated carbon positive electrodes demonstrates impressive energy and power densities (~ 90 Wh kg –1 with 2000 W kg –1 ) and excellent cycling stability (96.8 % capacity retention after 300 cycles), revealing the versatility of the MoO x /CNTs electrodes in energy applications.

25 ENERGY STORAGE↗
DOE OSTI2022

Recent Advances in Conduction Mechanisms, Synthesis Methods, and Improvement Strategies for Li 1+ x Al x Ti 2-x (PO 4 ) 3 Solid Electrolyte for All-Solid-State Lithium Batteries

With the increasing use of Li batteries for storage, their safety issues and energy densities are attracting considerable attention. Recently, replacing liquid organic electrolytes with solid-state electrolytes (SSE) has been hailed as the key to developing safe and high-energy-density Li batteries. In particular, Li 1+ x Al x Ti 2- x (PO4) 3 (LATP) has been identified as a very attractive SSE for Li batteries due to its excellent electrochemical stability, low production costs, and good chemical compatibility. However, interfacial reactions with electrodes and poor thermal stability at high temperatures severely restrict the practical use of LATP in solid-state batteries (SSB). Herein, a systematic review of recent advances in LATP for SSBs is provided. Here, this review starts with a brief introduction to the development history of LATP and then summarizes its structure, ion transport mechanism, and synthesis methods. Challenges (e.g., intrinsic brittleness, interfacial resistance, and compatibility) and corresponding solutions (ionic substitution, additives, protective layers, composite electrolytes, etc.) that are critical for practical applications are then discussed. Last, an outlook on the future research direction of LATP-based SSB is provided.

25 ENERGY STORAGE↗
DOE OSTI2025

Insight into the deformation features and capacity loss mechanisms of lithium-ion pouch cells under spherical indentation conditions

Mechanical deformation under extreme conditions is one of the important reasons for the failure of lithium-ion batteries in automotive application. However, the deformation features and component failure of lithium-ion cells to external loading has never been a design consideration. Here, in this study, we conduct spherical indentation tests on a dozen of lithium-ion cells with different capacities under different control mode conditions to investigate their deformation features and capacity loss mechanisms. The experimental results show that, under mechanical deformation conditions, internal faults of cells occur in stages, and energy accumulation and sudden release are two key processes of cell's mechanical failure. The cells' state of charge is the main factor affecting their thermal runaway behaviors. In addition, a finite element model is developed to simulate the deformation features and the failure mechanism of key components of lithium-ion pouch cells; the 3D x-ray computed tomography is employed to demonstrate its internal configuration. With this model, the force-strain response, the deformation features as well as the size of the failure area of lithium-ion cells under spherical indentation conditions are accurately predicted. In 3D x-ray computed tomography images, unique mud cracks in cooper current collector are observed, and the influence mechanisms of the isolated fragments on the cell capacities are revealed. These results may provide useful information for the mechanical structure design of the components of lithium-ion pouch cells.

25 ENERGY STORAGE↗
DOE OSTI2022

Quantification of electrochemical-mechanical coupling in lithium-ion batteries

Lithium-ion battery safety and durability by nature are dependent on electrochemical and mechanical coupling. Interdisciplinary efforts are required to understand and quantify coupling behaviors. Here we design and conduct mechanically constrained charge and discharge characterizations with efforts supported by multiphysics modeling to unravel the coupling mechanisms of solid-liquid electrode-electrolyte and solid-solid active materials in lithium-ion batteries. We demonstrate that a lithium-ion battery cell under mechanical constraint exhibits a higher voltage during charging and a shorter charging time because of increased electrolyte resistance and decreased diffusivity caused by decreased electrode porosity. The reaction force response of the cell is a combined result of the cell structural response mechanically and lithium-ion intercalation/de-intercalation-induced volume variation electrochemically. Under mechanical constraint, cell capacity is significantly reduced in fast-charge scenarios; however, it can be recovered by a constant-voltage charge protocol. The results highlight the promise of multiphysics approaches to unravel the electrochemical-mechanical coupling mechanisms to direct battery system design and management.

25 ENERGY STORAGE↗
DOE OSTI2025

Nine Canyon Long-Duration Energy Storage: A Feasibility Study

The Nine Canyon Long Duration Energy Storage (LDES) Feasibility Study explores the technical and economic viability of deploying advanced energy storage technologies at Energy Northwest's (EN) Nine Canyon (9C) Wind Project site in Benton County, Washington. Supported by the Washington State Department of Commerce and the U.S. Department of Energy’s Office of Electricity under its LDES Voucher Program, the study represents a collaborative effort between EN, Pacific Northwest National Laboratory (PNNL), and ARES North America. At the core of this effort is the development of a generalized techno-economic modeling framework and evaluation tool designed to assess the value proposition of LDES projects across a variety of contexts. The modeling tool is technology-agnostic and accommodates user-defined parameters such as rated power, energy duration, round-trip efficiency, capital and operational costs, and dispatch constraints. It also integrates economic inputs, including market prices, energy revenue structures, and financing parameters to evaluate performance through key metrics. The tool provides utilities with a transparent, adaptable platform to support decision-making, investment prioritization, and portfolio planning for various storage technologies. To guide scenario design and interpretation, the study first surveyed the LDES technology landscape, including lithium-ion batteries, flow batteries, non-hydro gravity storage, and thermo-mechanical systems, comparing cost trajectories, technical performance, safety and hazards, materials sourcing and recyclability, and spatial/siting considerations. This literature-grounded review highlights technology trade-offs and reinforces the need to align technology choice with site characteristics, use cases, and project objectives. A companion chapter examines ownership structures (EN ownership, third-party ownership, shared models) and offtake options (energy marketing, capacity/energy PPAs, time-of-use PPAs, block-delivery PPAs, and tolling), where PPAs (power purchase agreements) represent contractual arrangements for buying and selling electricity. The chapter also highlights implications for risk allocation, capital access, operational control, and revenue certainty. The study also evaluates supervisory control and data acquisition (SCADA) and transmission interconnection pathways, options include upgrading the existing SCADA or deploying a dedicated LDES controller, with attention to protection schemes, data telemetry, cybersecurity, and regulatory coordination with BPA. In addition, an ARES-specific geotechnical and hydrology assessment presented in the appendix screens multiple corridors for slope stability, bearing capacity, cut-and-fill magnitude, and stormwater behavior.

25 ENERGY STORAGE↗
DOE OSTI2022

A Low-Voltage Layered Na 2 TiGeO 5 Anode for Lithium-Ion Battery

Titanium-based anode materials have achieved much progress with the wide studies in lithium-ion batteries. However, these known materials usually possess high discharge voltage platforms and limited energy densities. In this work, a titanium-based oxide of Na 2 TiGeO 5 with layered structure, two-dimensional lamellar frame and exposed highly active (001) facet, exhibiting good electrochemical performance in terms of high capacity (410 mAh g –1 with a current density of 50 mA g –1 ), excellent rate capability and cycling stability with no obvious capacity attenuation after 4000 cycles, is reported. The appropriate discharge voltage plateau at around 0.2 V endows the Na 2 TiGeO 5 anode material high security compared with graphite and high energy density compared with spinel Li 4 Ti 5 O 12 . Combining the electrochemical tests and the density functional theory calculations, the Li + storage mechanism of Na 2 TiGeO 5 is elucidated and the conversion reaction process is revealed. More importantly, this study provides a way to develop low-voltage and high-capacity titanium-based anode materials for efficient energy storage.

25 ENERGY STORAGE↗
DOE OSTI2022

Local structure and ion storage properties of vanadate cathode materials regulated by the pre-alkalization

Aqueous Zn-ion batteries using mild acidic electrolytes utilizing a Zn 2+ /H + dual-ion storage mechanism have shown great potential in achieving high energy density comparable to non-aqueous lithium-ion batteries. Here, this study reveals that hydrated alkali-ions regulate the formation of alkali-intercalated vanadate layered compounds. Among various vanadate materials, lithium-intercalated vanadate has the largest interlayer spacing and most disordered local structure, exhibiting the largest storage capacity of 308 mA h g –1 at 0.05 A g –1 for Zn 2+ /H + dual-ion storage and improved charge transfer and transport kinetics and cycling performance, evidenced by in situ X-ray diffraction and ex situ X-ray total scattering and pair distribution function analysis. Our study provides new insight into designing layered vanadate materials for high-capacity aqueous batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

NASICON Na 3 V 2 (PO 4 ) 3 Enables Quasi-Two-Stage Na + and Zn 2+ Intercalation for Multivalent Zinc Batteries

Identifying positive electrode materials capable of reversible multivalent electrochemistry in electrolytes containing divalent ions such as Mg 2+ , Ca 2+ , and Zn 2+ at high operating potentials remains an ongoing challenge in “beyond lithium-ion” research. In this paper, we explore the Zn 2+ charge-storage mechanism of a vanadium-based Na + superionic conductor (NASICON), Na 3 V 2 (PO 4 ) 3 . By using X-ray synchrotron techniques to unravel potential-dependent structure–property relationships, we ascribe the reversible electrochemical behavior of Na 3 V 2 (PO 4 ) 3 to a quasi-two-stage intercalation process that involves both Na+ and Zn 2+ . Initial charging of Na 3 V 2 (PO 4 ) 3 leads to a Na + -extracted phase corresponding to Na 3 V 2 (PO 4 ) 3 , whereas subsequent discharge results predominantly in Na + intercalation followed by Zn 2+ intercalation. Operando X-ray diffraction of Na 3 V 2 (PO 4 ) 3 was used to study the phase changes associated with the first charge/discharge process, and ex situ measurements were used to precisely link the changes in the crystal structure to a quasi-two-stage intercalation of Na + and Zn 2+ . The corresponding changes in the V-oxidation state, V-O coordination, and the presence of Zn 2+ were confirmed by X-ray absorption spectroscopy. The results of this work present a comprehensive understanding of the charge-storage properties for a well-established NASICON structure that confers both the high capacity (~100 mA h g -1 ) and high potential (1.35 and 1.1 V vs Zn/Zn 2+ ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Ageing Studies of Mega Battery Packs for Grid Storage Applications Using Physics Based Modeling

The lower Levelized Cost of Electricity (LCOE) from wind and solar photovoltaics has enabled for greater integration of variable energy resources with energy storage tech-nologies such as larger centralized lithium-ion battery megapacks (with 1MWh total energy and 500V rating) to provide utility-scale services to grid operators. The daily cycling of standalone lithium-ion grid storage will reduce the battery cells' capacity due to several degradation mechanisms. A comprehensive physics-based Python tm framework called Liionpack was developed to estimate these megapacks' remaining life and ageing. The study includes various degradation mechanisms coupled to the electrochemical-thermal model at the pack level. The effect of the inhomogeneities from cell-to-cell thermodynamic and kinetic properties for different working conditions including temperature and charge/discharge protocols on the ageing of a megapack are presented here.

Karra, Vikrant↗
DOE OSTI2020

Investigation on capacity loss mechanisms of lithium-ion pouch cells under mechanical indentation conditions

Capacity loss was observed in Li-ion cells after mechanical deformation approaching the onset of internal short circuit (ISCr). In this paper, a series of indentation tests were carried out on commercial Li-ion cells of three capacities (500, 1500 and 2000 mAh). Both in-situ and ex-situ methods were used to investigate the mechanisms of indentation-induced capacity loss. We note after indentation test, the cell capacity reduced by 0.5%–6% of its original value. The incremental capacity (IC) analysis results showed that IC curves generally shifted to lower voltage region, indicating the increase in cell internal resistance. In addition, the fitting results of electrochemical impedance spectroscopy (EIS) indicated that mechanical indentation can result in a reduction in ohmic resistance and the increase in polarization resistance. Scanning electron microscopy (SEM) and X-ray computed tomography (XCT) results showed crushing of graphite, mud cracking of copper current collectors and enlarged pores in separator, which is proposed to be the main reasons for the increase in polarization resistance and permanent capacity loss. The rapid capacity loss due to mechanical abuse was compared with the long-term capacity fading.

25 ENERGY STORAGE↗
DOE OSTI2023

THESEUS: A techno-economic design, integration and downselection framework for energy storage

Optimal selection of energy storage technologies is critical to ensure reliable integration of intermittent and often uncertain renewable energy in electricity grids. The consideration of a diverse set of energy storage technologies is required for a more sustainable deployment of energy storage. We present THESEUS (TecHno-Economic framework for Systematic Energy storage Utilization and downSelection), which is a comprehensive framework for the optimal selection, design and operation of energy storage systems. THESEUS includes rigorous models of major energy storage technologies at different maturity levels, such as thermal storage using phase-change materials or molten salt, cryogenic storage, mechanical storage in the form of compressed air and pumped hydro storage, chemical storage using hydrogen, and electrochemical storage in the form of lithium-ion, sodium sulfur and vanadium flow batteries. An illustrative case study on state-wide prospective energy storage shows that storage integration with fossil power plants could reduce the cost of meeting the grid energy demand by 20%, with mechanical storage as the best suited technology. Although high-temperature thermal storage has low storage efficiency, it is optimal for integration with renewable energy plants. In addition, Li-ion batteries are optimal for high ramping but low storage duration requirements. Furthermore, such insights can enable the deployment of both existing and emerging energy storage technologies to facilitate a smooth transition to a clean energy future.

25 ENERGY STORAGE↗
DOE OSTI2022

A long-life lithium-oxygen battery via a molecular quenching/mediating mechanism

The advancement of lithium-oxygen (Li-O 2 ) batteries has been hindered by challenges including low discharge capacity, poor energy efficiency, severe parasitic reactions, etc. We report an Li-O 2 battery operated via a new quenching/mediating mechanism that relies on the direct chemical reactions between a versatile molecule and superoxide radical/Li 2 O 2 . The battery exhibits a 46-fold increase in discharge capacity, a low charge overpotential of 0.7 V, and an ultralong cycle life >1400 cycles. Featuring redox-active 2,2,6,6-tetramethyl-1-piperidinyloxy moieties bridged by a quenching-active perylene diimide backbone, the tailor-designed molecule acts as a redox mediator to catalyze discharge/charge reactions and serves as a reusable superoxide quencher to chemically react with superoxide species generated during battery operation. The all-in-one molecule can simultaneously tackle issues of parasitic reactions associated with superoxide radicals, singlet oxygen, high overpotentials, and lithium corrosion. The molecular design of multifunctional additives combining various capabilities opens a new avenue for developing high-performance Li-O 2 batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Designing a hybrid electrode toward high energy density with a staged Li + and PF 6 - deintercalation/intercalation mechanism

Existing lithium-ion battery technology is struggling to meet our increasing requirements for high energy density, long lifetime, and low-cost energy storage. Here, a hybrid electrode design is developed by a straightforward reengineering of commercial electrode materials, which has revolutionized the “rocking chair” mechanism by unlocking the role of anions in the electrolyte. Our proof-of-concept hybrid LiFePO 4 (LFP)/graphite electrode works with a staged deintercalation/intercalation mechanism of Li + cations and PF 6 - anions in a broadened voltage range, which was thoroughly studied by ex situ X-ray diffraction, ex situ Raman spectroscopy, and operando neutron powder diffraction. Introducing graphite into the hybrid electrode accelerates its conductivity, facilitating the rapid extraction/insertion of Li + from/into the LFP phase in 2.5 to 4.0 V. This charge/discharge process, in turn, triggers the in situ formation of the cathode/electrolyte interphase (CEI) layer, reinforcing the structural integrity of the whole electrode at high voltage. Consequently, this hybrid LFP/graphite-20% electrode displays a high capacity and long-term cycling stability over 3,500 cycles at 10 C, superior to LFP and graphite cathodes. Importantly, the broadened voltage range and high capacity of the hybrid electrode enhance its energy density, which is leveraged further in a full-cell configuration.

25 ENERGY STORAGE↗
DOE OSTI2021

Sulfurized Polyacrylonitrile (SPAN): Changes in Mechanical Properties during Electrochemical Lithiation

Sulfurized polyacrylonitrile (SPAN) is a promising material for stable lithium-sulfur (Li-S) batteries that can potentially satisfy the demand for high-density energy storage devices for electric vehicles (EVs). However, important physical and chemical properties of the SPAN cathode material are not yet well understood. For example, the SPAN mechanical behavior that depends on the structure and chemistry of the material generated during synthesis, and the mechanical response evolution during battery discharge have been scarcely investigated. This work addresses the effects of electrochemical lithiation on the SPAN mechanical integrity via uniaxial tensile loading tests using molecular dynamics with the ReaxFF potential. Here, we evaluate the volume expansion, Young’s modulus, yield strength, and ultimate tensile strength with increasing lithium contents. Our results show how the degree of graphitization of the carbonized skeleton impacts the SPAN ability to withstand the volume expansion-induced structural stresses upon lithiation. We describe the fracture mechanisms and find out a ductility loss with increasing lithium contents

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Evaluating temperature dependent degradation mechanisms of silicon-graphite electrodes and the effect of fluoroethylene carbonate electrolyte additive

Understanding and overcoming the relatively high rate of degradation observed with silicon (Si)-based anodes in lithium (Li)-ion batteries (LiBs) is crucial for developing cells with increased energy density. The capacity fade of Si-graphite (Gr) electrodes in electrolytes with and without 10 wt% fluoroethylene carbonate (FEC) is explored during cycling at temperatures of 25, 45, and 70 °C, focusing on the complex degradation modes arising from loss of active material, loss of Li inventory, and cell resistance growth. We first show the common half-cell testing cannot be used at elevated temperatures as the performance of Li metal overshadows the behavior of Si-Gr electrode. Symmetric cell configuration successfully eliminates the effect of foreign materials, and reveals that while the presence of FEC provides better passivation of Si, it also results in greater parasitic reactions at 70 °C and faster capacity fade. The electrolyte without FEC, on the other hand, shows higher capacity retention at 70 °C. Finally, we propose a multi-step test protocol which can successfully deconvolute the information on loss of Li inventory and of active material. By combining half-cell and symmetric cell test methods, we demonstrate that loss of active material is reduced at higher temperatures and the dominant mechanisms of capacity loss for Si-Gr electrodes at elevated temperatures is loss of Li inventory.

25 ENERGY STORAGE↗
DOE OSTI2020

Quantitative temporally and spatially resolved X-ray fluorescence microprobe characterization of the manganese dissolution-deposition mechanism in aqueous Zn/α-MnO 2 batteries

Rechargeable aqueous Zn/α-MnO 2 batteries are a possible alternative to lithium ion batteries for scalable stationary energy storage applications due to their low cost, safety and environmentally benign components. A critical need for advancement of this battery system is a full understanding of the electrochemical reaction mechanisms, which remain unclear. In this report, operando , spatiotemporal resolved synchrotron X-ray fluorescence mapping measurements on a custom aqueous Zn/α-MnO 2 cell provided direct evidence of a Mn dissolution-deposition faradaic mechanism that governs the electrochemistry. Simultaneous visualization and quantification of the Mn distribution in the electrolyte revealed the formation of aqueous Mn species during discharge and depletion on charge. The findings are supported by ex situ transmission electron microscopy (TEM), X-ray diffraction, Mn K-edge X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) measurements. The elucidated mechanism is fundamentally different from the previously proposed Zn 2+ insertion or conversion reactions. These findings provide a foundation for developing dissolution- deposition chemistries suitable for scalable stationary energy storage with aqueous electrolyte.

25 ENERGY STORAGE↗