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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Incombustible Polymer Electrolyte Boosting Safety of Solid–State Lithium Batteries: A Review

Lithium-ion batteries with their portability, high energy density, and reusability are frequently used in today's world. Under extreme conditions, lithium-ion batteries leak, burn, and even explode. Therefore, improving the safety of lithium-ion batteries has become a focus of attention. Researchers believe using a solid electrolyte instead of a liquid one can solve the lithium battery safety issue. Due to the low price, good processability and high safety of the solid polymer electrolytes, increasing attention have been paid to them. However, polymer electrolytes can also decompose and burn under extreme conditions. Moreover, lithium dendrites are formed continuously due to the uneven charge distribution on the surface of the lithium metal anode. A short circuit caused by a lithium dendrite can cause the battery to thermal runaway. As a result, the safety of polymer solid-state batteries remains a challenge. In this review, the thermal runaway mechanism of the batteries is summarized, and the batteries abuse test standard is introduced. In addition, the recent works on the high-safety polymer electrolytes and the solution strategies of lithium anode problems in polymer batteries are reviewed. Finally, the development direction of safe polymer solid lithium batteries is prospected.

25 ENERGY STORAGE↗
DOE OSTI2022

BattPhase—A Convergent, Non-Oscillatory, Efficient Algorithm and Code for Predicting Shape Changes in Lithium Metal Batteries Using Phase-Field Models: Part I. Secondary Current Distribution

Electrochemical models at different scales and varying levels of complexity have been used in the literature to study the evolution of the anode surface in lithium metal batteries. This includes continuum, mesoscale (phase-field approaches), and multiscale models. Thermodynamics-based equations have been used to study phase changes in lithium batteries using phase-field approaches. However, grid convergence studies and the effect of additional parameters needed to simulate these models are not well-documented in the literature. In this paper, using a motivating example of a moving boundary model in one- and two-dimensions, we show how one can formulate phase-field models, implement algorithms for the same and analyze the results. An open-access code with no restrictions is provided as well. This article concludes with some thoughts on the computational efficiency of phase-field models for simulating dendritic growth.

25 ENERGY STORAGE↗
DOE OSTI2025

Deciphering the Evolution of Current Distribution in Hybrid Silver Vanadium Oxide / Carbon Monofluoride Cathodes within Lithium Primary Batteries

For batteries to function effectively all active material must be accessible requiring both electron and ion transport to each particle. A common approach to generating the needed conductive network is the addition of carbon to create a composite electrode. An alternative approach is the electrochemically induced formation of conductive reaction products where the electrochemically generated materials are in intimate contact with the active material contributing to effective connection of each active particle. Furthermore, this study probes silver vanadium oxide (Ag 2 V 4 O 11 , SVO), carbon monofluoride (CF x ), and hybrid SVO/CF x electrodes in lithium batteries. Ex situ XRD identifies Ag 0 as a reduction product from SVO and LiF from CF x that can be followed as a function of depth-of-discharge (DOD). Spatially-resolved operando energy dispersive x-ray diffraction reveals that the presence of SVO alleviates reaction heterogeneity in the electrodes which are electron transfer limited in the absence of sufficient Ag 0 . Synchrotron X-ray tomography on discharged cathodes reveals the distribution of silver particles where the particles are more closely spaced near the current collector indicating multiple nucleation sites for their formation. Finally, operando isothermal microcalorimetry is used to determine the heat dissipation of the parent and hybrid battery types. Using material enthalpy potentials, we determine the current distribution between the two active materials for the discharging hybrid cathode adding further insight to the diffraction analysis. Taken together, these results provide a comprehensive understanding of hybrid SVO/CF x cathodes and give guidance on optimal compositions that balance power and energy density considerations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Revisiting Discharge Mechanism of CF x as a High Energy Density Cathode Material for Lithium Primary Battery

Lithium/fluorinated graphite (Li/CFx) primary batteries show great promise for applications in a wide range of energy storage systems due to their high energy density (>2100 Wh kg –1 ) and low self-discharge rate (<0.5% per year at 25 °C). While the electrochemical performance of the CF x cathode is indeed promising, the discharge reaction mechanism is not thoroughly understood to date. In this article, a multiscale investigation of the CF x discharge mechanism is performed using a novel cathode structure to minimize the carbon and fluorine additives for precise cathode characterizations. Titration gas chromatography, X-ray diffraction, Raman spectroscopy, X-ray photoelectron spectroscopy, scanning electron microscopy, cross-sectional focused ion beam, high-resolution transmission electron microscopy, and scanning transmission electron microscopy with electron energy loss spectroscopy are utilized to investigate this system. Results show no metallic lithium deposition or intercalation during the discharge reaction. Crystalline lithium fluoride particles uniformly distributed with <10 nm sizes into the CF x layers, and carbon with lower sp2 content similar to the hard-carbon structure are the products during discharge. This article deepens the understanding of CF x as a high energy density cathode material and highlights the need for future investigations on primary battery materials to advance performance.

25 ENERGY STORAGE↗
DOE OSTI2025

Atomistic Insights into Lithium–Glyme Solvate Ionic Liquids: Effects of Chain Length and Anion Coordination

For this study, mixtures of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) in diglyme (G2), triglyme (G3) and tetraglyme (G4) at solvate ionic liquid (SIL) concentrations were investigated using classical molecular dynamics (cMD) simulations with a physically motivated force-field specifically developed for modeling these systems. The structural and dynamical properties of the mixtures were computed and analyzed. Lithium solvation shells, radial distribution functions, and X-ray structure factors were studied across the different SIL systems. Translational diffusion and rotational relaxation times were also evaluated, exhibiting similar trends with increasing glyme chain length. The results are consistent with experimental data and in good agreement with previous computational studies on G3 and G4. These findings validate the accuracy of the force field in modeling glyme systems and its use for describing the [Li(G2) 4/3 ][TFSI] mixture. Additionally, the thermal and electrochemical stability of these electrolytes were systematically examined. The thermal stability appears to be governed by cooperative interactions among glyme molecules, while the electrochemical stability is primarily influenced by Li + -anion interactions, which vary significantly with glyme chain length. Overall, the study sheds light on the crucial role of the anion in these glyme-based SILs and offers valuable insights into Li + -glyme systems at SIL concentrations, highlighting their promise as potential Li-ion battery electrolytes.

anions↗
NASA NTRS2000

Power Systems Evaluated for Solar Electric Propulsion Vehicles

Solar electric propulsion (SEP) mission architectures are applicable to a wide range NASA missions including the robotic exploration of the outer planets in the next decade and the human exploration of Mars within the next 2 decades. SEP enables architectures that are very mass efficient with reasonable power levels (1-MW class) aerobrake and cryogenic upper-stage transportation technologies are utilized. In this architecture, the efficient SEP stage transfers the payload from low Earth orbit (LEO) High Energy Elliptical Parking Orbit (HEEPO) within a period of 6 to 12 months. highthrust, cryogenic upper stage and payload then separate from the SEP vehicle for injection to the planetary target, allowing for fast heliocentric trip times. This mission architecture offers a potential reduction in mass to LEO in comparison to alternative all-chemical nuclear propulsion schemes. Mass reductions may allow launch vehicle downsizing enable missions that would have been grounded because of cost constraints. The preceding figure illustrates a conceptual SEP stage design for a human Mars mission. Researchers at the NASA Glenn Research Center at Lewis Field designed conceptual SEP vehicle, conceived the mission architecture to use this vehicle, and analyzed the vehicle s performance. This SEP stage has a dry mass of 35 metric tons (MT), 40 MT of xenon propellant, and a photovoltaic array that spans 110 m, providing power to a cluster of eight 100-kW Hall thrusters. The stage can transfer an 80-MT payload and upper stage to the desired HEEPO. Preliminary packaging studies show this space-station-class SEP vehicle meets the proposed "Magnum" launch vehicle and volume requirements with considerable margin. An SEP vehicle for outer planetary missions, such as the Europa Mapper Mission, would be dramatically smaller than human Mars mission SEP stage. In this mission architecture, the SEP power system with the payload to provide spacecraft power throughout the mission. Several photovoltaic array design concepts were considered for the SEP vehicle power system for the human mission to Mars. These include a space station derivative, a SCARLET (Solar Concentrator Arrays with Refractive Linear Element Technology) derivative, and a hybrid inflatable-deployable thin polymer membrane array with thin-film solar cells (as shown in the concept illustration). This concept is based on a design developed for the Next Generation Space Telescope Sun shield. The array is divided into 16 independent electrical sections with 500-V, negative-grounded solar cell strings. The power system employs a channelized, 500-Vdc power management and distribution (PMAD) architecture with lithium ion batteries for energy storage for vehicle and payload secondary loads (the high-power Hall thrusters do not operate in eclipse periods). The 500-V PMAD voltage permits "direct-drive" thruster operation, greatly reducing the power processing unit size, complexity, and power loss. Similar power system architecture, designs, and technology are assumed for the Europa Mapper Mission SEP vehicle. The primary exceptions are that the photovoltaic array is assumed to consist of two rectangular wings and that the power system rating is 15 kW in Earth orbit and 200 W at Europa. To size the SEP vehicle power system, a dedicated Fortran code was developed to predict detailed power system performance, mass, and thermal control requirements. This code also modeled all the relevant Earth orbit environments; that is, the particulate radiation, plasma, meteoroids and debris, ultraviolet radiation, contamination, and thermal conditions. Analysis results for the Human Mars Mission SEP vehicle show a power system mass of 9-MT and photovoltaic array area of 5800-square meters for the thin-membrane design concept with CuInS2 thin-film cells. Power processing unit input power for a thin-membrane array design with three-junction, amorphous SiGe solar cells is shown in the graph. Power falls off rapidly inhe first weeks of the mission because of light-induced (Staebler-Wronksi) solar cell losses. During the next 200 days, power decreases steadily as the SEP stage spirals through the proton belts and sustains the bulk of the mission radiation damage. Once the vehicle apogee is above approximately four Earth radii, little additional degradation is incurred. From 400 to 800 days, a 1100-km "parking" orbit is maintained to await the next payload transfer opportunity. This orbit is below the main proton belt, and thus, little radiation dose is accumulated during this time period. During the second LEO-to-HEEPO transfer, power degrades somewhat further, but power requirements are still met. In comparison, the Europa Mapper SEP vehicle power system had a mass of 150 kg and a thin membrane array area of 100 square meters.

Kerslake, Thomas W.↗
DOE OSTI2025

Flux Upcycling of Degraded Layered Cathodes to LiNi x Mn y Co z O 2 (NMCs) with Gradient Transition Metal Distribution

The rising demand for lithium-ion batteries (LIBs) has intensified the need for efficient recycling methods to address both supply chain constraints and environmental impacts. Direct upcycling, distinguished by its ability to achieve both the structural and compositional integrity of cathode materials, has gained prominence as a sustainable alternative to conventional pyrometallurgical and hydrometallurgical processes. However, the current direct upcycling methods are typically limited by incorporating Li and/or Ni, significantly constraining the adaptability across diverse LiNi x Mn y Co z O 2 (NMCs). Here, in this study, a versatile molten salt approach is reported that expands the scope of direct upcycling by enabling simultaneous incorporation of Li, Ni, and Mn. This methodology facilitates flexible conversion among diverse NMC compositions, including non-stoichiometric Co/Mn systems such as upcycling degraded LiCoO 2 (D-LCO), LiNi 1/3 Mn 1/3 Co 1/3 O 2 (D-NMC111), LiNi 0.8 Mn 0.1 Co 0.1 O 2 (D-NMC811) to surface Mn enriched NMC111, LiNi 0.5 Mn 0.3 Co 0.2 O 2 (NMC532), and NMC811, respectively. The gradient transition metal distribution in upcycled products, characterized by Mn-enriched outer layers and Co/Ni-enriched cores enhances the interfacial stability of NMC cathodes, addressing critical challenges in long-term performance and structural integrity. These results highlight the potential of flux methods for advancing the upcycling of spent cathodes and producing high-performance materials for next-generation LIBs applications.

lithium -ion batteries↗
NASA NTRS1971

The observation of structural defects in neutron-irradiated lithium-doped silicon solar cells

Electron microscopy has been used to observe the distribution and morphology of lattice defects introduced into lithium-doped silicon solar cells by neutron irradiation. Upon etching the surface of the solar cells after irradiation, crater-like defects are observed that are thought to be associated with the space charge region around vacancy clusters. Thermal annealing experiments showed that the crater defects were stable in the temperature range 300 to 1200 K in all of the lithium-doped samples. Some annealing of the crater defects was observed to occur in the undoped cells which were irradiated at the lowest doses.

Sargent, G. A.↗
DOE OSTI2023

Large Local Currents in a Lithium-Ion Battery during Rest after Fast Charging

Increasing electric vehicle (EV) adoption requires lithium-ion batteries that can be charged quickly and safely. Some EV batteries have caught on fire despite being neither charged nor discharged. While the lithium that plates on graphite during fast charging affects battery safety, so do the internal ionic currents that can occur when the battery is at rest after charging. These currents are difficult to quantify; the external current that can readily be measured is zero. Here we study a graphite electrode at rest after 6C fast charging using operando X-ray microtomography. We quantify spatially resolved current density distributions that originate at plated lithium and end in underlithiated graphite particles. The average current densities decrease from 1.5 to 0.5 mA cm -2 in about 20 min after charging is stopped. Surprisingly, the range of the stripping current density is independent of time, with outliers above 20 mA cm -2 . In conclusion, the persistence of outliers provides a clue as to the origin of catastrophic failure in batteries at rest.

25 ENERGY STORAGE↗
NASA NTRS1970

Code CUGEL: A code to unfold Ge(Li) spectrometer polyenergetic gamma photon experimental distributions

A FORTRAN code was developed for the Univac 1108 digital computer to unfold lithium-drifted germanium semiconductor spectrometers, polyenergetic gamma photon experimental distributions. It was designed to analyze the combination continuous and monoenergetic gamma radiation field of radioisotope volumetric sources. The code generates the detector system response matrix function and applies it to monoenergetic spectral components discretely and to the continuum iteratively. It corrects for system drift, source decay, background, and detection efficiency. Results are presented in digital form for differential and integrated photon number and energy distributions, and for exposure dose.

Steyn, J. J.↗
DOE OSTI2023

Visualizing interfacial collective reaction behaviour of Li–S batteries

Benefiting from high energy density (2,600 Wh kg -1 )) and low cost, lithium-sulfur (Li-S) batteries are considered promising candidates for advanced energy-storage systems. Despite tremendous efforts in suppressing the long-standing shuttle effect of lithium polysulfides, understanding of the interfacial reactions of lithium polysulfides at the nanoscale remains elusive. This is mainly because of the limitations of in situ characterization tools in tracing the liquid-solid conversion of unstable lithium polysulfides at high temporal-spatial resolution. There is an urgent need to understand the coupled phenomena inside Li-S batteries, specifically, the dynamic distribution, aggregation, deposition and dissolution of lithium polysulfides. Here, by using in situ liquid-cell electrochemical transmission electron microscopy, we directly visualized the transformation of lithium polysulfides over electrode surfaces at the atomic scale. Notably, an unexpected gathering-induced collective charge transfer of lithium polysulfides was captured on the nanocluster active-centre-immobilized surface. It further induced an instantaneous deposition of nonequilibrium Li2S nanocrystals from the dense liquid phase of lithium polysulfides. Without mediation of active centres, the reactions followed a classical single-molecule pathway, lithium polysulfides transforming into Li 2 S 2 and Li 2 S step by step. Molecular dynamics simulations indicated that the long-range electrostatic interaction between active centres and lithium polysulfides promoted the formation of a dense phase consisting of Li + and S n 2- (2 < n ≤ 6), and the collective charge transfer in the dense phase was further verified by ab initio molecular dynamics simulations. Finally, the collective interfacial reaction pathway unveils a new transformation mechanism and deepens the fundamental understanding of Li-S batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Role of Coatings as Artificial Solid Electrolyte Interphases on Lithium Metal Self-Discharge

Artificial solid electrolyte interphases have provided a path to improved cycle life for high energy density, next-generation anodes like lithium metal. Although long cycle life is necessary for widespread implementation, understanding and mitigating the effects of aging and self-discharge are also required. In this report we investigate several coating materials and their role in calendar life aging of lithium. We find that the oxide coatings are electronically passivating whereas the LiF coating slows charge transfer kinetics. Furthermore, the Coulombic loss during self-discharge measurements improves with the oxide layers and worsens with the LiF layer. It is found that none of the coatings create a continuous conformal, electronically passivating layer on top of the deposited lithium nor are they likely to distribute evenly through a porous deposit, suggesting that none of the materials are acting as an artificial solid electrolyte interphase. Instead, they likely alter performance through modulating lithium nucleation and growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

Power System Options Evaluated for the Radiation and Technology Demonstration Mission

The Radiation and Technology Demonstration (RTD) Mission is under joint study by three NASA Centers: the NASA Johnson Space Center, the NASA Goddard Space Flight Center, and the NASA Glenn Research Center at Lewis Field. This Earth-orbiting mission, which may launch on a space shuttle in the first half of the next decade, has the primary objective of demonstrating high-power electric thruster technologies. Secondary objectives include better characterization of Earth's Van Allen trapped-radiation belts, measurement of the effectiveness of the radiation shielding for human protection, measurement of radiation effects on advanced solar cells, and demonstration of radiation-tolerant microelectronics. During the mission, which may continue up to 1 year, the 2000-kg RTD spacecraft will first spiral outward from the shuttle-deployed, medium-inclination, low Earth orbit. By the phased operation of a 10-kW Hall thruster and a 10-kW Variable Specific Impulse Magneto-Plasma Rocket, the RTD spacecraft will reach a low-inclination Earth orbit with a radius greater than five Earth radii. This will be followed by an inward spiraling orbit phase when the spacecraft deploys 8 to 12 microsatellites to map the Van Allen belts. The mission will conclude in low Earth orbit with the possible retrieval of the spacecraft by the space shuttle. A conceptual RTD spacecraft design showing two photovoltaic (PV) array wings, the Hall thruster with propellant tanks, and stowed microsatellites is presented. Early power system studies assessed five different PV array design options coupled with a 120-Vdc power management and distribution system (PMAD) and secondary lithium battery energy storage. Array options include (1) state-of-the-art 10-percent efficient three-junction amorphous SiGe thin-film cells on thin polymer panels deployed with an inflatable (or articulated) truss, (2) SCARLET array panels, (3) commercial state-of-the-art, planar PV array rigid panels with 25-percent efficient, three-junction GaInP2/GaAs/Ge solar cells, (4) rigid panels with 25-percent efficient, three-junction GaInP2/GaAs/Ge solar cells, in a 2 -concentrator trough configuration, and (5) thin polymer panels with 25-percent efficient, three-junction GaInP2/GaAs/Ge solar cells deployed with an inflatable (or articulated) truss. To assess the relative merits of these PV array design options, the study group developed a dedicated Fortran code to predict power system performance and estimate system mass. This code also modeled Earth orbital environments important for accurately predicting PV array performance. The most important environmental effect, solar cell radiation degradation, was calculated from electron-proton fluence input from the industry standard AE8/AP8 trapped radiation models and the concept of damage equivalence. Power systems were sized to provide 10 kW of thruster power and approximately 1 kW of spacecraft power at end of life. Of the five PV array design options, the option 1 (thin-film cells) power system was the most massive 590 kg, whereas the option 4 (trough concentrator) power system was the lightest 260 kg. Arguably, the lowest cost would come from the option 3 (commercial array panels) power system with an acceptable, albeit greater, system mass of 320 kg. Predicted power system performance during the spiral-out mission phase is shown the preceding graph for the option 5 (flexible-panel) array. From the results, the radiation-induced power loss over time is evident as the spacecraft slowly spirals outward through the trapped proton belt. The importance of the spiral trip time is also evident in the two curves representing 74-day and 182-day spiral-out periods. The longer spiral time introduces a beginning-of-life power oversizing penalty greater than 1 kW. Future studies will analyze power system performance and mass with a 50-Vdc power management and distribution architecture favorable to the VASIMR thruster and longer missions.

Kerslake, Thomas W.↗
DOE OSTI2025

Impact of Module Configuration on Lithium-Ion Battery Performance and Degradation: Part I. Energy Throughput, Voltage Spread, and Current Distribution

Batteries are commonly connected in series and parallel to create modules that fulfill the power and energy requirements of specific applications. However, conclusions about battery performance and degradation under different conditions, as well as predictive models, are often derived from single cell cycling results. In this study, we evaluate the performance of six different series-parallel configurations of commercial lithium nickel manganese cobalt cells over hundreds of cycles. Each cell within the modules was individually instrumented for voltage, current, and temperature monitoring. We quantified the impact of module configuration on overall energy throughput, the voltage spread among series-connected cells, and the current heterogeneity in parallel-connected cells. This module cycling study, one of the broadest reported to date, supports systematic evaluation of the performance trade-offs, pack penalty, and safety implications of different module configurations.

25 ENERGY STORAGE↗
DOE OSTI2025

Pressure-Tolerant 3D Anodes Enable Short-Circuit Prevention and Low Heat Generation in Argyrodite Solid-State Batteries

Solid-state batteries (SSBs) offer a safer, higher-energy-density alternative to lithium-ion batteries, yet commercialization is hindered by incompatibility with lithium metal. Here, to overcome these challenges, we developed a cost-effective, commercially available prelithiated micro carbon fiber framework (Li-Cf) anode featuring a high-pressure-tolerance, for use with argyrodite solid-state electrolytes (SSEs). This 3D structure accommodates uniform lithium deposition, simplifies cell assembly under elevated pressure, inhibits dendrite growth toward SSEs, reduces heat generation, and enhances overall compatibility. Notably, our architecture enables the cell to tolerate pressures up to 400 MPa without short-circuiting during assembly. Meanwhile, the 3D framework serves as a preferential pathway for lithium deposition, thereby reducing lithium growth toward the SSEs and mitigating the risk of dendrite formation in SSEs. Operando calorimetry and distribution of relaxation times analysis reveal that lithium morphology degradation at the interface with the SSEs is a key failure mechanism in lithium metal argyrodite SSBs, leading to increased diffusion resistance and heat generation. In contrast, the Li-Cf anode mitigates these issues by reducing both heat flux and charge transfer resistance. Full cells with LiNi 0.8 Co 0.1 Mn 0.1 O 2 /Li 6 PS 5 Cl/Li-Cf retain ~79% capacity after 600 cycles, demonstrating significantly improved cycling stability and strong potential for practical energy storage applications.

25 ENERGY STORAGE↗
NASA NTRS1972

Scattering of 42-MeV alpha particles from Cu-65

The extended particle-core coupling model was used to predict the properties of low-lying levels of Cu-65. A 42-MeV alpha particle cyclotron beam was used for the experiment. The experiment included magnetic analysis of the incident beam and particle detection by lithium-drifted silicon semiconductors. Angular distributions were measured for 10 to 50 degrees in the center of mass system. Data was reduced by fitting the peaks with a skewed Gaussian function using a least squares computer program with a linear background search. The energy calibration of each system was done by pulsar, and the excitation energies are accurate to + or - 25 keV. The simple weak coupling model cannot account for the experimentally observed quantities of the low-lying levels of Cu-65. The extended particle-core calculation showed that the coupling is not weak and that considerable configuration mixing of the low-lying states results.

Stewart, W. M.↗
DOE OSTI2020

Multimodal Analysis of Reaction Pathways of Cathode Materials for Lithium Ion Batteries

Conversion mechanism in lithium ion batteries provides higher capacity than intercalation mechanism since multiple numbers of electrons and lithium ions are associated. However, poor cycling stability, large voltage hysteresis, and low energy efficiency have been great challenges of conversion reaction. To address those issues, conversion-type electrode materials have been reformed via doping or substituting other elements. For example, iron fluorides (FeF 2 , FeF 3 ) have modified as iron oxyfluorides (FeF 1-x O x ), showing enhanced long-term stability. Furthermore, co-substituted (both anion and cation substituted) Fe 0.9 Co 0.1 OF (FeCoOF) was demonstrated excellent cycling stability. (capacity of 350 mAh g -1 at a current of 500 mA g -1 for 1000 cycles). Substituting anion and cation in iron fluoride has been suggested as an effective method to achieve better reversibility but understanding of lithiation reactions in co-substituted FeCoOF is not clear. This work takes advantage of ex-situ/ in-situ synchrotron X-ray based techniques and transmission electron microscopy to elucidate structural changes with lithium ion, which may provide fundamental insights into modifying conversion-type materials. Figure 1 presents discharge-charge curves and pair distribution function patterns acquired at each potential. As lithium ions were inserted, structural changes were noticed both at short-range and long-range. However, long-range ordering was nearly maintained even at 1 V, indicating absence of conversion reaction. Figure 2 shows lithiation induced structural evolution of a single FeCoOF nanorod observed in real time. As lithiation proceeds, the width of nanorods shows a stepwise increase, particularly A in figure 2d, which may indicate multiple steps of lithiation occur. Considering that conversion reaction takes place around 2 V in FeF 3 , co-substitution Co and O into iron fluoride may change thermodynamic features of lithiation reactions by lowering the initiation potential for conversion reaction. Instead, phase transformations occur at long-range order, which may help maintaining structural integrity during operation, eventually, achieving cycling stability.

25 ENERGY STORAGE↗