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At least 91 records · Page 5

Thermal Dynamics and Lithium Plating Detection in High‐Power Li‐Ion Batteries for eVTOL Applications

The rapid electrification of aerial transportation is driving the need for high‐performance Li‐ion batteries that can operate reliably under stringent thermal and safety constraints. The unique mission profile of electric Vertical Take‐off and Landing (eVTOL) aircraft necessitates a focused investigation into the thermal behavior and safety characteristics of these batteries. Here, in this study, operando isothermal microcalorimetry is employed to examine the thermal evolution of Li‐ion batteries under cycling conditions representative of eVTOL operations. These findings reveal that high‐power discharge events—such as those during take‐off and landing—shift the thermal response toward exothermic behavior, in contrast to the typically endothermic response expected under near‐equilibrium cycling conditions. Additionally, the results suggest that advanced electrolyte formulations may help suppress excess heat generation, thereby improving battery safety. Notably, the calorimetric results exhibit a distinct thermal signature associated with lithium plating, offering a potential diagnostic for detecting Li plating during eVTOL operation. Overall, this study demonstrates the utility of isothermal microcalorimetry as a valuable tool for assessing thermal risks in Li‐ion batteries for eVTOL applications, and highlights the importance of targeted design strategies to mitigate safety hazards during high‐power demand scenarios.

Li plating↗

Multiple Functional Bonds Integrated Interphases for Long Cycle Sodium-Ion Batteries

Sodium-ion batteries (SIBs) have garnered significant interest as one of the most promising energy suppliers for power grid energy storage. However, the poor electrode/electrolyte interfacial stability leads to continual electrolyte decomposition and transition metal dissolution, resulting in rapid performance degradation of SIBs. In this work, we propose a strategy integrating multiple functional bonds to regulate electrode/electrolyte interphase by triple-coupling of succinonitrile (SN), sodium hexafluorophosphate (NaPF 6 ) and fluorinated ethylene carbonate (FEC). Theoretical calculation and experiment results show that the solvation structure of Na + and ClO 4 – is effectively reconfigured by the solvated FEC, SN and PF 6 – in PC-based carbonate electrolyte. The newly developed electrolyte demonstrates increased Na + -FEC coordination, weakened interaction of Na + -PC and participation of SN and PF 6 – anions in solvation, resulting in the formation of a conformal interfacial layer comprising of sodium oxynitrides (NaN x O y ), sodium fluoride (NaF) and phosphorus oxide compounds (NaP x O y ). Consequently, a 3 Ah pouch full cell of hard carbon//NaNi 1/3 Fe 1/3 Mn 1/3 O 2 exhibits an excellent capacity retention of 90.4 % after 1000 cycles. Detailed postmortem analysis of interface chemistry is further illustrated by multiple characterization methods. Finally, this study provides a new avenue for developing electrolyte formulations with multiple functional bonds integrated interphases to significantly improve the long-term cycling stability of SIBs.

25 ENERGY STORAGE↗

Mastering the synergy between Na 3 V 2 (PO 4 ) 2 F 3 electrode and electrolyte: A must for Na-ion cells

Sodium-ion batteries are emerging as suitable energy storage devices for special applications such as high-power devices with the advantages of being cheaper and more sustainable than the Li-ion equivalents. The sodium ion cells consisting of polyanionic Na 3 V 2 (PO 4 ) 2 F 3 - hard carbon electrodes exhibit high power rate capabilities but limited cycle life, especially at high temperatures. To circumvent this drawback we herein conducted in-depth analyses of the origins of structural degradations occurring in Na 3 V 2 (PO 4 ) 2 F 3 electrodes upon long cycling. Vanadium dissolution with associated parasitic reactions is identified as one of the major reasons for cell failure. Its amount varies depending on the electrolyte, with NaTFSI-based electrolyte showing the least vanadium dissolution as the TFSI - anion decomposes without producing acidic impurities, in contrast to the NaPF 6 -based electrolyte. The dissolved vanadium species undergoes oxidation and reduction processes at the Na 3 V 2 (PO 4 ) 2 F 3 and HC electrodes, respectively, with the electrochemical signature of these processes being used as a fingerprint to identify state of health of the 18650 cells. Here, having found that surface reactivity is the primary cause of vanadium dissolution we provide methods to mitigate it by combining surface coating and optimized electrolyte formulation.

25 ENERGY STORAGE↗

Emerging Potassium Metal Anodes: Perspectives on Control of the Electrochemical Interfaces

Potassium metal acts as the anode in emerging potassium metal batteries (KMBs). It further serves as the counter-electrode for potassium ion battery (KIB) half-cells, with its reliable performance being critical for assessing the working electrode material. This first-of-its-kind critical review focuses on the dual challenge of controlling the potassium metal-substrate and the potassium metal-electrolyte interface so as to prevent dendrites. The discussion begins with a comparison of the physical and chemical properties of K metal anodes versus the much oft studied Li and Na metal anodes. Based on established descriptions for root causes of dendrites, the problem should be less severe for K than for Li or Na, while in fact the opposite is observed. The key reason that the K metal surface rapidly becomes dendritic in common electrolytes is its unstable solid electrolyte interphase (SEI). An unstable SEI layer is defined as being non self-passivating. No SEI is perfectly stable during cycling, and all SEI structures are heterogenous both vertically and horizontally relative to the electrolyte interface. The difference between a "stable" and an "unstable" SEI may be viewed as the relative degree to which during cycling it thickens and becomes further heterogeneous. The unstable SEI on K metal leads to a number of interrelated problems, such as low cycling Coulombic efficiency (CE), a severe impedance rise, large overpotentials, and possibly electrical shorting; all of which have been reported to occur as early as in the first ten plating/stripping cycles. Many of the traditional "interface fixes" employed for Li and Na metal anodes, such as various artificial SEIs, surface membranes, barrier layers, the secondary separators, etc. have not been attempted or optimized for the case of K. This is an important area for further exploration, with an understanding that success may come harder than with Li due to K-based SEI reactivity with both ether and ester solvents. The second critical problem with K metal anodes is that they do not thermally or electrochemically wet a standard (untreated) Cu foil current collector. Published experimental and modeling research directly highlights the weak bonding between the K atoms and a Cu surface. Existing surface treatment approaches that achieve improved K wetting are discussed, along with the general design rules for future studies. Also discussed are geometry-based methods to tune nucleation, as well dual approaches where nucleation and SEI structure are tuned through complementary schemes to achieve extended half-cell and full battery stability. We hypothesize that K metal never achieves a planar wetting morphology even at cycle one making the dendrites "baked-in". We propose that classical thin films growth models, Frank van der Merwe (F-M), Volmer Weber (V-W), and Stranski-Krastanov (S-K) can be employed to describe early stage plating behavior. It is demonstrated that island-like V-W growth is the applicable description for the natural plating behavior of K on pristine Cu. Moving forward, there are three inter-related thrusts to be pursued: First, K salt - based electrolyte formulations have to mature and become further tailored to handle the increased reactivity of a metal rather than an ion anode. Second, the K-based SEI structure needs to be further understood and ultimately tuned to be less reactive. Third, the energetics of the K metal - current collector interface must be controlled to promote planar wetting/dewetting throughout cycling.

25 ENERGY STORAGE↗

Oxygen-Based Anion Redox for Lithium Batteries

The importance of current Li-ion batteries (LIBs) in modern society cannot be overstated. While the energy demands of devices increase, the corresponding enhancements in energy density of battery technologies are highly sought after. Currently, many different battery concepts, such as Li-S and metal-air among many others, have been investigated. However, their practical implementation has mostly been restricted to the prototyping stage. In fact, most of these technologies require rework of existing Li-ion battery manufacturing facilities and will naturally incur resistance to change from industry. For this reason, one specifically attractive technology, anionic redox in transition metal oxides, has gained much attention in the recent years. Its ability to be directly used in already established processes and higher energy density with similar electrolyte formulation make it a key materials research direction for next generation Li-ion batteries. In regular LIBs, the redox active centers are the transition metal cation. In anion redox, both the anion (typically O) and the transition metal cation are utilized as redox centers with enormous implications for increasing energy density. This new material can be highly competitive for replacing the current LIB technologies. However, much is still unknown about its cyding mechanism. Upon activating the O redox couples, most cationic and anionic redox active materials will either evolve O 2 or undergo irreversible structural degradation with associated severe decreases in electrochemical performance. By understanding the transition from full anion redox to partial cationic and anionic redo; we hope readers can gain a deeper understanding of the topic. This Account will focus mainly on the work that was conducted by our group at Argonne National Laboratory. Herein, the phenomenon of cationic and anionic redox in a lithium-ion battery cathode will first be discussed. Our work in resonant inelastic X-ray scattering to investigate the spectroscopic features of O after delithiation has found potential "fingerprint" signals that could likely be used to identify and confirm reversible O redox if corroborated with other techniques. To follow, we will examine our work on Li-O 2 batteries. While our group and the research community have had many significant contributions and improvements to the field of Li-O 2 (such as decreasing overpotential and achieving cyclability in air environment), its practical application is still far from realization. Perhaps our most important contribution to this area is the discovery that Ir deposited on reduced graphene oxide can be used to halt the reduction of O 2 at the LiO 2 oxidation state. This not only significantly decreases the charge overpotential but also presents the important concept of oxidation-state controlled discharge. Subsequently, we will focus on our oxidation state-controlled redox-based charging of oxygen in a pure oxygen redox Li-ion battery. Future implications of this technology will be emphasized.

25 ENERGY STORAGE↗

Iron-Doped Sodium Vanadium Oxyflurophosphate Cathodes for Sodium-Ion Batteries—Electrochemical Characterization and In Situ Measurements of Heat Generation

Sodium-ion batteries (NaIBs) are increasingly being envisioned for grid-scale energy-storage systems because of cost advantages. However, implementation of this vision has been challenged by the low-energy densities delivered by most NaIB cathodes. Toward addressing this challenge, the authors report the synthesis and characterization of a new iron-doped Na 3 Fe 0.3 V 1.7 O(PO 4 ) 2 F 2 cathode using a novel facile hydrothermal route. The synthesized material was characterized using scanning electron microscopy, X-ray diffraction, and Mössbauer spectroscopy techniques. The obtained discharge capacity in the half-cell configuration lies from 119 to 125 to 130 mA h/g at C/10 while tested using three different electrolyte formulations, dimethyl carbonate–ethylene carbonate (EC)–propylene carbonate (PC), diethyl carbonate–EC, and EC–PC, respectively. The synthesized cathodes were also evaluated in full-cell configurations, which delivered an initial discharge capacity of 80 mA h/g with NaTi 2 (PO 4 ) 3 MWCNT as the anode. Ionic diffusivity and interfacial charge transfer kinetics were also evaluated as a function of temperature and sodium concentration, which revealed that electrochemical rate performances in this material were limited by charge-transfer kinetics. To understand the heat generation mechanism of the Na/Na 3 Fe 0.3 V 1.7 O(PO 4 ) 2 F 2 half-cell during charge and discharge processes, an electrochemical isothermal calorimetry measurement was carried out at different current rates for two different temperatures (25 and 45 °C). The results showed that the amount of heat generated was strongly affected by the operating charge/discharge state, C-rate, and temperature. Altogether, this work provides a new synthesis route for the development of iron-doped Na 3 Fe 0.3 V 1.7 O(PO 4 ) 2 F 2 -based high-performance sodium cathode materials aimed at providing a viable pathway for the development and deployment of large-scale energy-storage based on sodium battery systems.

25 ENERGY STORAGE↗

Fast and Simple Ag/Cu Ion Exchange on Cu Foil for Anode-Free Lithium-Metal Batteries

Lithium-metal batteries with zero excess lithium on the anode side paired with a fully lithiated cathode are regarded as a form of the highest energy-density configuration. Unfortunately, the continuous lithium loss over cycling from a limited amount of lithium reservoir significantly degrades the overall cell performance in the anode-free system. To mitigate the deterioration, modifying the current collector for enhanced lithium cycling is an indispensable route. Here, we apply a Ag/Cu ion exchange to precipitate micro-sized Ag particles on the Cu current collector to enhance the lithium reversibility via (de)alloying process. Further, we show a smoother morphology of lithium upon alloying, which leads to a lowered nucleation potential as well as increased average Coulombic efficiency in Li||Cu cells regardless of electrolyte formulation. The preferred lithium adsorption on Ag and AgLi over Cu is demonstrated with density functional theory calculations, which supports that Li is forming a gamma-phase alloy in the last stage rather than being deposited beneath the alloy. Lastly, this simple Cu foil modification enhances lithium reversibility and reduces its nucleation barrier, thus mitigating the capacity fade of a Cu||LiFePO 4 with reduced polarization.

25 ENERGY STORAGE↗

A solid electrolyte interphase to protect the sulfurized polyacrylonitrile (SPAN) composite for Li–S batteries: computational approach addressing the electrolyte/SPAN interfacial reactivity

This study addresses the reactivity of multiple solvents and lithium bis(fluorosulfonyl)imide (LiFSI) at the interface with sulfurized polyacrylonitrile (SPAN) in multiple stages of lithiation via ab initio molecular dynamics simulations. Here, both ether 1,3-dioxolane (DOL) and dimethyl carbonate (DMC) proved stable on the lithiated SPAN surface regardless of the lithium content, meaning that neither of these species likely contributes to growing a solid electrolyte interphase (SEI) coating to protect the SPAN composite. Conversely, cyclic carbonates, ethylene carbonate (EC) and fluoroethylene carbonate (FEC) are shown to be very active. The EC reduction occurs only on a highly lithiated surface with a 3.0 Li/S molar ratio, the equivalent of the SPAN composite in an over-discharge regime with voltages close to 0.0 V vs. Li/Li + . The FEC reduction starts with a 2.0 Li/S molar ratio and above, suggesting that FEC could act as a useful additive in electrolyte formulations with EC. Both EC and FEC follow multiple reduction mechanisms to produce complex reduction products and LiF in the FEC case. We provide a mechanistic description for each detected decomposition path. The LiFSI salt also proves reactive against the lithiated SPAN surface. The FSI – defluorination is the dominant reduction path. However, the SO 2 NSO 2 F – and SO 2 NSO 2 2– species proved stable against S–N cleavage. This behavior makes the LiFSI salt a potential candidate for SPAN-based Li–S batteries because it produces LiF without releasing SO 2 .

25 ENERGY STORAGE↗

Developing the Next Generation of High-Performance Solid-State Batteries

The project team conducted cutting-edge battery research on electrode materials, electrolyte formulations, and cell designs for next-generation rechargeable lithium metal batteries designed for high energy density and safety. The research has focused on two separate but related technologies: 1) a high-temperature lithium metal battery designed for extreme environments, and 2) a high-energy lithium metal battery designed for more general applications (including aerospace, defense, transportation, electronics, etc.). We took these projects from the conceptual stage (an idea on paper) all the way to high performing lab prototypes and early commercial-format pouch and cylindrical cell prototypes. Both chemistries were improved substantially in terms of materials compatibility, lithium metal cyclability, high-voltage stability, high-temperature stability, and scalability.

25 ENERGY STORAGE↗

Development of Electrolytes for Lithium-Ion Batteries in Wide Temperature Range Applications (Abstract)

The purpose of the proposed project is to improve the performances of Farasis’ commercial high-energy lithium ion batteries in a wide temperature range. PNNL has developed intellectual property about electrolyte additives and electrolyte formulations to greatly improve the low temperature discharge performance and the long-term cycling stability at room temperature and elevated temperatures of lithium ion batteries.

25 ENERGY STORAGE↗

Development of Electrolytes for Lithium Ion Batteries in Low Temperature Applications (Abstract)

The purpose of the proposed project is to improve the low temperature performance of Navitas Systems Advanced Solution Group’s (“Navitas”) commercial high-power lithium ion batteries for vehicle cold crank applications. PNNL has developed an intellectual property about electrolyte additives and electrolyte formulations to greatly improve the low temperature discharge performance and the long-term cycling stability at room temperature and elevated temperatures of lithium ion batteries.

25 ENERGY STORAGE↗

Development of Li–S Battery Cells with High Energy Density and Long Cycling Life

Lithium–sulfur (Li–S) batteries are considered one of the most promising next-generation energy storage technologies for electric vehicles, owing to their high energy density (up to three times greater than current lithium-ion batteries) and the low cost of sulfur (approximately 100 times cheaper than conventional cobalt oxide). However, several challenges hinder their commercial viability, including the electronically and ionically insulating nature of sulfur, polysulfide dissolution, and lithium dendrite growth. These issues significantly limit battery energy density and cycle life and must be addressed to enable successful commercialization. Current strategies involving porous carbon structures, additives, and electrocatalyst engineering have not fully resolved the polysulfide dissolution problem. While polysulfide-free cathode materials offer a promising solution, they often suffer from low sulfur content, leading to reduced discharge capacity and sluggish reaction kinetics. To overcome these limitations, we have developed novel soluble-polysulfide-free sulfur cathode active materials with a high sulfur content (>50 wt%). By integrating these cathodes with functional binders, optimized electrolyte formulations, and refined electrode fabrication techniques, we demonstrate Li–S batteries with both high energy density and long cycle life. This advancement brings the realization of low-cost, high-energy Li–S batteries significantly closer to practical application.

25 ENERGY STORAGE↗

Modular Autonomous Experimentation for Biological Applications (Full Report)

The Modular Autonomous Research System (MARS) was developed to address the pressing need for faster, more reliable, and more adaptable scientific discovery. Traditional experimentation is limited by manual labor, long cycle times, and fragmented data streams, which constrain the ability to explore complex chemical and materials design spaces. To overcome these limitations, we created an integrated, modular platform that combines laboratory robotics, diverse measurement instruments, and a central data infrastructure with artificial intelligence–driven decision-making. The system links liquid handling robots, robotic arms, and optical plate readers into a closed loop where experiments are executed automatically, data is analyzed in real time, and subsequent experimental conditions are adaptively chosen to maximize information gain. Over the course of the project, MARS was validated on two primary test cases—spectroscopic metal–ligand binding assays and peptide-directed mineralization—which highlighted the system’s ability to handle uncertainty and variability in experimental measurements. To further demonstrate modularity and extensibility, we also established additional testbeds in electrochemistry for catalyst discovery and electrolyte formulation for advanced batteries. The results show that MARS can reliably conduct autonomous campaigns with minimal human intervention, adapt to distinct scientific domains, and provide a scalable model for future self-driving laboratories. This work establishes new capabilities for modular, uncertainty-aware automation and directly supports the need for advanced, data-driven research platforms capable of accelerating discovery across a wide range of scientific and national security missions.

59 BASIC BIOLOGICAL SCIENCES↗

Advances in rechargeable lithium molybdenum disulfide batteries

The lithium molybdenum disulfide system as demonstrated in a C size cell, offers performance characteristics for applications where light weight and low volume are important. A gravimetric energy density of 90 watt hours per kilogram can be achieved in a C size cell package. The combination of charge retention capabilities, high energy density and a state of charge indicator in a rechargeable cell provides power package for a wide range of devices. The system overcomes the memory effect in Nicads where the full capacity of the battery cannot be utilized unless it was utilized on previous cycles. The development of cells with an advanced electrolyte formulation led to an improved rate capability especially at low temperatures and to a significantly improved life cycle.

Brandt, K.↗

Optimized Carbonate and Ester-Based Li-Ion Electrolytes

To maintain high conductivity in low temperatures, electrolyte co-solvents have been designed to have a high dielectric constant, low viscosity, adequate coordination behavior, and appropriate liquid ranges and salt solubilities. Electrolytes that contain ester-based co-solvents in large proportion (greater than 50 percent) and ethylene carbonate (EC) in small proportion (less than 20 percent) improve low-temperature performance in MCMB carbon-LiNiCoO2 lithium-ion cells. These co-solvents have been demonstrated to enhance performance, especially at temperatures down to 70 C. Low-viscosity, ester-based co-solvents were incorporated into multi-component electrolytes of the following composition: 1.0 M LiPF6 in ethylene carbonate (EC) + ethyl methyl carbonate (EMC) + X (1:1:8 volume percent) [where X = methyl butyrate (MB), ethyl butyrate EB, methyl propionate (MP), or ethyl valerate (EV)]. These electrolyte formulations result in improved low-temperature performance of lithium-ion cells, with dramatic results at temperatures below 40 C.

Smart, Marshall↗

High-Energy-Density, Low-Temperature Li/CFx Primary Cells

High-energy-density primary (nonrechargeable) electrochemical cells capable of relatively high discharge currents at temperatures as low as -40 C have been developed through modification of the chemistry of commercial Li/CFx cells and batteries. The commercial Li/CFx units are not suitable for high-current and low-temperature applications because they are current limited and their maximum discharge rates decrease with decreasing temperature. The term "Li/CFx" refers to an anode made of lithium and a cathode made of a fluorinated carbonaceous material (typically graphite). In commercial cells, x typically ranges from 1.05 to 1.1. This cell composition makes it possible to attain specific energies up to 800 Wh/kg, but in order to prevent cell polarization and the consequent large loss of cell capacity, it is typically necessary to keep discharge currents below C/50 (where C is numerically equal to the current that, flowing during a charge or discharge time of one hour, would integrate to the nominal charge or discharge capacity of a cell). This limitation has been attributed to the low electronic conductivity of CFx for x approx. 1. To some extent, the limitation might be overcome by making cathodes thinner, and some battery manufacturers have obtained promising results using thin cathode structures in spiral configurations. The present approach includes not only making cathodes relatively thin [.2 mils (.0.051 mm)] but also using sub-fluorinated CFx cathode materials (x < 1) in conjunction with electrolytes formulated for use at low temperatures. The reason for choosing sub-fluorinated CFx cathode materials is that their electronic conductivities are high, relative to those for which x > 1. It was known from recent prior research that cells containing sub-fluorinated CFx cathodes (x between 0.33 and 0.66) are capable of retaining substantial portions of their nominal low-current specific energies when discharged at rates as high as 5C at room temperature. However, until experimental cells were fabricated following the present approach and tested, it was not known whether or to what extent low-temperature performance would be improved.

Whitacre, Jay↗

Solvation Rule for Solid‐Electrolyte Interphase Enabler in Lithium‐Metal Batteries

Abstract Despite the exceptionally high energy density of lithium metal anodes, the practical application of lithium‐metal batteries (LMBs) is still impeded by the instability of the interphase between the lithium metal and the electrolyte. To formulate a functional electrolyte system that can stabilize the lithium‐metal anode, the solvation behavior of the solvent molecules must be understood because the electrochemical properties of a solvent can be heavily influenced by its solvation status. We unambiguously demonstrated the solvation rule for the solid‐electrolyte interphase (SEI) enabler in an electrolyte system. In this study, fluoroethylene carbonate was used as the SEI enabler due to its ability to form a robust SEI on the lithium metal surface, allowing relatively stable LMB cycling. The results revealed that the solvation number of fluoroethylene carbonate must be ≥1 to ensure the formation of a stable SEI in which the sacrificial reduction of the SEI enabler subsequently leads to the stable cycling of LMBs.

Su, Chi‐Cheung↗