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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

In-situ polymerized and crosslinked electrolytes with interchangeable Li/Na transport for battery applications

The next generation of batteries requires electrolytes with high conductivity, mechanical stability, good adhesion with electrodes, wide electrochemical windows, and scalability. The present study introduces a concept of doped quasi single-ion conducting copolymers based on methacrylate-(trifluoromethanesulfonyl)imide (TFSI) and vinyl ethylene carbonate which at room temperature are mechanically robust and display ionic conductivities of ~0.1 mS/cm. These electrolytes can be polymerized/crosslinked in-situ, making them easily implementable in current battery manufacturing technologies. They also allow for switching between Li + and Na + transport using simple chemistry procedures. To demonstrate their potential for battery applications, the newly developed Li conductors have been tested in symmetric cells, exhibiting overall impedance below 350 Ohm and plating/stripping stability up to 1 mA/cm 2 . Moreover, lithium metal batteries incorporating this electrolyte and high-voltage Lithium Nickel Manganese Cobalt Oxide (NMC) cathodes show good capacity retention (~79%) during charging and discharging for 80 cycles at C/10 rate and a Coulombic efficiency close to 100% in the entire measurement range. The compositional, mechanical and electrochemical versatility of these electrolytes opens new venues for the design of polymer-based batteries capable of fast charging and extended cycle life, aligning with the current global green energy storage strategies.

Polymer electrolytes↗
DOE OSTI2021

Principle in developing novel fluorinated sulfone electrolyte for high voltage lithium-ion batteries

A new class of fluorinated sulfones, β-fluorinated sulfones, were designed and synthesized as electrolyte solvents for high voltage lithium-ion batteries. While the oxidation potential of β-fluorinated sulfones is slightly lower than that of α-fluorinated sulfones, it is still significantly higher than the oxidation potential of regular sulfones, which already possess fairly high anodic stability. However, β-fluorinated sulfones exhibit a significant decrease in reduction potential compared to α-fluorinated sulfones, rendering them more stable towards graphite anodes. Moreover, the reduced lithium solvating power of β-fluorinated sulfones compared to regular sulfones mitigates the transition metal dissolution of cathodes. Taken together, these middle ground properties of β-fluorinated sulfone-based electrolytes enable the very stable long-term cycling of graphite||LiNi 0.6 Co 0.2 Mn 0.2 O 2 full cells. Finally, the outstanding performance of β-fluorinated sulfones designed by applying the “golden middle way” paves a new path for the development of an effective electrolyte system.

25 ENERGY STORAGE↗
DOE OSTI2021

Stabilizing the Solid‐Electrolyte Interphase with Polyacrylamide for High‐Voltage Aqueous Lithium‐Ion Batteries

Abstract The introduction of “water‐in‐salt” electrolyte (WiSE) concept opens a new horizon to aqueous electrochemistry that is benefited from the formation of a solid‐electrolyte interphase (SEI). However, such SEI still faces multiple challenges, including dissolution, mechanical damaging, and incessant reforming, which result in poor cycling stability. Here, we report a polymeric additive, polyacrylamide (PAM) that effectively stabilizes the interphase in WiSE. With the addition of 5 molar % PAM to 21 mol kg −1 LiTFSI electrolyte, a LiMn 2 O 4 ∥L‐TiO 2 full cell exhibits enhanced cycling stability with 86 % capacity retention after 100 cycles at 1 C. The formation mechanism and evolution of PAM‐assisted SEI was investigated using operando small angle neutron scattering and density functional theory (DFT) calculations, which reveal that PAM minimizes the presence of free water molecules at the anode/electrolyte interface, accelerates the TFSI − anion decomposition, and densifies the SEI.

Hou, Xu↗
DOE OSTI2026

Revealing the coupled oxygen and hypochlorite chemistry in saltwater batteries through operando pH and oxygen monitoring

Saltwater batteries (SWBs) that utilize Na⁺ ions from seawater have emerged as promising candidates for low-cost and sustainable grid-scale energy storage. To date, the cathode reaction mechanism of SWBs has been predominantly described by oxygen evolution and reduction reactions (OER/ORR). However, this assumption is valid only under idealized ocean-like conditions with constant pH and continuous oxygen replenishment. In practical systems, SWBs operate in finite volumes of saltwater, where saltwater composition dynamically evolves during cycling. Here, in this work, we systematically investigate the cathode reaction mechanisms of SWBs under finite saltwater conditions using galvanostatic cycling combined with electrochemical diagnostics and operando monitoring of dissolved oxygen and pH. Our results reveal that the cathode chemistry during SWB operation is considerably more complex than previously assumed. In addition to OER and ORR, hypochlorite formation and consumption reactions, along with pH-dependent switching of dominant reaction pathways, play critical roles. We further identify the sequence and relative contributions of these reactions throughout charge–discharge cycling. These findings provide a comprehensive and mechanistically grounded understanding of SWB cathode processes under relatively realistic cell design and operation condition. The insights presented here establish a new framework for interpreting SWB electrochemistry and offer directions for future strategies aimed at improving performance, stability, and practical viability.

Hypochlorite redox reaction↗
DOE OSTI2023

Electrospun Si and Si/C Fiber Anodes for Li-Ion Batteries

Due to structural changes in silicon during lithiation/delithiation, most Li-ion battery anodes containing silicon show rapid gravimetric capacity fade upon charge/discharge cycling. Herein, we report on a new Si powder anode in the form of electrospun fibers with only poly(acrylic acid) (PAA) binder and no electrically conductive carbon. The performance of this anode was contrasted to a fiber mat composed of Si powder, PAA binder, and a small amount of carbon powder. Fiber mat electrodes were evaluated in half-cells with a Li metal counter/reference electrode. Without the addition of conductive carbon, a stable capacity of about 1500 mAh/g (normalized to the total weight of the anode) was obtained at 1C for 50 charge/discharge cycles when the areal loading of silicon was 0.30 mgSi/cm2, whereas a capacity of 800 mAh/g was obtained when the Si loading was increased to ~1.0 mgSi/cm2. On a Si weight basis, these capacities correspond to >3500 mAh/gSi. The capacities were significantly higher than those found with a slurry-cast powdered Si anode with PAA binder. There was no change in fiber anode performance (gravimetric capacity and constant capacity with cycling) when a small amount of electrically conductive carbon was added to the electrospun fiber anodes when the Si loading was ≤1.0 mgSi/cm2.

Mondal, Abhishek N.↗
DOE OSTI2022

Machine-Learning Assisted Identification of Accurate Battery Lifetime Models with Uncertainty

Reduced-order battery lifetime models, which consist of algebraic expressions for various aging modes, are widely utilized for extrapolating degradation trends from accelerated aging tests to real-world aging scenarios. Identifying models with high accuracy and low uncertainty is crucial for ensuring that model extrapolations are believable, however, it is difficult to compose expressions that accurately predict multivariate data trends; a review of cycling degradation models from literature reveals a wide variety of functional relationships. Here, a machine-learning assisted model identification method is utilized to fit degradation in a stand-out LFP-Gr aging data set, with uncertainty quantified by bootstrap resampling. The model identified in this work results in approximately half the mean absolute error of a human expert model. Models are validated by converting to a state-equation form and comparing predictions against cells aging under varying loads. Parameter uncertainty is carried forward into an energy storage system simulation to estimate the impact of aging model uncertainty on system lifetime. The new model identification method used here reduces life-prediction uncertainty by more than a factor of three (86% ± 5% relative capacity at 10 years for human-expert model, 88.5% ± 1.5% for machine-learning assisted model), empowering more confident estimates of energy storage system lifetime.

25 ENERGY STORAGE↗
DOE OSTI2020

Solvent-Mediated Synthesis of Amorphous Li 3 PS 4 /Polyethylene Oxide Composite Solid Electrolytes with High Li + Conductivity

Solvent-mediated routes have emerged as an effective, scalable, and low-temperature method to fabricate sulfide-based solid-state electrolytes. However, tuning the synthesis conditions to optimize the electrolyte’s morphology, structure, and electrochemical properties is still underexplored. Here, we report a new class of composite solid electrolytes (SEs) containing amorphous Li 3 PS 4 synthesized in situ with a poly(ethylene oxide) (PEO) binder using a one-pot, solvent-mediated route. The solvent and thermal processing conditions have a dramatic impact on the Li 3 PS 4 structure. Conducting the synthesis in tetrahydrofuran resulted in crystalline β-Li 3 PS 4 whereas acetonitrile led to amorphous Li 3 PS 4 . Annealing at 140 °C increased the Li + conductivity of an amorphous composite (Li 3 PS 4 + 1 wt % PEO) by 3 orders of magnitude (e.g., from 4.5 × 10 –9 to 8.4 × 10 –6 S/cm at room temperature) because of: (i) removal of coordinated solvent and (ii) rearrangement of the polyanionic network to form P 2 S 7 4– and PS 4 3– moieties. The PEO content in these composites should be limited to 1–5 wt % to ensure reasonable Li+ conductivity (e.g., up to 1.1 × 10 –4 S/cm at 80 °C) while providing enough binder to facilitate scalable processing. Here, the results of this study highlight a new strategy to suppress crystallization in sulfide-based SEs, which has important implications for solid-state batteries.

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

Low-cost & Energy Dense Batteries for Transportation

The project sought to explore development of novel polymer separator materials and additives for Li-S and Li-ion batteries that would solve critical failure modes and performance bottlenecks for these chemistries. This technology presented significant advanced manufacturing challenges and opportunities in getting to scale, including materials synthesis scale-up, large-area polymer processing techniques, electrode formulation, and the development of coin and pouch cells for electrochemical energy storage. Specific accomplishments included synthesis of organic molecular and polymer materials designed to solve outstanding challenges in electrochemical cells. The primary focus of new materials design was aimed at improving longevity, power, cost reduction, and environmental sustainability of said electrochemical devices. The project also involved assembly and characterization of electrochemical devices with standard galvanostatic and potentiostatic techniques as well as electrochemical impedance spectroscopy.

25 ENERGY STORAGE↗
DOE OSTI2021

Current Status and Prospects of Solid-State Batteries as the Future of Energy Storage

Solid-state battery (SSB) is the new avenue for achieving safe and high energy density energy storage in both conventional but also niche applications. Such batteries employ a solid electrolyte unlike the modern-day liquid electrolyte-based lithium-ion batteries and thus facilitate the use of high-capacity lithium metal anodes thereby achieving high energy densities. Despite this promise, practical realization and commercial adoption of solid-state batteries remain a challenge due to the underlying material and cell level issues that needs to be overcome. This chapter thus covers the specific challenges, design principles and performance improvement strategies pertaining to the cathode, solid electrolyte and anode used in solid state batteries. Perspectives and outlook on specific applications that can benefit from the successful implementation of solid-state battery systems are also discussed. Overall, this chapter highlights the potential of solid-state batteries for successful commercial deployment in next generation energy storage systems.

Dixit, Marm↗
DOE OSTI2023

Indolo[2,3- b ]quinoxaline as a Low Reduction Potential and High Stability Anolyte Scaffold for Nonaqueous Redox Flow Batteries

Redox flow batteries (RFBs) are a promising stationary energy storage technology for leveling power supply from intermittent renewable energy sources with demand. A central objective for the development of practical, scalable RFBs is to identify affordable and high-performance redox-active molecules as storage materials. Herein, we report the design, synthesis, and evaluation of a new organic scaffold, indolo[2,3-b]quinoxaline, for highly stable, low-reduction potential, and high-solubility anolytes for nonaqueous redox flow batteries (NARFBs). The mixture of 2- and 3-(tert-butyl)-6-(2-methoxyethyl)-6H-indolo[2,3-b]quinoxaline exhibits a low reduction potential (-2.01 V vs Fc/Fc + ), high solubility (>2.7 M in acetonitrile), and remarkable stability (99.86% capacity retention over 49.5 h (202 cycles) of H-cell cycling). This anolyte was paired with N-(2-(2-methoxyethoxy)-ethyl)phenothiazine (MEEPT) to achieve a 2.3 V all-organic NARFB exhibiting 95.8% capacity retention over 75.1 h (120 cycles) of cycling.

25 ENERGY STORAGE↗
DOE OSTI2023

Optimal Power Management of Battery Energy Storage Systems via Ensemble Kalman Inversion

Optimal power management of battery energy storage systems (BESS) is crucial for their safe and efficient operation. Numerical optimization techniques are frequently utilized to solve the optimal power management problems. However, these techniques often fall short of delivering real-time solutions for large-scale BESS due to their computational complexity. To address this issue, this paper proposes a computationally efficient approach. We introduce a new set of decision variables called power-sharing ratios corresponding to each cell, indicating their allocated power share from the output power demand. We then formulate an optimal power management problem to minimize the system-wide power losses while ensuring compliance with safety, balancing, and power supply-demand match constraints. To efficiently solve this problem, a parametrized control policy is designed and leveraged to transform the optimal power management problem into a parameter estimation problem. We then implement the ensemble Kalman inversion to estimate the optimal parameter set. The proposed approach significantly reduces computational requirements due to 1) the much lower dimensionality of the decision parameters and 2) the estimation treatment of the optimal power management problem. Finally, we conduct extensive simulations to validate the effectiveness of the proposed approach. The results show promise in accuracy and computation time compared with explored numerical optimization techniques.

Farakhor, Amir↗
DOE OSTI2025

High-heat transfer lithium-ion batteries: A new era in battery thermal management

Despite advances in lithium-ion battery technology, critical challenges remain that must be addressed to accelerate electric vehicle (EV) adoption and global energy transformation. Significantly improved battery thermal management (BTM) is key to overcoming these challenges. BTM approaches focus on increasing heat transfer coefficients via air, liquid, or refrigerant cooling, but less attention is given to reducing the battery's thermal resistance, a major bottleneck for heat transfer. This work introduces a novel approach to reduce battery thermal resistance by integrating in-plane heat transfer with optimized cell geometry, minimized thermal resistances, and reduced interfacial resistances, representing a departure from previous methods. The standard prismatic can cell incorporating this technology is referred to as the high heat transfer (HHT) battery. An equivalent resistance battery thermal model is developed for speed and accuracy, validated against experimental data in the literature, demonstrating strong correlation and ensuring reliable predictions for real-world performance. Thermal performance metrics of the conventional and HHT batteries are compared using a parametric study with air, liquid, and refrigerant boundary conditions across a range of aspect ratios. The HHT battery shows a heat removal rate up to 20 times higher than a conventional battery. These findings suggest that HHT technology could be transformative for EV battery performance, enabling fast charging, mitigating thermal runaway, extending battery life, reducing cold-weather power loss, increasing reliability, lowering costs, and enabling higher energy density, all critical for EV adoption and energy transformation. Future work will focus on prototyping and real-world testing to refine these findings for commercial-scale applications.

25 ENERGY STORAGE↗
DOE OSTI2020

Process design tools and techno-economic analysis for capacitive deionization

Capacitive deionization (CDI) devices use cyclical electrosorption on porous electrode surfaces to achieve water desalination. Process modeling and design of CDI systems requires accurate treatment of the coupling among input electrical forcing, input flow rates, and system responses including salt removal dynamics, water recovery, energy storage, and dissipation. Techno-economic analyses of CDI further require a method to calculate and compare between a produced commodity (e.g. desalted water) versus capital and operational costs of the system. In this work, we demonstrate a new modeling and analysis tool for CDI developed as an installable Matlab program that allows direct numerical simulation of CDI dynamics and calculation of key performance and cost parameters. The program is provided for free and is used to run open-source Simulink models. The Simulink environment sends information to the program and allows for a drag and drop design space where users can connect CDI cells to relevant periphery blocks such as grid energy, battery, solar panel, waste disposal, and maintenance/labor cost streams. The program allows for simulation of arbitrary current forcing and arbitrary flow rate forcing of one or more CDI cells. We employ validated well-mixed reactor formulations together with a non-linear circuit model formulation that can accommodate a variety of electric double layer sub-models (e.g. for charge efficiency). The program includes a graphical user interface (GUI) to specify CDI plant parameters, specify operating conditions, run individual tests or parameter batch-mode simulations, and plot relevant results. The techno-economic models convert among dimensional streams of species (e.g. feed, desalted water, and brine), energy, and cost and enable a variety of economic estimates including levelized water costs.

42 ENGINEERING↗
DOE OSTI2024

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↗
DOE OSTI2026

Development of Next Generation Hierarchical Hybrid Cu-Si anode Batteries via Direct-Ink Writing Application: End of (6th) Month Report - November 2025

Sustainable renewable energy continues to be in dire need to effectively combat global warming. Emerging technology for electric vehicles/ devices remains in high demand that is not only lower in cost, more efficient, but safer in comparison to commercial materials on the market. Although first-generation lithium-ion batteries have exhibited extensive commercial application, conventional graphite no longer meets this increasing demand as an efficient anode material. Due to the fact that graphite has a subpar theoretical specific capacity (372 mAh g -1 ), thus significant limitations in rate capability (for potential faster charging at higher C-rates currently commercially available.). Alternatively, silicon has gained significant attention as a superior candidate to potentially surpass graphite. Due to silicon’s exceedingly high theoretical capacity (4,200 mAh g -1 ) in comparison to standard graphite, its abundance thus in turn it’s low-cost, in addition to exhibiting a significantly low working potential (< 0.4 V vs Li/Li + ). However, one of the main (and most detrimental) challenges is silicon’s tendency to expand in volume (> 300%) upon discharge as it begins the lithiation process. As a direct result, it causes not only for the particles to both crack and pulverize under mechanical stress as the volume continues to expand and contract during cycling. Upon assembling the cell, it needs to undergo ‘charging’ for initially discharging/ ‘activating’ the cell, otherwise commonly known as the ‘formation’ step. As a result a solid electrolyte interface (SEI) layer begins to form at the anode surface because some of the electrolyte begins to react during the formation process. However, this (SEI) layer is deemed as a ‘protective’ interlayer because in theory it prevents further reaction as the cell continues to cycle. However, due to the volume change it causes significant degradation at the interface. As cracking starts to occur at the anode surface, it results in a ‘new’ altered surface with each cycle that causes further reaction with the electrolyte as a byproduct quickly consuming active Li/ and more electrolyte. Thus, fracturing this ‘protective layer,’ causing significantly higher impedance as a result, and in turn a decline in capacity due to active Li-loss. In addition to the active material exfoliating off from the current collector, further contributing to the steady decline in capacity and overall performance. Current state of the art Si-anode batteries on the market range between a maximum content of 5-10 Si wt%. It has been previously reported Tesla has utilized SiO x -C anodes containing 5 wt% Si within their ‘Model 3/ Model X’ electric vehicles. However, more recent ‘Model 3’ vehicles have started to incorporate 10 Si wt%, in which they were able to increase their energy density upwards by approximately 30%. Recent effort has been focused on continuing to increase the wt% of Si being utilized, eventually to 100 wt% of Si, to maximize the energy density even further.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Complementary Effects of Mg and Cu Incorporation in Stabilizing the Cobalt-Free LiNiO 2 Cathode for Lithium-Ion Batteries

Since the discovery of LiNiO 2 several decades ago, a new era of electric vehicles demanding high-energy-density lithium-ion batteries (LIBs) has recently rebooted the interest in this cathode material to eliminate the dependence on expensive and scarcely available cobalt. However, LiNiO 2 has been plagued by cycle instability, thermal instability, and air instability. We present here an exploration of the mutual interaction of magnesium and copper in stabilizing the cobalt-free LiNiO 2 cathode. Although Mg doping is beneficial for the robustness of the bulk structure of LiNiO 2 , surface characterization results of Mg-doped LiNiO 2 implies the need for further surface protection. To that end, we have incorporated Cu in addition to Mg in that Cu stabilizes the surface of Mg-doped LiNiO 2 by forming a protective stable surface layer without harming the bulk. Notable variations of the surface residual lithium composition (Li Li 2 CO 3 /Li LiOH ) along with the incorporation of stabilizers are also discussed. The harmony between Mg and Cu with as little as 0.5 atom % Mg and 0.3 atom % Cu significantly enhances the specific energy and cycle life of LiNiO 2 . Furthermore, this study demonstrates how the co-incorporation of optimal dopants can help stabilize both the bulk and surface and provides new insights toward developing cobalt-free layered oxide cathodes for high-energy-density LIBs.

25 ENERGY STORAGE↗
DOE OSTI2021

The Quest for Stable Potassium‐Ion Battery Chemistry

Abstract Potassium‐ion batteries (KIBs) have attracted wide interest for energy storage because of the abundance of the electrode materials involved; however, their electrochemical performances are far behind what can be achieved from lithium‐ion batteries (LIBs) or sodium‐ion batteries (SIBs). Herein, key promising electrode and electrolyte materials for potassium‐ion batteries are identified, the coupled electrochemical reactions in the cell are investigated, and the compatibility between different materials is demonstrated to play the most important role. K 2 Mn[Fe(CN) 6 ] cathode can deliver a high capacity of ≈125 mAh g −1 and exceptional cycling stability over 61 000 cycles (≈9 months) if the side reactions from the anode can be prevented. Graphite is a good anode material but is subjected to degradation in traditional carbonate electrolytes. New concentrated electrolytes are developed and evaluated. A stable KIB system is demonstrated by coupling a stable K 2 Mn[Fe(CN) 6 ] cathode, a prepotassiated graphite anode with a concentrated electrolyte to achieve a high energy density of ≈260 Wh kg −1 (based on the active mass of cathode and anode) and good cycling of over 1000 cycles.

Wu, Xianyong↗