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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Microgrid Power Flow Control with Integrated Battery Management Functions

This paper presents a microgrid power flow control for islanded microgrids consisting of photovoltaic (PV) system, battery energy storage system (BESS) and diesel generator. The proposed control ensures automatic coordination among the microgrid units. To achieve the coordination, the local control of PV system and BESS are configured to regulate power flow without relying on communications. The generator is controlled as the back-up source and its connection depends on battery state of charge (SOC). A state machine with hysteresis settings is used to trigger smooth transition among operation modes. Not only does the proposed controller consider battery SOC and power limits, but also integrates three-stage charging control as battery charging mechanism, which is not considered in the existing literature. The proposed control is validated for an islanded hybrid microgrid using an OPAL-RT real-time simulator.

Long, Qian↗
DOE OSTI2025

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

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

25 ENERGY STORAGE↗
DOE OSTI2022

Grand challenges and opportunities in next-generation batteries and technologies

The development of advanced Li-ion batteries and technologies generally addresses one of four objectives: 1) create a higher volumetric energy density and/or specific energy/power, 2) impart intrinsically safer chemistry, 3) produce speedier charging, and 4) utilize less expensive batteries but with competitive/near-competitive performances. Certainly, other factors can play a role as well, dependent on the type of market targeted and the availability of global supplies; however, for widespread adoption, the above points/criteria remain salient. Li-ion is commercially well entrenched in industry for communication and transportation (EV) applications. Nowadays, slight iterations, mostly electrolyte-defined, are incrementally improving safety, cost, and cycle or calendar life. The last point, calendar life, is one that is often overlooked for very high-energy dense Li-ion batteries, because of their reactivity at higher charge (OCV conditions) and elevated temperatures. While cycle life is debated with respect to capacity/energy performance decline, attempts to re-purpose the battery itself or recycle the internal chemical constituents at end of life have considerably grown in the field. Hopefully, energy-neutral processes are also considered in the recycling loop. Nevertheless, the energy storage arena is quite large, and this pursuit hinges on pushing the field in one of many directions, toward loftier objectives. The pursuit of next-generation batteries and technologies must thus delve deeper into new and novel chemistry and electrochemistry to create a world with a neutral, carbon-free environment, and one that is solely sufficient on energy-producing renewables such as the Sun and wind-derived means. The application of electricity and chemistry within our world is thus a 21st century opus.

25 ENERGY STORAGE↗
DOE OSTI2020

A high-capacity cathode for rechargeable K-metal battery based on reversible superoxide-peroxide conversion

Abstract As a promising low-cost energy storage device, the development of a rechargeable potassium-ion battery (KIB) is severely hindered by the limited capacity of cathode candidates. Regarded as an attractive capacity-boosting strategy, triggering the O-related anionic redox activity has not been achieved within a sealed KIB system. Herein, in contrast to the typical gaseous open K-O2 battery (O2/KO2 redox), we originally realize the reversible superoxide/peroxide (KO2/K2O2) interconversion on a KO2-based cathode. Controlled within a sealed cell environment, the irreversible O2 evolution and electrolyte decomposition (induced by superoxide anion (O2−) formation) are effectively restrained. Rationally controlling the reversible depth-of-charge at 300 mAh/g (based on the mass of KO2), no obvious cell degradation can be observed during 900 cycles. Moreover, benefitting from electrolyte modification, the KO2-based cathode is coupled with a limited amount of K-metal anode (merely 2.5 times excess), harvesting a K-metal full-cell with high energy efficiency (∼90%) and long-term cycling stability (over 300 cycles).

25 ENERGY STORAGE↗
DOE OSTI2023

Cinematic reflectometry using QIKR, the quite intense kinetics reflectometer

The Quite Intense Kinetics Reflectometer (QIKR) will be a general-purpose, horizontal-sample-surface neutron reflectometer. Reflectometers measure the proportion of an incident probe beam reflected from a surface as a function of wavevector (momentum) transfer to infer the distribution and composition of matter near an interface. The unique scattering properties of neutrons make this technique especially useful in the study of soft matter, biomaterials, and materials used in energy storage. Exploiting the increased brilliance of the Spallation Neutron Source Second Target Station, QIKR will collect specular and off-specular reflectivity data faster than the best existing such machines. It will often be possible to collect complete specular reflectivity curves using a single instrument setting, enabling “cinematic” operation, wherein the user turns on the instrument and “films” the sample. Samples in time-dependent environments (e.g., temperature, electrochemical, or undergoing chemical alteration) will be observed in real time, in favorable cases with frame rates as fast as 1 Hz. Cinematic data acquisition promises to make time-dependent measurements routine, with time resolution specified during post-experiment data analysis. This capability will be deployed to observe such processes as in situ polymer diffusion, battery electrode charge–discharge cycles, hysteresis loops, and membrane protein insertion into lipid layers.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Impacts of hybridization and forecast errors on the probabilistic capacity credit of batteries

Battery storage is increasingly identified as being among the least-cost mix of technologies in the evolving U.S. electricity mix. This study explores the marginal capacity credit of batteries using a probabilistic, reliability-based, effective firm capacity method, which we apply for multiple battery power ratings, durations, coupling types, deployment locations, and dispatch profiles within a test system that is based on the Texas Interconnection in the year 2024. We find that the capacity credits for all battery durations depend on their ability to predict the timing of reliability events. Even 1-2 h forecast errors - resulting in early or delayed battery discharging relative to the onset of a reliability event - lead pronounced capacity credit reductions, especially for 4-h duration batteries. Coupling batteries with solar mitigates the uncertainty associated with a shorter-duration battery's availability during reliability events, primarily due to the relatively high solar capacity credit in our test system. Coupled (or hybrid) system designs with oversized solar arrays, the ability to charge the coupled battery with grid energy, and larger batteries lead to the greatest capacity credit benefits of hybridization. We do not see evidence that the hybrid capacity credit exceeds the sum of the separate battery and solar capacity credits.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Sequential Fe Reduction, Involving Two Different Fe + Intermediates, in the Conversion Reaction of Prussian Blue in Lithium-Ion Batteries

In this work, ex situ X-ray absorption spectroscopy and in operando 57 Fe-Mössbauer spectroscopy measurements are conducted to examine in detail the ongoing reaction mechanism of potassium Prussian blue (K-PB) within the narrow [1.6–0.005 V] voltage range, and so to determine whether this material truly undergoes a conversion reaction, as we proposed elsewhere. The generation of Fe 0 is confirmed by both techniques, finding that 40 to 58% of iron gets reduced to metallic iron at 5 mV. The elucidation of the mechanism by in situ 57 Fe-Mössbauer spectroscopy further reveals a sequential process for the reduction (lithiation) of the two different iron species initially present in Prussian blue. Both high-spin Fe 2+ –N first and low-spin Fe II –C next go through the unusual Fe 1+/I formal oxidation state during the reduction process, before forming surface Fe 0 nanoparticles (NPs) below 0.48 V. Upon charge, Fe 0 NPs preferentially oxidizes into Fe + –N. Interestingly, these surprising Fe + species play an important role in decreasing the overpotential during the charge (delithiation) process with respect to other conversion systems.

25 ENERGY STORAGE↗
DOE OSTI2024

Cu Doping Increases Capacity Retention in LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) by Altering the Potential of the Ni-Based Redox Couple and Inhibiting Particle Pulverization

To discern the influence of Cu 2+ as a dopant on both the structural and electrochemical characteristics of LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622), Cu 2+ (aq) was added to the coprecipitation synthesis from the constituent ions. At 5 mol % Cu 2+ , a single-phase Cu-NMC product results, evidenced by an increase in d-spacing along the [003] and [104] directions and a slight increase in the crystal volume of the R–3m hexagonal (rock-salt superstructure) lattice. XRD data and high-resolution TEM imaging support Cu 2+ doping primarily on the transition metal 3b Wyckoff sites. Here, galvanostatic cycling of Cu-NMC shows a reversible gravimetric capacity of 102 mAh/g compared to 136 mAh/g for undoped NMC. Despite the lower capacity, the discharge capacity retention of Cu-NMC is 89% after 100 cycles compared to only 70% for NMC. XPS analysis reveals that this lower capacity is due to an increase in the concentration of Ni 3+ ions at the surface, while XRD data collected at the top and bottom of charge show a smaller decrease in crystalline domain size for Cu-NMC (40.5% decrease) compared to NMC (74.7% decrease), translating to pulverization of the secondary particles.

25 ENERGY STORAGE↗
DOE OSTI2023

Non-polar ether-based electrolyte solutions for stable high-voltage non-aqueous lithium metal batteries

The electrochemical instability of ether-based electrolyte solutions hinders their practical applications in high-voltage Li metal batteries. To circumvent this issue, here, we propose a dilution strategy to lose the Li + /solvent interaction and use the dilute non-aqueous electrolyte solution in high-voltage lithium metal batteries. We demonstrate that in a non-polar dipropyl ether (DPE)-based electrolyte solution with lithium bis(fluorosulfonyl) imide salt, the decomposition order of solvated species can be adjusted to promote the Li + /salt-derived anion clusters decomposition over free ether solvent molecules. This selective mechanism favors the formation of a robust cathode electrolyte interphase (CEI) and a solvent-deficient electric double-layer structure at the positive electrode interface. When the DPE-based electrolyte is tested in combination with a Li metal negative electrode (50 μm thick) and a LiNi 0.8 Co 0.1 Mn 0.1 O 2 -based positive electrode (3.3 mAh/cm 2 ) in pouch cell configuration at 25 °C, a specific discharge capacity retention of about 74% after 150 cycles (0.33 and 1 mA/cm 2 charge and discharge, respectively) is obtained.

25 ENERGY STORAGE↗
NASA NTRS1980

Improvement and scale-up of the NASA Redox storage system

A preprototype full-function 1.0 kW Redox system (2 kW peak) with 11 kW storage capacity has been built and integrated with the NASA/DOE photovoltaic test facility. The system includes four substacks of 39 cells each (1/3 sq ft active area) which are connected hydraulically in parallel and electrically in series. An open circuit voltage cell and a set of rebalance cells are used to continuously monitor the system state of charge and automatically maintain the anode and cathode reactants electrochemically in balance. Technological advances in membrane and electrodes and results of multicell stack tests are reviewed.

Reid, M. A.↗
NASA NTRS1992

Fuel cell technology for lunar surface operations

Hydrogen-oxygen fuel cells have been shown, in several NASA and contractor studies, to be an enabling technology for providing electrical power for lunar bases, outposts, and vehicles. The fuel cell, in conjunction with similar electrolysis cells, comprises a closed regenerative energy storage system, commonly referred to as a regenerative fuel cell (RFC). For stationary applications, energy densities of 1,000 watt-hours per kilograms an order of magnitude over the best rechargeable batteries, have been projected. In this RFC, the coupled fuel cell and electrolyzer act as an ultra-light battery. Electrical energy from solar arrays 'charges' the system by electrolyzing water into hydrogen and oxygen. When an electrical load is applied, the fuel cell reacts the hydrogen and oxygen to 'discharge' usable power. Several concepts for utilizing RFC's, with varying degrees of integration, have been proposed, including both primary and backup roles. For mobile power needs, such as rovers, an effective configuration may be to have only the fuel cell located on the vehicle, and to use a central electrolysis 'gas station'. Two fuel cell technologies are prime candidates for lunar power system concepts: alkaline electrolyte and proton exchange membrane. Alkaline fuel cells have been developed to a mature production power unit in NASA's Space Shuttle Orbiter. Recent advances in materials offer to significantly improve durability to the level needed for extended lunar operations. Proton exchange membrane fuel cells are receiving considerable support for hydrospace and terrestrial transportation applications. This technology promises durability, simplicity, and flexibility.

Deronck, Henry J.↗
DOE OSTI2026

Mechanistic insights into CO 2 capture and electrochemical conversion in nonaqueous Na–CO 2 batteries

Developing efficient energy storage systems that capture and convert CO 2 is critical for mitigating carbon emissions. Here, we report a Na–CO 2 battery with ruthenium dioxide (RuO 2 ) cathode catalysts and propane-1,3-diamine (PDA) as an electrolyte additive to enhance CO 2 capture and conversion efficiency. The integration of CO 2 adsorption and electrochemical reduction facilitates activation of the inert CO 2 molecule and circumvents gas–solid–liquid ternary-phase reactions at the interface. We employed density functional theory (DFT) calculations to systematically unravel the reaction mechanisms and energetics governing CO 2 reduction, both with and without PDA. Our results reveal an energetically favorable pathway toward the formation of Na 2 CO 3 and C as final discharge products, rather than sodium oxalate (Na 2 C 2 O 4 ). The CO 2 –amine adduct facilitates charge transfer from PDA to CO 2 , which results in activation of CO 2 . The kinetics of CO 2 conversion and regeneration of PDA were found to be significantly enhanced on the RuO 2 surface compared to the bulk electrolyte. More importantly, pre-activation of CO 2 via the amine–CO 2 adduct lowers the total overpotential to 2.44 V, compared to 3.13 V without PDA. This study provides fundamental insights into CO 2 electroreduction in Na–CO 2 batteries and underscores the promise of electrolyte engineering for sustainable CO 2 utilization and high-performance energy storage.

25 ENERGY STORAGE↗
DOE OSTI2024

PV-BESS DC-Series Integration for Regulated DC Systems

DC-series integration introduces a novel approach to seamlessly integrate a solar photovoltaic (PV) array and a battery energy storage (BES) in series. This system, referred to as the PV-integrated battery energy storage system—dc series (PVBESS-DCS), simplifies integration and enhances power density by leveraging the inherent voltage-source characteristics of batteries and adopting the concept of partial power processing. However, addressing voltage variations of a PV array and a BES under different operational conditions remains a challenge to apply the PVBESS-DCS to a regulated dc system, where the dc-bus voltage is fixed. This article proposes a PVBESS-DCS solution tailored for regulated dc systems. Within this framework, we present a controllable series voltage source compensating for the voltage differences between the PV and BES sources and the dc bus. Thus, the system can perform PV maximum power point tracking and curtailment control while charging and discharging BES and connected to a regulated dc bus. Additionally, we present a single-stage multiport partial power processing dc–dc converter designed for the proposed PVBESS-DCS. It utilizes a triple active bridge dc–dc converter topology. Finally, this article presents operating principles, control strategies, simulation results, and experimental findings of the proposed PVBESS-DCS for regulated dc systems.

25 ENERGY STORAGE↗
DOE OSTI2021

Distinct Mechanisms and Hydricities of Cp*Ir-Based CO 2 Hydrogenation Catalysts in Basic Water

Transition metal-catalyzed reversible hydrogenation of CO 2 to formate in aqueous solutions under ambient conditions is an attractive environmentally friendly strategy for the storage and transportation of H 2 in a liquid chemical form. Here, mechanistic details for the CO 2 hydrogenation by a series of pentamethylcyclopentadienyl iridium(III) (Cp*Ir) complexes with picolinamidate ligands are investigated through density functional theory and kinetic isotope effects (KIEs) calculations. Additionally, adopting a speciation approach at a pH of 8.2, CO 2 hydrogenation mechanisms of 37 distinct protonation states and conformers of Cp*Ir type complexes are investigated. This imposes a challenging test for the computational modeling in terms of providing a consistent correlation with experimental kinetics and KIE studies of multiple catalysts instead of a single complex. Overall, H 2 heterolysis to generate an iridium hydride intermediate was demonstrated to be the rate determining step, which proceeds via distinct pathways depending on the stereoelectronic properties of the ligand. A peculiar iridium dihydride route was also uncovered, which could be optimized to accelerate the H 2 heterolysis. We have further computed the thermodynamic and kinetic hydricities of 74 complexes with [Cp*Ir(L)(H)] q ( q = -1, 0, 1 depending on the ligand charge by deprotonation or protonation events) general formula. Hydricity values do not show any noticeable correlation with the thermodynamics (Δ G ) of [Cp*Ir(L)(HCO 2 – )] formation but exhibit linear correlation with the kinetics (Δ G ‡ ) of electrophilic CO 2 attack to iridium hydride species, especially when the charges and local structural effects of the metal hydrides are considered. Insights gained in this study on (i) the factors determining the preferred pathway for the rate-limiting H 2 heterolysis step, (ii) the correlation between thermodynamic hydricity and the kinetics of CO 2 insertion to iridium hydride species, and (iii) mechanistic analysis via combination of free energy profiles and KIE studies for a series of iridium catalysts will provide guidelines for the design of next-generation catalysts for the reversible H 2 storage through CO 2 utilization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Colocalized Raman spectroscopy – scanning electrochemical microscopy investigation of redox flow battery dialkoxybenzene redoxmer degradation pathways

Non-aqueous redox flow batteries offer high voltages for grid-level energy storage technologies. However, decomposition of the redoxmers - redox-active molecules that make up the anolyte and catholyte in the negative and positive cell compartments - is an important challenge to overcome for long-term storage. Here, we present a spectroelectrochemical study of the catholyte candidate 2,3-dimethyl-1,4-dialkoxybenzene (C7) and its decomposition mechanisms in the presence of a model nucleophilic base, pyridine. We utilize colocalized Raman microscopy and scanning electrochemical microscopy (Raman-SECM) to quantify the chemical rates of decom-position and qualitatively identify the reaction intermediates and products. A detailed study on how the Raman-SECM parameters (electrode distance, substrate electrode, and laser focal height) influence the Raman signal of the charged catholyte C7 ∙+ is presented. Using optimized conditions, we monitored the deprotonation of C7 ∙+ via Raman spectroscopy and the subsequent hydrogen abstraction from solvent molecules to regenerate C7 via electrochemistry. Finite element modeling was used to fit electrochemical and spectroscopic data, quantifying the deprotonation rates as k dep = 2000 and 700 L mol -1 s -1 and abstraction rates as k abs = 0.5 and 0.2 s - 1 in propylene carbonate and acetonitrile solvents, respectively. Our results show the value of spatiotemporal reso-lution in evaluating the chemical and electrochemical behavior of materials for redox flow batteries.

25 ENERGY STORAGE↗
DOE OSTI2021

Quantum chemical calculations of lithium-ion battery electrolyte and interphase species

Abstract Lithium-ion batteries (LIBs) represent the state of the art in high-density energy storage. To further advance LIB technology, a fundamental understanding of the underlying chemical processes is required. In particular, the decomposition of electrolyte species and associated formation of the solid electrolyte interphase (SEI) is critical for LIB performance. However, SEI formation is poorly understood, in part due to insufficient exploration of the vast reactive space. The Lithium-Ion Battery Electrolyte (LIBE) dataset reported here aims to provide accurate first-principles data to improve the understanding of SEI species and associated reactions. The dataset was generated by fragmenting a set of principal molecules, including solvents, salts, and SEI products, and then selectively recombining a subset of the fragments. All candidate molecules were analyzed at the ω B97X-V/def2-TZVPPD/SMD level of theory at various charges and spin multiplicities. In total, LIBE contains structural, thermodynamic, and vibrational information on over 17,000 unique species. In addition to studies of reactivity in LIBs, this dataset may prove useful for machine learning of molecular and reaction properties.

25 ENERGY STORAGE↗
DOE OSTI2021

Interfaces in all solid state Li-metal batteries: A review on instabilities, stabilization strategies, and scalability

With technological advancements in electrochemical energy storage systems increasing at a spectacular rate, batteries equipped with a lithium anode hold the key towards unlocking high energy densities. While lithium-ion batteries with layered anodes (e.g. graphite) and liquid organic electrolytes have been ubiquitous in portable electronics, electric vehicles, and grid applications, all solid-state batteries that use the combination of a lithium anode and a solid-state electrolyte (SSE) will further advance the present technology. The underlying challenge that limits the successful development of all solid-state batteries (ASSBs) is dictated largely by the highly reactive interfaces at the anode/SSE and the cathode/SSE interface. In this comprehensive review, we present an overview of the following: (i) characterization of the electrode/SSE interface via multimodal characterization, which include X-ray-, electron-, neutron-, optical-, and computation-based methods: (ii) parasitic reactions that occur from chemical, mechanical or electrochemical instabilities and interfacial engineering strategies for improving the stability of these interfaces classified by the class of inorganic SSEs (sulfide-, NASICON-, and garnet-type SSEs); (iii) laboratory-to-industry scale processing perspectives of SSEs; (iv) scalability and manufacturing aspects of current interfacial strategies; and (v) the prospects of all ASSBs within the context of extreme fast charging capability. Here, this review seeks to highlight key efforts in the field of ASSBs, by focusing particularly on stabilizing the electrode/SSE interfaces, which will help to bridge fundamental studies to technological relevance.

25 ENERGY STORAGE↗
DOE OSTI2022

Novel Co‐Catalytic Activities of Solid and Liquid Phase Catalysts in High‐Rate Li‐Air Batteries

Abstract Li‐air batteries are considered strong candidates for the next‐generation energy storage systems designed for electrical transportation. However, low cyclability and current rates are two major drawbacks that hinder them from further realization. These issues necessitate the discovery of novel materials to significantly enhance the redox process of discharge products. In this study, a novel catalytic system comprised of tin sulfide (SnS) nanoflakes as a solid catalyst and tin iodide (SnI 2 ) as a dual‐functional electrolyte additive is discovered. This system enables operating the battery at high current rates up to 10 000 mA g −1 (corresponding to 1 mA cm −2 ). The SnS catalyst shows outstanding catalytic activity for both oxygen reduction and evolution reactions compared to carbon, noble metals, and other transition metal dichalcogenides. It also exhibits good structural integrity at high rates. The computations indicate numerous possible oxygen reduction sites without oxygen dissociations on the SnS surface through solution mechanism that is likely responsible for the formation of Li 2 O 2 . The calculations also indicate that the role of the SnI 2 is not only reacting with the lithium anode to provide protection but reducing the charge potential by promoting catalytic decomposition of the Li 2 O 2 . This work provides new novel additives for designing high‐rate Li‐air batteries.

25 ENERGY STORAGE↗