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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 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Optimization of Magnesium-Doped Lithium Metal Anode for High Performance Lithium Metal Batteries through Modeling and Experiment

Lithium (Li)-magnesium (Mg) alloy with limited Mg amount, which can also be called Mg-doped Li (Li-Mg), has been considered as a potential alternative anode for high energy density rechargeable Li metal batteries. However, the optimum doping-content of Mg in Li-Mg anode and the mechanism of the improved performance are not well understood. In this study, density functional theory (DFT) calculations are used to investigate the effect of Mg amount in Li-Mg anode. The Li-Mg with about 5 wt. % Mg (abbreviated as Li-Mg5) has the lowest absorption energy of Li, thus all the surface area can be “controlled” by Mg atoms, leading to the smooth and continuous deposition of Li on the surface around the Mg center. A localized high concentration electrolyte enables Li-Mg5 to exhibit the best cycling stability in Li metal batteries with high-loading cathode and lean electrolyte under 4.4 V high-voltage, which is approaching the demand of practical application. This electrolyte also helps generate an inorganic-rich solid electrolyte interphase, which leads to smooth, compact and less corrosion layer on the Li-Mg5 surface. Both theoretical simulations and experimental results prove that Li-Mg5 has optimum Mg content and gives best battery cycling performance.

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

Interfacial Defect of Lithium Metal in Solid-State Batteries

All-solid-state battery with Li metal anode is a promising rechargeable battery technology with high energy density and improved safety. Currently, the application of Li metal anode is plagued by the failure at the interfaces between lithium metal and solid electrolyte (SE). However, little is known about the defects at Li–SE interfaces and their effects on Li cycling, impeding further improvement of Li metal anodes. Herein, by performing large-scale atomistic modeling of Li metal interfaces with common SEs, we discover that lithium metal forms an interfacial defect layer of nanometer-thin disordered lithium at the Li–SE interfaces. Further, this interfacial defect Li layer is highly detrimental, leading to interfacial failure such as pore formation and contact loss during Li stripping. By systematically studying and comparing incoherent, coherent, and semi-coherent Li–SE interfaces, we find that the interface with good lattice coherence has reduced Li defects at the interface and has suppressed interfacial failure during Li cycling. Our finding discovered the critical roles of atomistic lithium defects at interfaces for the interfacial failure of Li metal anode, and motivates future atomistic-level interfacial engineering for Li metal anode in solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

From Copper to Basic Copper Carbonate: A Reversible Conversion Cathode in Aqueous Anion Batteries

Dual-ion batteries that use anions and cations as charge carriers represent a promising energy-storage technology. However, an uncharted area is to explore transition metals as electrodes to host carbonate in conversion reactions. Here we report the reversible conversion reaction from copper to Cu 2 CO 3 (OH) 2 , where the copper electrode comprising K 2 CO 3 and KOH solid is self-sufficient with anion-charge carriers. This electrode dissociates and associates K + ions during battery charge and discharge. The copper active mass and the anion-bearing cathode exhibit a reversible capacity of 664 mAh g –1 and 299 mAh g –1 , respectively, and relatively stable cycling in a saturated mixture electrolyte of K 2 CO 3 and KOH. Finally, the results open an avenue to use carbonate as a charge carrier for batteries to serve for the consumption and storage of CO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

High‐Performance Al–S Batteries by Spin Polarization Modulation via Catalytic Ni‐MoS 2 Nanosheets

Aluminum–sulfur (Al–S) batteries catalysts with adsorption and catalytic capabilities can effectively improve the slow redox kinetics, but the current research often ignores the effect of optimizing the electronic structure of the catalyst on improving charge transfer and adsorption. Here, in this study, Ni-doped monolayer MoS 2 nanosheets are synthesized and used as a catalytic additive for the sulfur cathode. The addition of Ni promotes spin splitting of 4d orbital of Mo, thereby affecting polarization degree of the basal plane sulfur and making it change from a low spin state to a high spin one. This high spin configuration raises the electron energy level and provides an active electron state to react with aluminum polysulfides (AlPSs), which optimizes the adsorption energy. At the same time, it accelerates electron transfer and lowers the energy barrier for the overall conversion of the polysulfides. Benefiting from these features, Al–S batteries based on rationally designed S@Ni-MoS 2 /C cathodes exhibit a high initial capacity (1603.0 mAh g −1 at 0.5 A g −1 ) and extraordinary cycling stability (0.035% capacity decay rate during 2000 cycles). This study showcases a spin-polarized electronic structure control strategy to enhance catalytic activity, providing a viable approach for developing efficient catalysts for practical Al–S batteries.

Aluminum-sulfur batteries↗
DOE OSTI2024

Influence of Linker Group on Bipolar Redox-Active Molecule Performance in Non-Aqueous Redox Flow Batteries

Redox flow batteries (RFBs) are an attractive choice for stationary energy storage of renewables such as solar and wind. Non-aqueous redox flow batteries (NARFBs) have garnered broad interest due to their high voltage operation compared to their aqueous counterparts. Further, the utilization of bipolar redox-active molecules (BRMs) is a practical way to alleviate crossover faced by asymmetric RFBs. In this work, ferrocene (Fc) and phthalimide (PI) are covalently linked with various tethering groups which vary in structure and length. The compiled results suggest that the length and steric shielding ability of the linker group can greatly influence the stability and overall performance of Fc-n-PI BRM-based NARFBs. Primary sources of capacity loss are found to be BRM degradation for straight chain spacers <6 carbons and membrane (Nafion) fouling. Fc-hexyl-PI provided the most stable battery cycling and coulombic efficiencies of >98 % over 100 cycles (~13 days). NARFB using Fc-hexyl-PI as an active material exhibited high working voltage (1.93 V) and maximum capacity (1.28 Ah L -1 ). Additionally, this work highlights rational strategies to improve cycling stability and optimize NARFB performance.

25 ENERGY STORAGE↗
DOE OSTI2020

Intercalated water in aqueous batteries

The unprecedentedly growing demand for energy storage devices in recent years calls for diversified chemistries with unique advantages. When it comes to safety and cost, aqueous battery systems have attracted tremendous attention. Being a universal solvent, water can solvate the cations with rather high dehydration energy due to the hydrogen bonding environment, relatively small size and high polarity. Such properties make solvent co-intercalation, which is seen in a few of the non-aqueous systems, more likely to happen in aqueous batteries. Hydrated cations show drastically different behaviors from naked cations during intercalation/de-intercalation processes and hence enable many reactions that are otherwise difficult to proceed. This review summarizes the roles of co-intercalated water in aqueous batteries from how water molecules coordinate with cations to examples of water-mediated reactions in different types of host materials.

25 ENERGY STORAGE↗
DOE OSTI2022

Solvent-Free Manufacturing of Lithium-Ion Battery Electrodes via Cold Plasma

Slurry casting has been used to fabricate lithium-ion battery electrodes for decades, which involves toxic and expensive organic solvents followed by high-cost vacuum drying and electrode calendering. This work presents a new manufacturing method using a nonthermal plasma to create inter-particle binding without using any polymeric binding materials, enabling solvent-free manufacturing electrodes with any electrochemistry of choice. The cold-plasma-coating technique enables fabricating electrodes with thickness (>200 μm), high mass loading (>30 mg cm -2 ), high peel strength, and the ability to print lithium-ion batteries in an arbitrary geometry. This crosscutting, chemistry agnostic, platform technology would increase energy density, eliminate the use of solvents, vacuum drying, and calendering processes during production, and reduce manufacturing cost for current and future cell designs. Here, lithium iron phosphate and lithium cobalt oxide were used as examples to demonstrate the efficacy of the cold-plasma-coating technique. It is found that the mechanical peel strength of cold-plasma-coating-manufactured lithium iron phosphate is over an order of magnitude higher than that of slurry-casted lithium iron phosphate electrodes. Full cells assembled with a graphite anode and the cold-plasma-coating-lithium iron phosphate cathode offer highly reversible cycling performance with a capacity retention of 81.6% over 500 cycles. For the highly conductive cathode material lithium cobalt oxide, an areal capacity of 4.2 mAh cm -2 at 0.2 C is attained. We anticipate that this new, highly scalable manufacturing technique will redefine global lithium-ion battery manufacturing providing significantly reduced plant footprints and material costs.

25 ENERGY STORAGE↗
DOE OSTI2024

Tailoring Binder Molecular Weight to Enhance Slurry-Cast NMC Cathodes for Sulfide Solid-State Batteries

We demonstrate for the first time the critical influence of binder molecular weight on the performance of slurry-cast lithium nickel manganese cobalt oxide (NMC) cathodes in sulfide-based all-solid-state batteries (SSBs). SSBs are increasingly recognized as a safer and potentially more efficient alternative to traditional Li-ion batteries, owing to the superior ionic conductivities and inherent safety features of sulfide solid electrolytes. However, the integration of high-voltage NMC cathodes with sheet-type sulfide solid electrolytes presents significant fabrication challenges. Our findings reveal that higher molecular weight binders not only enhance the discharge capacity and cycle life of these cathodes but also ensure robust adhesion and structural integrity. By optimizing binder molecular weights, we effectively shield the active materials from degradation and mechanical stress, significantly boosting the functionality and longevity of SSBs. These results underscore the paramount importance of binder properties in advancing the practical application of high-performance all-solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Simultaneously Integrating Single Atomic Cobalt Sites and Co 9 S 8 Nanoparticles into Hollow Carbon Nanotubes as Trifunctional Electrocatalysts for Zn–Air Batteries to Drive Water Splitting

The development of rechargeable metal–air batteries and water electrolyzers are highly constrained by electrocatalysts for the oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and hydrogen evolution reaction (HER). However, the construction of efficient trifunctional electrocatalysts for ORR/OER/HER are highly desirable yet challenging. Herein, hollow carbon nanotubes integrated single cobalt atoms with Co9S8 nanoparticles (CoSA + Co 9 S 8 /HCNT) are fabricated by a straightforward in situ self-sacrificing strategy. The structure of the CoSA + Co 9 S 8 /HCNT are verified by X-ray absorption spectroscopy and aberration-corrected scanning transmission electron microscopy. Theoretical calculations and experimental results embrace the synergistic effects between Co 9 S 8 nanoparticles and single cobalt atoms through optimizing the electronic configuration of the CoN4 active sites to lower the reaction barrier and facilitating the ORR, OER, and HER simultaneously. Consequently, rechargeable liquid and all-solid-state flexible Zn–air batteries based on CoSA + Co 9 S 8 /HCNT exhibit remarkable stability and excellent power density of 177.33 and 51.85 mW cm -2 , respectively, better than Pt/C + RuO 2 counterparts. Moreover, the as-fabricated Zn–air batteries can drive an overall water splitting device assembled with CoSA + Co 9 S 8 /HCNT and achieve a current density of 10 mA cm -2 at a low voltage of 1.59 V, also superior to Pt/C + RuO 2 . Therefore, we conclude, this work presents a promising approach to an efficient trifunctional electrocatalyst toward practical applications.

25 ENERGY STORAGE↗
DOE OSTI2021

Correlating Catalyst Design and Discharged Product to Reduce Overpotential in Li-CO 2 Batteries

Li-CO 2 batteries with dual efficacy for greenhouse gas CO 2 sequestration and high energy output have been regarded as a promising electrochemical energy storage technology. However, battery feasibility has been hampered by inferior electrochemical performance due to large overpotentials and low cyclability primarily caused by the difficult decomposition of ultra-stable Li 2 CO 3 during charge. The use of cathode catalysts has been highlighted as a promising solution and catalyst properties, as well as the nature of discharge products, are closely correlated with electrochemical performance. Here, the catalyst design strategies that include active site enrichment, electrical transport enhancement, and mass transfer improvement are summarized. Catalyst effects on product decomposition are then subsequently introduced, while product geometry and chemical composition will be explored, with an emphasis on the formation/decomposition of Li 2 C 2 O 4 instead of Li 2 CO 3 . Building on previous research, future directions that facilitate improvements in catalyst design are put forward to reinforce the fundamental development of Li-CO 2 batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Lewis Acid Site Assisted Bifunctional Activity of Tin Doped Gallium Oxide and Its Application in Rechargeable Zn‐Air Batteries

The enhanced safety, superior energy, and power density of rechargeable metal‐air batteries make them ideal energy storage systems for application in energy grids and electric vehicles. However, the absence of a cost‐effective and stable bifunctional catalyst that can replace expensive platinum (Pt)‐based catalyst to promote oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) at the air cathode hinders their broader adaptation. Here, in this work, it is demonstrated that Tin (Sn) doped β‐gallium oxide (β‐Ga 2 O 3 ) in the bulk form can efficiently catalyze ORR and OER and, hence, be applied as the cathode in Zn‐air batteries. The Sn‐doped β‐Ga 2 O 3 sample with 15% Sn (Sn x =0.15 ‐Ga 2 O 3 ) displayed exceptional catalytic activity for a bulk, non‐noble metal‐based catalyst. When used as a cathode, the excellent electrocatalytic bifunctional activity of Sn x =0.15 ‐Ga 2 O 3 leads to a prototype Zn‐air battery with a high‐power density of 138 mW cm −2 and improved cycling stability compared to devices with benchmark Pt‐based cathode. The combined experimental and theoretical exploration revealed that the Lewis acid sites in β‐Ga 2 O 3 aid in regulating the electron density distribution on the Sn‐doped sites, optimize the adsorption energies of reaction intermediates, and facilitate the formation of critical reaction intermediate (O*), leading to enhanced electrocatalytic activity.

Lewis acid sites↗
DOE OSTI2026

Interfacial and Kinetic Origins of Voltage Loss in Neutral Zinc‐Air Batteries

Rechargeable zinc-air batteries are promising candidates for grid-scale energy storage; however, their practical deployment is limited by oxygen electrocatalysis inefficiencies and interfacial instabilities, particularly outside conventional alkaline electrolytes. Here, in this work, zinc-air batteries operating under neutral electrolyte conditions using ZnCl 2 soaked KC-PAA-PAM gel polymer electrolytes and electrochemically synthesized Ni/Fe layered double hydroxide electrocatalysts is investigated. Ni/Fe-LDH is intentionally employed as an OER-biased benchmark catalyst to diagnose electrolyte and interface driven limitations rather than as a bifunctional ORR/OER solution. Full cells exhibit highly stable cycling over hundreds of hours, yet operate at substantially suppressed charge and discharge voltages relative to the thermodynamic value. Electrochemical impedance analysis shows that ohmic losses contribute only minimally to this voltage suppression. Post-mortem X-ray photoelectron spectroscopy reveals metallic zinc accumulation on the air cathode and chloride-containing species on the anode, indicating parasitic interfacial processes. Synchrotron-based soft X-ray absorption spectroscopy confirms stable Ni 2+ and Fe 3+ oxidation states during cycling, consistent with OER-biased catalytic behavior, while neutral-electrolyte oxygen evolution measurements demonstrate strong electrolyte-induced suppression of oxygen kinetics. Together, these results show that electrolyte chemistry and cathode-side parasitic processes, rather than catalyst identity alone, dominate voltage losses in neutral zinc-air batteries, providing mechanistic insight into the fundamental challenges associated with neutral electrolyte operation.

Long duration energy storage↗
DOE OSTI2022

Tuning working potential of silicon-phosphorus anode via microstructure control for high-energy lithium-ion batteries

The primary research on anode materials of lithium-ion batteries have been focused on increasing the specific capacity, while the working potential that is also closely related to the practical energy density of batteries has been paid much less attention. In this paper, starting from micrometer-sized silicon and black phosphorus, we have reported a high-energy silicon-phosphorus/carbon anode (denoted as mSPC) via a high-energy ball milling process, which demonstrates an average discharge working potential of 0.3 volts versus lithium, together with a high reversible capacity of > 2000 mAh/g, high initial coulombic efficiency of 84%, excellent cycle stability, and superior rate capability up to 15 A/g. Furthermore, in situ focused-ion-beam scanning electron microscopy reveals that the volume change of the mSPC anode during repeated (de) lithiation is effectively alleviated. In contrast, starting from nanometer-sized silicon, the resulted anode (denoted as nSPC) not only presents a lower reversible capacity (~1200 mAh/g), but also exhibits a higher charge/discharge working potential, leading to reduced energy density. Our results indicate the importance of composition/structure control in tailoring the working potential and specific capacity of alloying-type anodes towards high-energy lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

Finite Element Analysis and Machine Learning Guided Design of Carbon Fiber Organosheet-Based Battery Enclosures for Crashworthiness

Carbon fiber composite can be a potential candidate for replacing metal-based battery enclosures of current electric vehicles (E.V.s) owing to its better strength-to-weight ratio and corrosion resistance. However, the strength of carbon fiber-based structures depends on several parameters that should be carefully chosen. Here, in this work, we implemented high throughput finite element analysis (FEA) based thermoforming simulation to virtually manufacture the battery enclosure using different design and processing parameters. Subsequently, we performed virtual crash simulations to mimic a side pole crash to evaluate the crashworthiness of the battery enclosures. This high throughput crash simulation dataset was utilized to build predictive models to understand the crashworthiness of an unknown set. Our machine learning (ML) models showed excellent performance (R 2 > 0.97) in predicting the crashworthiness metrics, i.e., crush load efficiency, absorbed energy, intrusion, and maximum deceleration during a crash. We believe that this FEA-ML work framework will be helpful in down select process parameters for carbon fiber-based component design and can be transferrable to other manufacturing technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Customer trust in their utility company and interest in household-level battery storage

Here we seek to contribute to understanding household interest in battery storage, particularly the role of customer trust in their utility company. Using data from a survey of California households, we examine whether customers’ trust in their utility company is associated with their interest in battery storage. We find that customer trust that their utility company acts in their best interest is associated with lower levels of interest. Trust that the utility company is competent has some effect. Perceptions that battery storage has financial and environmental benefits and low nonmonetary costs are also associated with higher levels of interest.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Hex-C 558 : A new porous metallic carbon allotrope for lithium-ion battery anode

Due to the limited specific capacity of graphite anodes in lithium-ion batteries (LIBs), it is imperative to find alternatives with better performance. Here in this work, we propose, for the first time, a three dimensional (3D) porous metallic 5-5-8 carbon monolith with hexagonal lattice as a potential candidate. With 5-5-8 carbon nanoribbon as the building block, this material, named Hex-C558, goes beyond graphene-nanoribbon-based 3D porous carbon structures. Using first-principles calculations, we show that Hex-C 558 is not only dynamically and thermally stable, but also is energetically more favorable than many other theoretically predicted carbon allotropes. More importantly, Hex-C 558 is metallic with ordered ionic conducting channels and possesses a low mass density of 1.05 gcm -3 , exhibiting great potential for ion-battery applications. As an anode for LIBs, Hex-C558 possesses a large specific capacity of 591 mAhg -1 , low diffusion energy barrier of 0.27 eV (at low Li concentration) and 0.52 eV (at high Li concentration), a low open-circuit voltage of 0.51 V, and a small volume change of 2.4%. This work provides a new route for the design and synthesis of novel carbon materials for battery applications by using pentagon-based building units.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Silver-carbon interlayers in anode-free solid-state lithium metal batteries: Current development, interfacial issues, and instability challenges

As an interlayer between the anode and the electrolyte of the all-solid-state lithium metal batteries (ASSLMBs), the silver-carbon (Ag-C) nanocomposite has been reported to significantly increase the energy density and cycle rate of solid-state lithium metal batteries. Ag-C interlayers serve as mixed ionic-electronic conductor that conducts both Li+ ions and electrons and lithium storage capacity. Unfortunately, it was unclear how the Ag-C interlayer regulated lithium plating and stripping. Moreover, the structural and chemical instabilities between the interlayer and the electrolyte, within the interlayer, or beneath the interlayer on lithium substrate are likely to cause cell failure. In this review, we discuss interfacial issues and summarize recent progress in solution strategies for ASSLMBs, with a specific focus on the use of a silver-carbon (Ag-C) nanocomposite interlayer in anode-free setups. Based on the Li transport kinetics among the Ag-C interlayers, the interfacial configurations of Ag-C interlayers are classified as either exterior or internal. Furthermore, the review concludes with a discussion of the perspectives and future prospects, allowing for the improvement of interlayer techniques for solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Highly efficient interface stabilization for ambient-temperature quasi-solid-state sodium metal batteries

Solid-state sodium (Na) batteries (SSSBs) using sulfide-based solid electrolytes (SSEs) hold tremendous promise due to their high theoretical specific capacity, enhanced safety and abundant resources. However, detrimental interfacial issues between SSEs and Na metal present a major challenge to the advancement of sulfide-based SSSBs. To address interfacial issues, we demonstrate an efficient approach by incorporating an ionic liquid electrolyte ((PYR/Na)TFSI) as interlayer to stabilize the Na metal/SSE interface. The presence of the (PYR/Na)TFSI interlayer enables the formation of a stable solid electrolyte interphase (SEI) to prevent the harmful reactions and inhibit Na dendrites. Combination of ab initio molecular dynamics simulations and X-ray photoelectron spectroscopy revealed that this stable SEI is largely composed of reduced products of TFSI -, such as NaF and CF 3 . As a result, the symmetric cells exhibited stable Na plating/striping cycling for 300 h at 0.1 mA cm -2 . In addition, FeS2||Na quasi-solid-state batteries delivered an impressive specific capacity of over 300 mAh g -1 under the current density of 20 mA g -1 at room temperature. Under a higher current density (100 mA g -1 ), such batteries performed with long-term cycling stability and maintained a specific capacity of around 103 mAh g -1 after 330 cycles. This work demonstrates the novel perspective of using an ionic liquid interlayer to address interfacial issues, contributing to the advancement of high-performance SSSBs for the next-generation energy storage systems.

25 ENERGY STORAGE↗