Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Lithium Battery”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Rational Design of Weakly‐Solvating Molecules for Salt‐In‐Pre‐Ionic‐Liquid Electrolytes for Li Metal Batteries

Lithium metal batteries (LMBs) promise step‐changes in energy densities but suffer from poor cycle life due to unstable electrolyte‐lithium interfaces. Conventional carbonate electrolytes exhibit excessive lithium‐ion solvation and low oxidative stability, leading to rapid capacity loss. Herein, we report a rationally designed weakly‐solvating cyclic sulfonamide, 1‐trifluoromethanesulfonyl)amide pyrrolidine (TFMSPyr), which integrates an electron‐withdrawing trifluoromethanesulfonyl functional group at pyrrolidinic‐N. TFMSPyr acts as a pre‐ionic‐liquid solvent that forms intrinsically localized, anion‐dominated solvation, coupling molecular architecture, solvation topology, and transport dynamics. As a result, LiFSI based salt‐in‐pre‐ionic‐liquid (SIPIL) electrolytes exhibit high lithium‐ion transference number, oxidative stability > 5 V versus Li/Li + and anion‐derived solid electrolyte interphases (SEI). Li||Cu cells with SIPIL deliver a first cycle Coulombic efficiency (CE) of ≈ 99% with average CE of 99.2% for 100 cycles, and lithium half‐cells with lithium iron phosphate (LFP) cathode exhibit 82% capacity retention after 400 cycles with CE of 99.98%. In anode‐free full cells, 95% of initial capacity is retained after 63 cycles with an average CE of 99.5%. These results demonstrate that molecular engineering of solvents offers a powerful pathway to stabilize lithium metal interfaces and enable practical Anodeless LMBs.

25 ENERGY STORAGE↗
DOE OSTI2023

Scalable Metal Phosphides as a Dual-Function Catalyst and Lithium–Metal Stabilizer for Lithium–Sulfur Batteries

Although lithium-sulfur batteries are a promising approach for achieving high energy density, their commercial viability is limited by poor sulfur redox kinetics, polysulfide shuttling, and lithium metal instability. To resolve these issues concurrently, we utilize titanium phosphides (TiP x ) as dual-function materials to catalyze the sulfur redox kinetics at the cathode and stabilize the lithium metal at the anode. Importantly, these phosphides are synthesized via a facile, highly scalable one-step mechanochemical ball-milling process that does not generate toxic phosphine gas as a byproduct, making it more viable compared to traditional synthesis routes. At the cathode, we find that higher phosphorus contents in the phosphide as in TiP 2 leads to superior redox kinetics and reduced polysulfide shuttling due to improved polysulfide adsorption ability. Meanwhile, at the anode, TiP 2 acts as a lithiophilic seed in a 3-dimensional carbonaceous host that can be lithiated to form a Li-TiP 2 /C composite. This composite alleviates the volume changes of lithium metal while utilizing TiP 2 to form a more favorable solid-electrolyte interface (SEI). Full coin cells employing TiP 2 in the cathode and anode were assembled with a sulfur loading of 4 mg cm -2 and a negative to positive capacity (N/P) ratio of 6. After 50 cycles, the TiP 2 full cells retain a higher capacity of 643 mA h g -1 compared to 422 mA h g -1 for the conventional cell, despite the higher N/P ratio of 12 for the conventional cell. Altogether, we showcase the viability of employing metal phosphides as catalysts in practical lithium-sulfur batteries.

25 ENERGY STORAGE↗
DOE OSTI2021

Understanding the Role of π-Conjugated Polymers as Binders in Enabling Designs for High-Energy/High-Rate Lithium Metal Batteries

Developing lithium-ion batteries with both high specific energy and high-power capability is a challenging task because of the necessity for meeting conflicting design requirements. We show that high-energy and high-rate capability can be achieved by using various π -conjugated p-dopable polymers as binders at the cathode and by lowering the mass fraction of all the inactive components of the cell. We report a lithium-metal battery that can deliver 320 Wh kg −1 at C/2 using a mass-efficient cell design. To this end, three conducting polymers with different ionic and electronic conductivities have been studied; dihexyl-substituted poly(3,4-propylenedioxythiophene) (PProDOT-Hx 2 ), poly(3-hexylthiophene) (P3HT), and a new Random Copolymer (Hex:OE)(80:20) PProDOT. These conducting polymers are compared against a conventional polymer binder, PVDF. We show that under the mass-efficient conditions required for achieving high specific energy and rate capability, the conducting polymers play a crucial role by providing electronic and ionic conductivity, protection against rapid growth of solid electrolyte interphase (SEI), and access to a large electrochemically active surface area. Thus, the use of conducting polymers with appropriate molecular structure as binders opens a viable pathway to maximizing the specific energy and rate capability of lithium-ion battery cathodes.

25 ENERGY STORAGE↗
DOE OSTI2023

Purification of Lithium-Ion Battery Black Mass through Tailored Alkaline Corrosion

Obtaining high-purity material outputs is crucial to the viability of novel process aimed at direct recycling of lithium-ion batteries. Metallic impurities in recycled cathodes have been shown to inhibit performance, thereby threatening mainstream acceptance of recycled battery products. Thus, shredded black mass (BM) must be purified to remove metallic contaminants, and specifically Al and Cu originating from the electrode current collectors. We herein explore a process to ionize solid copper and aluminum to ionic form based on tailored alkaline chemistry, without incurring damage to the target cathode material (Li(NixMnyCo1-x-y)O2; NMC). Al and Cu corrosion may be enhanced through the addition of chloride salt, elevated temperatures, and the use of ultrasonication - all of which disrupt the formation of passivating films on the metallic surface, and thereby increase corrosion rate. We demonstrate optimized parameters for Al and Cu corrosion both from a kinetic and overall process cost perspective. Further, we analyze the impact of these conditions on the structural (XRD, SEM), chemical (EDS, ICP), and electrochemical (impedance, cycling, dQ/dV) properties of NMC, and suggest that the present purification method does not significantly disrupt NMC performance. Finally, we present preliminary results from a promising bench-scale demonstration of this purification process applied to a simulated black mass.

ADVANCED PROPULSION SYSTEMS,ENERGY STORAGE↗
DOE OSTI2020

Calculated Reduction Potentials of Electrolyte Species in Lithium–Sulfur Batteries

In this work, reduction potentials of electrolyte molecules in the lithium–sulfur (Li/S) battery and their variations in several solvent environments are studied using the density functional theory method with Dunning’s triple-ζ correlation consistent basis set. Reliable reduction potential values are key for electrolyte additive design needed for suppressing polysulfide dissolution shuttle mechanism, resulting in poor cycle performance and severe self-discharge of the Li/S battery. Although isolated electrolyte molecules have reduction potentials outside the operating voltage range of the Li/S battery, complexation with other electrolyte species enables the electrolyte molecules to be reduced within the operating voltage range. Among the electrolyte species considered in this study, bis(fluorosulfonyl)imide (FSI – ) and fluoroethylene carbonate (FEC) yield reduction potentials within the expected range, suggesting the development of fluorine-containing additives as a promising line of research.

25 ENERGY STORAGE↗
DOE OSTI2022

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↗
DOE OSTI2020

Dual Functional Ni3S2@Ni Core-Shell Nanoparticles Decorating Nanoporous Carbon as Cathode Scaffolds for Lithium-Sulfur Battery with Lean Electrolytes

Lithium-sulfur batteries are very promising for next-generation energy storage. However, most studies use flooded electrolytes to achieve a high specific capacity at the expense of lowering the specific energy. Understanding lithium-sulfur battery performance with lean electrolytes is highly desirable. Herein, a modified Pechini method is developed to synthesize a nanoporous carbon host decorated with Ni3S2@Ni particles. Such a cathode delivers enhanced specific capacities with extended cycling life in lean electrolytes, due to the dual functions of the Ni3S2 shell, which can both facilitate reaction kinetics and promote electrolyte wetting. This work highlights a strategy to rationally design cathodes for highenergy lithium-sulfur batteries.

Zhang, Yulun↗
DOE OSTI2022

Chemical Challenges that the Peroxide Dianion Presents to Rechargeable Lithium–Air Batteries

Understanding the fundamental redox reactions and processes that occur in lithium–air and, more generally, metal–air batteries is important to the progress of this promising energy-storage technology. Knowledge of the chemistry of the peroxide dianion, O 2 2– , is especially crucial, as the dianion is at the nexus of the charge/discharge cycle of lithium–air batteries. The intrinsic electron transfer properties and redox chemistry of peroxide dianion are poorly defined because it is difficult to isolate the dianion free of protons and metal ions. We review the results of (i) the electron transfer kinetics and (ii) the redox reaction chemistry of isolated peroxide dianion encapsulated within the cavity of a hexacarboxamide cryptand. With regard to the former, electron transfer kinetics measurements provide fundamental Marcus parameters that will be useful for models that seek to disentangle the precise contributions of Li + ion-coupled electron transfer, electron transfer across the Li 2 O 2 solid particle interface, and charge hopping among Li 2 O 2 particles. With regard to the latter, an underappreciated chemistry of peroxide dianion with CO 2 produces peroxymonocarbonate (OOCO 2 2– ) and peroxydicarbonate (O 2 COOCO 2 2– ). An autocatalytic cycle will lead to oxidative degradation of traditional organic electrolytes and other vulnerable cell components employed in lithium–air batteries. Furthermore, this peroxycarbonate-derived chemistry, in addition to more commonly recognized solution-based oxidation chemistry, will need to be mitigated to realize the long-term cyclability of rechargeable lithium–air batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Role of inner solvation sheath within salt–solvent complexes in tailoring electrode/electrolyte interphases for lithium metal batteries

Functional electrolyte is the key to stabilizing the highly reductive lithium (Li) metal anode (LMA) and high voltage cathode for long life, high energy-density rechargeable Li metal batteries (LMBs). However, fundamental knowledge of the interaction principles between reactive electrodes and electrolytes is still limited. Recently localized high-concentration electrolytes (LHCEs) are emerging as promising electrolyte design strategies for LMBs. They can also serve as an ideal platform for understanding the reactivity characteristics of the inner solvation sheath on electrode surfaces due to their unique solvation structures. Here, we study the effects of a series of LHCEs with model electrolyte solvents (carbonate, sulfone, phosphate and ether) in high voltage LMBs. Varied electrode stabilities exhibited in different LHCEs indicate the intricate synergies between the salt and the solvent on electrode surfaces. Experimental and theoretical analyses reveal an intriguing general rule that the strong interactions between the salt and the solvent in the inner solvation sheath promote their intermolecular proton/charge transfer reactions, which dictates the properties of the electrode/electrolyte interphases and thus the battery performances.

Solvation sheath, salt-solvent complex, electrode/↗
DOE OSTI2022

Lithium nitride coatings deposited by magnetron sputtering on sulfide electrolytes for solid-state batteries

Lithium nitrides have been considered as promising candidates for interfacial layers in solid-state lithium batteries (SSBs). Previously reported lithium nitride (Li 3 N) coatings were mostly prepared by the reaction between lithium metal and nitrogen gas, which makes it challenging for their thickness control and integration in SSBs. In this study, we prepare Li 3 N via magnetron sputtering for the first time, and apply the resulting coating directly on sulfide solid-state electrolyte. A much smaller impedance increase associated with improved cycling performance is observed in lithium metal symmetric cell. These results demonstrate the feasibility of depositing Li 3 N via magnetron sputtering and its application in SSBs.

25 ENERGY STORAGE↗
DOE OSTI2020

Translating a Material Discovery into a Commercial Product in the Modern Lithium-ion Battery Market

Lithium-ion batteries are essential for portable technology and are now poised to disrupt a century of combustion-based transportation. The electrification revolution could eliminate our reliance on fossil fuels and enable a clean energy future; advanced batteries would facilitate this transition. However, owing to the demanding performance, cost, and safety requirements, it is challenging to translate new materials from laboratory prototypes to commercial products. This Perspective describes that journey toward commercialization for a new lithium-ion battery anode material, TiNb2O7 (TNO). TNO is intended as an alternative to graphite or Li4Ti5O12 with better rate and safety characteristics than the former, and higher energy density than the latter. The high capacity of TNO stems from multielectron redox of Nb5+ to Nb3+, its operating voltage window well above Li+/Li reduction potential prevents lithium dendrite formation, and its open crystal structure leads to high-power performance. Nevertheless, the creation of a practical TNO anode was non-linear and non-trivial. Its history is built on 30 years on fundamental science that preceded its application as a battery, and its battery development included a nearly 30-year gap. The insights and lessons 2 contained in this Perspective, many of them acquired firsthand, serve two purposes: (i) to unite the disparate studies of TiNb2O7 into a coherent modern understanding relevant to its application as a battery material and (ii) to highlight some of the considerations of commercializing a new material that affect TiNb2O7 as well as new electrode candidates more generally.

Griffith, Kent J.↗
DOE OSTI2020

Low profile pressure disconnect device for lithium ion batteries

Casings for lithium ion batteries are provided that include a container or assembly that defines a base, side walls and a top or lid, and a vent structure associated with the container or assembly. A flame arrestor may be positioned in proximity to the vent structure. The lithium ion battery may also include a pressure disconnect device associated with the casing. The pressure disconnect device may include a deflectable dome-based activation mechanism, and the deflectable dome-based activation mechanism may be configured and dimensioned to prevent burn through, e.g., by increasing the mass of the dome-based activation mechanism, adding material (e.g., foil) to the dome-based activation mechanism, and combinations thereof. Burn through may also be avoided, at least in part, based on the speed at which the dome-based activation mechanism responds at a target trigger pressure.

25 ENERGY STORAGE↗
DOE OSTI2022

Lithium halide cathodes for Li metal batteries

Lithium halides cathodes potentially offer a high energy density at a low cost for rechargeable batteries. However, these cathodes suffer from quick capacity decay in organic electrolytes and the failiure mechanism remains elusive. Here, we report that liquefying the halogen or interhalogen compounds is a prerequisite for achieving high reversibility for the lithium halides cathodes. The gas or solid halogen can be liquefied by using interhalogen compounds with different electronegativity or changing the temperature. As a proof of concept, reversible LiCl conversion-intercalation chemistry in organic electrolyte is demonstrated by using either redox coupling with less electronegative I/Br to form liquid ICl/BrCl or reducing the temperature to -30oC. Further, the LiCl-LiBr-graphite cathodes in 1.6M lithium difluoro(oxalato)borate/1.6M lithium triflate in diglyme electrolytes achieve a high reversible specific capacity of 250 mAh/g at 3.7 V with an energy density being comparable to or higher than transition metal oxide cathodes at a much lower cost.

25 ENERGY STORAGE↗
DOE OSTI2022

Design of a multi-functional gel polymer electrolyte with a 3D compact stacked polymer micro-sphere matrix for high-performance lithium metal batteries

We report lithium metal batteries (LMBs) are considered as promising high energy density batteries. However, they still suffer from poor cyclability due to the instability of solid electrolyte interphases (SEIs) and Li dendrite issues. Herein, a novel 3D densely packed multifunctional crosslinked gel polymer electrolyte (PHGPE) has been synthesized by in situ copolymerization of pentaerythritol tetraacrylate and 2-hydroxyethyl acrylate in a liquid electrolyte via a thermal initiation method. Due to intermolecular hydrogen bonding in the frameworks, the PHGPE exhibits a 3D compact-stacked and crosslinked micro-sphere structure, which benefits the construction of homogeneous Li + flux, enabling uniform Li plating/stripping and formation of robust SEIs onto the lithium electrode. Benefiting from the above advantages, symmetric Li cells in the PHGPE deliver excellent cyclabilities of 6000 h at a current density of 1 mA cm -2 (1 mA h cm -2 ) and 7700 h at 0.5 mA cm -2 (2 mA h cm -2 ). Moreover, the PHGPE has such a wide electrochemical window that it is compatible with both high-voltage LiNi 0.8 Co 0.1 Mn 0.1 O 2 and sulfur cathodes to realize long cycle life. Additionally, a LiFePO 4 based pouch size LMB also presents promising performance. Therefore, this study of the PHGPE has opened a new avenue for high-performance LMBs with excellent versatility and practicality.

25 ENERGY STORAGE↗
DOE OSTI2024

Multinonmetal-Doped V 2 O 5 Nanocomposites for Lithium-Ion Battery Cathodes

Lithium-ion batteries (LIBs) are critical for portable electronics and electric vehicles, demanding higher energy density to meet increasing energy storage needs. Current commercial cathode materials, such as LiFePO 4 and LiCoO 2 , are limited by a single electron transfer, restricting their energy density. Vanadium pentoxide (V 2 O 5 ) emerges as a promising high-capacity cathode due to its high theoretical capacity of 443 mA h g –1 with three Li storage capacities, significantly surpassing conventional materials. However, the practical application of V 2 O 5 is hindered by a large structural evolution and rapid capacity fading during full lithium intercalation. Here, this study introduces a multinonmetal doping (MNM) strategy to enhance V 2 O 5 cathodes by incorporating all-nonmetal dopants (B, P, and Si) and graphene (G). MNM-V 2 O 5 -G exhibits increased surface oxygen defects, improving charge transfer kinetics and thus enhancing the rate performance and cycling stability. Our results provide valuable insights into the role of surface oxygen defects in stabilizing V 2 O 5 with element doping. This research highlights the potential of multinonmetal doping to improve LIB cathode materials, offering a promising pathway for design of high-energy-density V 2 O 5 cathodes and advancing the development of next-generation energy storage solutions.

25 ENERGY STORAGE↗
DOE OSTI2020

Perspectives on the relationship between materials chemistry and roll-to-roll electrode manufacturing for high-energy lithium-ion batteries

As lithium-ion battery (LIB) active material and cell manufacturing costs continue to drop with wider adoption of electric vehicles, electrode and cell processing costs remain too high in terms of reaching the ultimate U.S. Department of Energy (DOE) cell cost target of $80/kWh. This paper primarily covers major materials chemistry advancements made over the last 10 years at Oak Ridge National Laboratory (ORNL) in the space of advanced manufacturing science for LIBs with the aim of simultaneously meeting the ultimate cost target, 500 Wh/kg gravimetric energy density, 10-15-min fast charge times, and 1000 deep discharge cycles. Aqeous electrode processing with a variety of active anode and cathode materials is now a standard procedure at the DOE Battery Manufacturing R&D Facility at ORNL (BMF), including the latest processes developed for Ni-rich cathodes. New results on cobalt-free LiNi 0.8 Fe 0.1 Al 0.1 O 2 (NFA 811) are also included and discussed in an electrode processing advantage context. In addition, colloidal processing advancements have been made for Si/C composite anodes for achieving >600 mA h/g capacities. Optimization of electrode coating parameters and drying protocols have been completed, which has elucidated how key processing variables need to be changed when parameters such as slurry solids loading, solvent type, and wet electrode thickness are changed. ORNL has also increased the line speeds at which thick cathodes can be processed using ultra-fast electron beam (EB) curing and substantially decreased formation cycling times to <1 day. Finally, key details of these advancements are discussed in the context of materials chemistry and process-property-performance relationships.

25 ENERGY STORAGE↗