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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

The Effect of Electrolyte Additives upon the Lithium Kinetics of Li-Ion Cells Containing MCMB and LiNi(x)Co(1-x)O2 Electrodes and Exposed to High Temperatures

With the intent of improving the performance of lithium-ion cells at high temperatures, we have investigated the use of a number of electrolyte additives in experimental MCMB- Li(x)Ni(y)Co(1-y)O2 cells, which were exposed to temperatures as high as 80 C. In the present work, we have evaluated the use of a number of additives, namely vinylene carbonate (VC), dimethyl acetamide (DMAc), and mono-fluoroethylene carbonate (FEC), in an electrolyte solution anticipated to perform well at warm temperature (i.e., 1.0M LiPF6 in EC+EMC (50:50 v/v %). In addition, we have explored the use of novel electrolyte additives, namely lithium oxalate and lithium tetraborate. In addition to determining the capacity and power losses at various temperatures sustained as a result of high temperature cycling (cycling performed at 60 and 80 C), the three-electrode MCMB-Li(x)Ni(y)Co(1-y)O2 cells (lithium reference) enabled us to study the impact of high temperature storage upon the solid electrolyte interphase (SEI) film characteristics on carbon anodes (MCMB-based materials), metal oxide cathodes, and the subsequent impact upon electrode kinetics.

High Temperture Resilience↗
DOE OSTI2013

Preparation and electrochemical performance of sulfur-alumina cathode material for lithium-sulfur batteries

Highlights: ► Micron-sized alumina was synthesized as adsorbent for lithium-sulfur batteries. ► Sulfur-alumina material was synthesized via crystallizing nucleation. ► The Al{sub 2}O{sub 3} can provide surface area for the deposition of Li{sub 2}S and Li{sub 2}S{sub 2}. ► The discharge capacity of the battery is improved during the first several cycles. - Abstract: Nano-sized sulfur particles exhibiting good adhesion with conducting acetylene black and alumina composite materials were synthesized by means of an evaporated solvent and a concentrated crystallization method for use as the cathodes of lithium-sulfur batteries. The composites were characterized and examined by X-ray diffraction, environmental scanning electron microscopy and electrochemical methods, such as cyclic voltammetry, electrical impedance spectroscopy and charge–discharge tests. Micron-sized flaky alumina was employed as an adsorbent for the cathode material. The initial discharge capacity of the cathode with the added alumina was 1171 mAh g{sup −1}, and the remaining capacity was 585 mAh g{sup −1} after 50 cycles at 0.25 mA cm{sup −2}. Compared with bare sulfur electrodes, the electrodes containing alumina showed an obviously superior cycle performance, confirming that alumina can contribute to reducing the dissolution of polysulfides into electrolytes during the sulfur charge–discharge process.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Discharge Rate‐Driven Li 2 O 2 Growth Exhibits Unconventional Morphology Trends in Solid‐State Li‐O 2 Batteries

Solid-state lithium oxygen batteries (LOBs) are known for their enhanced safety, higher electrochemical stability, and improved energy density compared to liquid-state LOBs. However, the investigation of solid-state LOBs is limited with little understanding of their discharge and charge processes. In this work, a polymer-based solid-state LOB is used to investigate the effect of discharge rate on lithium peroxide (Li 2 O 2 ) formation, the oxygen evolution reaction (OER), and cycle performance. Notably, we observe a counterintuitive trend: Li 2 O 2 particle size increases with increasing discharge current density, in contrast to liquid systems. This behavior arises from inherent space charge layers that restrict Li⁺ transport under high current, and spatially heterogeneous active sites at the solid electrolyte–cathode interface, directly evidenced by small angle X-ray scattering (SAXS), which govern nucleation accessibility and promote site-selective Li 2 O 2 growth. Furthermore, higher current densities improve ORR and OER efficiency but accelerate anode degradation, while lower currents promote side reactions. These opposing effects result in a trade-off that defines an optimal discharge rate (0.1 mA cm -2 ) for maximizing cycle life. This study provides a new mechanistic perspective on discharge-driven processes in solid-state LOBs and offers practical guidelines for performance optimization in future high-energy battery systems.

Discharge current density↗
DOE OSTI2026

Modeling Single-Crystal Battery Materials: From Fundamental Understanding to Performance Evaluation

The performance of rechargeable batteries is fundamentally influenced by the physicochemical properties and microstructural features of their key material components. Recent experimental advancements have highlighted the potential of single-crystal (SC) morphologies to address inherent limitations of polycrystalline (PC) electrodes and solid-state electrolytes, offering tunable charge transport kinetics and improved cell cycling performance. Here, this review examines how state-of-the-art computational modeling, from atomistic and mesoscale to continuum-level approaches, including machine learning methodologies, has been utilized to investigate the critical factors governing the electrochemical behavior of SC battery materials. We explore how predictive modeling can elucidate the processing–structure–property–performance relationships of SC cathodes, anodes, and solid-state electrolytes, with a focus on unique SC characteristics such as crystallographic anisotropy, size effects, and facet-dependent properties. Additionally, we identify limitations in commonly used modeling techniques and discuss strategies to address these challenges. By integrating high-fidelity simulations with experimental insights, this review aims to outline a clear path for the rational design and optimization of SC battery components, paving the way for accelerated advancements in energy storage technologies.

Materials science↗
DOE OSTI2014

Investigations into Performance and Lifetime Enhancements of OPV Devices

To evaluate Plextronics new additives and derivatives in lithium-ion Battery Applications, Plextronics will provide to NREL, a starting point, including materials and initial data for proof of concept. The central focus of this project is to acertain the nature of the efficacy of the Plextronics additives through physical and electrical characterization, including evaluations of new derivatives, system evaluations on batteries made with Plexcore and to study long term cycling performance differences. The initial focus is to establish Plexcore mode of action to support the commercialization of the first commercial evaluations of Plexcore in Sept. 2013.

25 ENERGY STORAGE↗
DOE OSTI2025

Analysis of Degradation and Electrochemical Behavior of Lithium–Oxygen Batteries under Lean Electrolyte Conditions

Lithium-oxygen batteries have garnered much attention in the past decades due to their high energy density and active material abundancy. Decreasing the electrolyte volume is critical to achieving a high energy density for practical applications. Recent works have demonstrated a serious performance limitation at lower electrolyte fillings. Here, in this work, we study specifically the difference between flooded and lean electrolyte lithium-oxygen batteries by systematically tracing the source of performance degradation. We find that the key contributor to the decrease in performance under lean electrolyte conditions stems from the lithium metal anode rather than the cathode. Solid electrolyte interphase (SEI) compositionally appears to be the same from X-ray photoelectron spectroscopy but the coverage is less uniform, and impedance is much higher under lean electrolyte conditions. Such an effect likely produced the observed poorer cycle performance at 10 μL cm -2 (similar to 28% cathode's pore volume filled) vs 100 μL cm -2 (278% of cathode's pore volume) at a capacity of 1.0 mAh cm -2 (0.1 mAh cm -2 ) using an electrolyte composition of 1 M LiTFSI in TEGDME.

Córdoba, Daniel [Argonne National Laboratory (ANL)↗
DOE OSTI2013

Structure and electrochemical properties of nanometer Cu substituted α-nickel hydroxide

Graphical abstract: Display Omitted Highlights: ► Cu substituted α-nickel hydroxide was prepared by ultrasonic assisted precipitation. ► The XRD peaks are anisotropic broadening. ► The electrode for 0.9 wt.% Cu has the highest capacity of 310 mAh/g at 0.2 C. -- Abstract: Nanometer Cu-substituted α-nickel hydroxide was synthesized by means of ultrasonic-assisted precipitation. Particle size distribution (PSD) measurement, X-ray diffraction (XRD), and high-resolution transmission electron microscope (HR-TEM) were used to characterize the physical properties of the synthesized samples. The results indicate that the average particle size of the samples is about 96–110 nm and the XRD diffraction peaks are anisotropic broadening. The crystal grains are mainly polycrystal structure with columnar or needle-like morphology, containing many defects. With increase of Cu content, the shape of primary particles transform from columnar to needle-like. The influences of doping amounts of Cu on the electrochemical performance were investigated through constant current charge/discharge and cyclic voltammetric measurements. The specific capacity increases initially and then decreases with increasing Cu-doping ratio, the electrode C containing 0.9 wt.% Cu shows the maximum discharge capacity of 310 mAh/g at 0.2 C, and it has the lowest charging voltage, higher discharge voltage plateau, better cycle performance and larger proton diffusion coefficient than the other electrodes.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Pseudocapacitance and excellent cyclability of 2,5-dimethoxy-1,4-benzoquinone on graphene

Electrochemically active organic materials are emerging as low cost, naturally abundant and sustainable alternatives to their metal-based counterparts. However, their usage in energy storage systems is mainly hindered by their poor conductivity, which results in capacitance fade upon cycling. In this paper, we present a redox-active xerogel composed of 2,5-dimethoxy-1,4-benzoquinone (DMQ) decorated on reduced graphene oxide (rGO) sheets via a hydrothermal method as a high capacitance and long cycle life pseudocapacitive electrode. DMQ not only provided stable redox-active centers but also served as a spacer to avoid rGO sheets aggregation and led to a three-dimensional (3D) hierarchical electrode architecture. When a binder-free 50 μm thick rolled film was tested as a pseudocapacitive electrode, it exhibited an excellent capacitance of 650 F g -1 at 5 mV s -1 (780 F cm -3 ) in 1 M sulfuric acid, outperforming a large number of reported organic and inorganic electrodes. Most importantly, optimized electrodes showed an excellent capacitance retention of 99% after 25 000 cycles at 50 mV s -1 . Density functional theory (DFT) calculations are further used to understand the charge storage mechanism, the preferred orientation of the adsorbed molecules, charge density distribution and density of states. In conclusion, our combined experimental and theoretical findings demonstrate that the careful selection of the conductive substrate, electrode architecture and organic molecules plays a crucial role in achieving high capacitance and long cycling performance.

25 ENERGY STORAGE↗
DOE OSTI2016

Phenomenological Studies on Sodium for CSP Applications: A Safety Review

Sodium as a heat transfer fluid (HTF) can achieve temperatures above 700°C to improve power cycle performance for reducing large infrastructure costs of high-temperature systems. Current concentrating solar power (CSP) sensible HTF’s (e.g. air, salts) have poor thermal conductivity, and thus low heat transfer capabilities, requiring a large receiver. The high thermal conductivity of sodium has demonstrated high heat transfer rates on dish and towers systems, which allow a reduction in receiver area by a factor of two to four, reducing re-radiation and convection losses and cost by a similar factor. Sodium produces saturated vapor at pressures suitable for transport starting at 600°C and reaches one atmosphere at 870°C, providing a wide range of suitable latent operating conditions that match proposed high temperature, isothermal input power cycles. This advantage could increase the receiver and system efficiency while lowering the cost of CSP tower systems. Although there are a number of desirable thermal performance advantages associated with sodium, its propensity to rapidly oxidize presents safety challenges. This investigation presents a literature review that captures historical operations/handling lessons for advanced sodium systems, and the current state-of-knowledge related to sodium combustion behavior. Technical and operational solutions addressing sodium safety and applications in CSP will be discussed, including unique safety hazards and advantages using latent sodium. Operation and maintenance experience from the nuclear industry with sensible and latent systems will also be discussed in the context of safety challenges and risk mitigation solutions.

14 SOLAR ENERGY↗
DOE OSTI2024

Composition-Nanoarchitecture-Performance Analysis of High Energy Density Electrodeposited Silicon for Lithium-Ion Battery Anodes

Electrodeposition of silicon (Si) was previously demonstrated as a promising method for fabricating 3D-structured lithium-ion battery anodes. However, the relationship between the electrochemical performance and chemical composition of the relatively impure electrodeposited silicon is not well understood. Here, we report the electrodeposition of a Si-dominant active material (EDEP-Si) onto 3D-structured nickel (Ni) scaffolds and systematically compare the electrochemical properties, elemental composition, atomistic Si coordination, and molecular structure of EDEP-Si with high-purity amorphous Si grown via static chemical vapor deposition. Despite the considerable amount of carbon (9–11 at %) and oxygen (42–44 at %) present in EDEP-Si, the cycling stability and high reversible specific capacity are remarkably similar to those of CVD-Si on a silicon basis (~2400 mA h/g-Si after 100 cycles). The primary difference is that EDEP-Si exhibits reduced cycling efficiency over the first 10–20 cycles. Reactions between carbon and, more importantly, oxygen in EDEP-Si with lithium are likely responsible for the reduced early cycle performance and lower capacity of the total deposit. Finally, our observations suggest ultrapure Si is not necessary for high electrochemical access to reversible charge storage, although limiting the presence of incorporated impurity species would improve energy density and first cycle efficiency.

25 ENERGY STORAGE↗
DOE OSTI2012

Microwave-assisted preparation of Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C composite with high-rate capacity

Highlights: ► High-rate Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C is firstly reported via a microwave-assisted method. ► The reduced particle size is responsible for the improved high-rate performance. ► A discharge capacity of 100 mAh g{sup −1} is obtained at 20 C charge–discharge rate. -- Abstract: A fast sol–gel assisted microwave heating approach has been developed for the synthesis of high-rate Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C cathode material. This approach can synthesize Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C particles with high purity and good crystallinity in 12 min at a low microwave power of 320 W. In the voltage range of 3.0–4.3 V, the obtained Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C delivers a reversible discharge capacity of 100 mAh g{sup −1} after 100 cycles at 20 °C, exhibiting excellent rate capability and cycling performance. The rate-recovery performance also suggests that the Li{sub 3}V{sub 2}(PO{sub 4}){sub 3}/C material possesses excellent structure stability after high-rate cycles, presenting excellent application value in high-power lithium ion batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Effects of electrolyte salts on the performance of Li-O2 batteries

It is well known that the stability of nonaqueous electrolyte is critical for the rechargeable Li-O2 batteries. Although stability of many solvents used in the electrolytes has been investigated, considerably less attention has been paid to the stability of electrolyte salt which is the second major component. Herein, we report the systematic investigation of the stability of seven common lithium salts in tetraglyme used as electrolytes for Li-O2 batteries. The discharge products of Li-O2 reaction were analyzed by X-ray diffraction, X-ray photoelectron spectroscopy and nuclear magnetic resonance spectroscopy. The performance of Li-O2 batteries was strongly affected by the salt used in the electrolyte. Lithium tetrafluoroborate (LiBF4) and lithium bis(oxalato)borate (LiBOB) decompose and form LiF and lithium borates, respectively during the discharge of Li-O2 batteries. Several other salts, including lithium bis(trifluoromethane)sulfonamide (LiTFSI), lithium trifluoromethanesulfonate (LiTf), lithium hexafluorophosphate (LiPF6), lithium perchlorate (LiClO4) , and lithium bromide (LiBr) led to the discharge products which mainly consisted of Li2O2 and only minor signs of decomposition of LiTFSI, LiTf, LPF6 and LiClO4 were detected. LiBr showed the best stability during the discharge process. As for the cycling performance, LiTf and LiTFSI were the best among the studied salts. In addition to the instability of lithium salts, decomposition of tetraglyme solvent was a more significant factor contributing to the limited cycling stability. Thus a more stable nonaqueous electrolyte including organic solvent and lithium salt still need to be further developed to reach a fully reversible Li-O2 battery.

cycling stability↗
DOE OSTI2016

Novel Co{sub 3}O{sub 4} porous polyhedrons derived from metal–organic framework toward high performance for electrochemical energy devices

Co{sub 3}O{sub 4} polyhedrons with porous structure have been synthesized simply by annealing Prussian blue analogue (PBA) Co{sub 3}[Co(CN){sub 6}]{sub 2} polyhedrons at 400 °C in air. The product was characterized by a series of techniques, such as X-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM), Transmission Electron Microscopy (TEM), High-resolution TEM (HRTEM), X-ray Photoelectron Spectroscopy (XPS), and Brunauer–Emmett–Teller (BET) gas adsorption. Interestingly, when evaluated as an anode material for lithium-ion batteries (LIBs), the Co{sub 3}O{sub 4} porous polyhedrons manifested high reversible capacity (about 1200 mAh g{sup −1} at 50 mA g{sup −1}) and excellent cycling performance. Moreover, they also exhibited a high specific capacitance of 110 Fg{sup −1} when used as an electrode in the supercapacitor. It is suggested that the special morphology and porous nanostructure lead to the promising electrochemical properties. - Graphical abstract: Novel and complicated mesoporous architectures of Co{sub 3}O{sub 4} have been fabricated by thermal decomposition of Prussian Blue Analog (PBA) Co{sub 3}[Co(CN){sub 6}]{sub 2} polyhedrons which obtained at the room temperature. When Co{sub 3}O{sub 4} product was evaluated for Li-ion batteries (LIBs), they exhibited high reversible capacity of 1000 mAh g{sup −1} with excellent cycle life because of the hollow/porous structure. Display Omitted.

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

Interphase Stabilization of LiNi 0.5 Mn 1.5 O 4 Cathode for 5 V–Class All–Solid–State Batteries

Employing high voltage cobalt-free spinel LiNi 0.5 Mn 1.5 O 4 (LNMO) as a cathode is promising for high energy density and cost-effectiveness, but it has challenges in all-solid-state batteries (ASSBs). Here, it is revealed that the limitation of lithium argyrodite sulfide solid electrolyte (Li 6 PS 5 Cl) with the LNMO cathode is due to the intrinsic chemical incompatibility and poor oxidative stability. Through a careful analysis of the interphase of LNMO, it is elucidated that even the halide solid electrolyte (Li 3 InCl 6 ) with high oxidative stability can be decomposed to form resistive interphase layers with LNMO in ASSBs. Interestingly, with Fe-doping and a Li 3 PO 4 protective layer coating, LNMO with Li 3 InCl 6 displays stable cycle performance with a stabilized interphase at a high voltage (≈4.7 V) in ASSBs. The enhanced interfacial stability with the extended electrochemical stability window through doping and coating enables high electrochemical stability with LNMO in ASSBs. Furthermore, this work provides guidance for employing high-voltage cathodes in ASSBs and highlights the importance of stable interphases to enable stable cycling in ASSBs.

25 ENERGY STORAGE↗
DOE OSTI2014

The Role of FeS in Initial Activation and Performance Degradation of Na-NiCl 2 Batteries

The role of iron sulfide (FeS) in initial cell activation and degradation in the Na-NiCl 2 battery was investigated in this work. The research focused on identifying the effects of the FeS level on the electrochemical performance and morphological changes in the cathode. The x-ray photoelectron spectroscopy study along with battery tests revealed that FeS plays a critical role in initial battery activation by removing passivation layers on Ni particles. It was also found that the optimum level of FeS in the cathode resulted in minimum Ni particle growth and improved battery cycling performance. The results of electrochemical characterization indicated that sulfur species generated in situ during initial charging, such as polysulfide and sulfur, are responsible for removing the passivation layer. Consequently, the cells containing elemental sulfur in the cathode exhibited similar electrochemical behavior during initial charging compared to that of the cells containing FeS.

25 ENERGY STORAGE↗
DOE OSTI2025

Deconvoluting the impact of current collector structure and electrolyte selection on Coulombic efficiency of lithium metal anodes

Lithium metal batteries are regarded as a promising avenue for significantly boosting the gravimetric energy density of batteries, particularly for electric vehicles. However, the instability of the lithium metal anode continues to hinder performance. While 3D structured current collectors for lithium metal anodes have been frequently proposed as a solution, few studies explore the impact of these structures when combined with various electrolytes and the inclusion of a lithium reservoir within the structure. This study pairs four commercially available copper current collectors with four different electrolytes to assess how these factors influence cycling performance with a 4 mAh/cm2 lithium reservoir. Coulombic efficiency (CE) measurements revealed no statistically significant difference in CE across different current collectors within the same electrolyte. However, significant variations were noted when the current collector remained intact, and the electrolyte was changed. Although polarization, electrochemical impedance, and lithium morphology varied between structures and electrolytes, no consistent patterns emerged to suggest superior performance by any specific current collector structure. Therefore, the choice of structure appears inconsequential when a lithium reservoir is present, and efforts should focus on selecting and designing the electrolyte.

White, Julia↗
DOE OSTI2015

A high performance hybrid battery based on aluminum anode and LiFePO 4 cathode

A unique battery hybrid utilizes an aluminum anode, a LiFePO 4 cathode and an acidic ionic liquid electrolyte based on 1-ethyl-3-methylimidazolium chloride (EMImCl) and aluminum trichloride (AlCl 3 ) (EMImCl-AlCl 3 , 1-1.1 in molar ratio) with or without LiAlCl 4 is proposed. This hybrid ion battery delivers an initial high capacity of 160 mAh g -1 at a current rate of C/5. It also shows good rate capability and cycling performance.

25 ENERGY STORAGE↗
DOE OSTI2018

High-Temperature Electrochemical Performance of FeF{sub 3}/C Nanocomposite as a Cathode Material for Lithium-Ion Batteries

Iron trifluoride has been studied as a cathode material due to its cost-effectiveness, low toxicity, and high theoretical capacities of 712 mA h g{sup −1}. However, FeF{sub 3} has serious shortcomings of poor electronic conductivity and a slow diffusion rate of lithium ions, leading to a lower reversible specific capacity. In this work, FeF{sub 3}/C nanocomposite has been synthesized successfully via a high-energy ball-milling method, and acetylene black is used as the conductive agent to improve the conductivity of FeF{sub 3}. The FeF{sub 3}/C nanocomposite shows a high initial discharge capacity of 346.25 and 161.58 mA h g{sup −1} after 40th cycle at 50 mA g{sup −1}. It exhibits good cycle performance and rate performance. The high-temperature discharge capacities decreased with increase in the temperature. The initial high-temperature discharge capacities are found to be 254.17, 300.01, 281.25 and 125.16, and 216.875, 156, 141.67, 150, and 64.98 mA h g{sup −1} at 20th cycles at the 40, 50, 60, and 70 °C, respectively.

77 NANOSCIENCE AND NANOTECHNOLOGY↗