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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Red Phosphorus-Embedded Cross-Link-Structural Carbon Films as Flexible Anodes for Highly Reversible Li-Ion Storage

Red phosphorus (P) is considered to be one of the most attractive anodic materials for lithium-ion batteries (LIBs) due to its high theoretical capacity of 2596 mAh g –1 . However, intrinsic characteristics such as the poor electronic conductivity and large volume expansion at lithiation impede the development of red P. Here, we design a new strategy to embed red P particles into a cross-link-structural carbon film (P–C film), in order to improve the electronic conductivity and accommodate the volume expansion. The red P/carbon film is synthesized via vapor phase polymerization (VPP) followed by the pyrolysis process, working as a flexible binder-free anode for LIBs. High cycle stability and good rate capability are achieved by the P–C film anode. With 21% P content in the film, it displays a capacity of 903 mAh g –1 after 640 cycles at a current density of 100 mA g –1 and a capacity of 460 mAh g –1 after 1000 cycles at 2.0 A g –1 . Additionally, the Coulombic efficiency reaches almost 100% for each cycle. As a result, the superior properties of the P–C films together with their facile fabrication make this material attractive for further flexible and high energy density LIB applications.

25 ENERGY STORAGE↗
DOE OSTI2018

Graphene Oxide‐Template Controlled Cuboid‐Shaped High‐Capacity VS 4 Nanoparticles as Anode for Sodium‐Ion Batteries

Abstract Room‐temperature sodium‐ion batteries have attracted great attentions for large‐scale energy storage applications in renewable energy. However, exploring suitable anode materials with high reversible capacity and cyclic stability is still a challenge. The VS 4 , with parallel quasi‐1D chains structure of V 4+ (S 2 2− ) 2 , which provides large interchain distance of 5.83 Å and high capacity, has showed great potential for sodium storage. Here, the uniform cuboid‐shaped VS 4 nanoparticles are prepared as anode for sodium‐ion batteries by the controllable of graphene oxide (GO)‐template contents. It exhibits superb electrochemical performances of high‐specific charge capacity (≈580 mAh·g −1 at 0.1 A·g −1 ), long‐cycle‐life (≈98% retain at 0.5 A·g− 1 after 300 cycles), and high rates (up to 20 A·g −1 ). In addition, electrolytes are optimized to understand the sodium storage mechanism. It is thus demonstrated that the findings have great potentials for the applications in high‐performance sodium‐ion batteries.

Wang, Sizhe↗
DOE OSTI2013

Fe-substituted SrTiO 3-δ -Ce 0.9 Gd 0.1 O 2 composite anodes for solid oxide fuel cells

A new composite solid oxide fuel cell anode material, SrTi 1-x Fe x O 3-δ mixed with Gd-doped ceria, was tested in La 0.9 Sr 0.1 Ga 0.8 Mg 0.2 O 3-δ electrolyte-supported cells with La 0.4 Ce 0.6 O 2 barrier layers and La 0.6 Sr 0.4 Fe 0.8 Co 0.2 O 3 cathodes. The x = 0.7 composition had an anode polarization resistance of 0.17 Ω cm 2 , at 800 °C in humidified H 2 , much lower than the value 0.39 Ω cm 2 measured for x = 0.4 and 3.14 Ω cm 2 for x = 0. The reduced polarization resistance correlated with increased oxygen non-stoichiometry δ, which suggests that it may be related to increased ionic conductivity. Electrochemical impedance spectroscopy (EIS) measurements at 800 °C on the x = 0.7 anode cell showed a main response centered at ~1 Hz that increased with decreasing hydrogen partial pressure. The maximum power density observed was for the x = 0.7 cell – 337 mW cm -2 at 800 °C in air and humidified hydrogen – and was limited mainly by the thick electrolyte.

Cho, Sungmee↗
NASA NTRS2018

Electrolytes for Low Impedance, Wide Operating Temperature Range Lithium-Ion Battery Module

A lithium ion battery cell includes a housing, a cathode disposed within the housing, wherein the cathode comprises a cathode active material, an anode disposed within the housing, wherein the anode comprises an anode active material, and an electrolyte disposed within the housing and in contact with the cathode and anode. The electrolyte consists essentially of a solvent mixture, a lithium salt in a concentration ranging from approximately 1.0 molar (M) to approximately 1.6 M, and an additive mixture. The solvent mixture includes a cyclic carbonate, an non-cyclic carbonate, and a linear ester. The additive mixture consists essentially of lithium difluoro(oxalato)borate (LiDFOB) in an amount ranging from approximately 0.5 weight percent to approximately 2.0 weight percent based on the weight of the electrolyte, and vinylene carbonate (VC) in an amount ranging from approximately 0.5 weight percent to approximately 2.0 weight percent based on the weight of the electrolyte.

Hallac, Boutros↗
DOE OSTI2021

Engineering the Si Anode Interface via Particle Surface Modification: Embedded Organic Carbonates Lead to Enhanced Performance

Si nanoparticles (SiNPs) are recognized as a promising anode material for next-generation high-energy lithium-ion batteries. However, due to the more stringent requirements resulting from severe volume change, the solid-electrolyte interphase (SEI) on SiNPs plays a critical role in determining their cycling performance. Engineering the interface for higher stability has become an effective yet challenging approach to accommodate the deterioration of the silicon anode from the repeated lithiation/delithiation process. Herein, we report a novel approach of engineering a covalently bonded organic monolayer of ethylene carbonates onto the surface of the SiNPs that can help form a sturdy SEI. Finally, this molecule-level surface modification provides an effective approach to enable high-energy lithium-ion batteries with Si anodes.

25 ENERGY STORAGE↗
DOE OSTI2025

Resistive Switching of Spinel Li 4 Ti 5 O 12 Lithium-Ion Battery Material for Neuromorphic Computing

The rapid rise of AI has exposed significant limitations in conventional Von Neumann computing architecture, particularly in regard to speed and energy efficiency. To address these challenges, researchers are exploring a brain-inspired neuromorphic architecture that mimics biological neural networks, enabling massive parallel processing with reduced power consumption for complex AI computational demands. Recent interest has focused on utilizing battery electrodes and solid electrolyte materials for their resistive switching properties in developing a neuromorphic architecture. These properties are precisely tuned through local- and bulk-level chemical composition modifications via voltage bias stimuli. In this study, we demonstrate fabricating a three-terminal lithium-ion electrochemical transistor based on lithium titanium oxide (Li 4 Ti 5 O 12 ), a popular lithium-ion battery anode material. We deposited and characterized LTO thin films using RF sputtering, demonstrating a 6 orders of magnitude increase in electronic conductivity upon lithiation, with conductivity plateauing after 20% lithiation. Density functional theory calculations revealed transformation from the insulating to conducting state, supported by experimental characterization through X-Ray Photoelectron Spectroscopy (XPS) and Direct Current (DC) polarization analyses. The fabricated transistor consisted of LTO as the channel layer, gold as source/drain terminals, lithium phosphorus oxynitride (LiPON) as the lithium-ion conductor, and copper as the gate terminal. The device exhibited clear hysteresis in transfer characteristics due to lithium insertion/extraction processes. Long-term potentiation (LTP) and long-term depression (LTD) measurements showed an asymmetric ratio of 1.425 and maximum/minimum conductance ratio of 7.83. When implemented in a deep neural network (DNN) for MNIST handwritten digit recognition, the device achieved 92.03% accuracy over 20 training epochs. Detailed transport mechanism analysis revealed the crucial role of oxygen vacancies and interface effects in device operation. Our preliminary findings establish LTO-based lithium-ion electrochemical transistors as promising candidates for energy-efficient neuromorphic computing applications, offering potential solutions to traditional Von Neumann architecture limitations.

25 ENERGY STORAGE↗
NASA NTRS2003

Liquid Coatings for Reducing Corrosion of Steel in Concrete

Inorganic coating materials are being developed to slow or stop corrosion of reinforcing steel members inside concrete structures. It is much simpler and easier to use these coating materials than it is to use conventional corrosion-inhibiting systems based on impressed electric currents. Unlike impressed electrical corrosion-inhibiting systems, these coatings do not require continuous consumption of electrical power and maintenance of power-supply equipment. Whereas some conventional systems involve the use of expensive arc-spray equipment to apply the metallic zinc used as the sacrificial anode material, the developmental coatings can be applied by use of ordinary paint sprayers. A coating material of the type under development is formulated as a liquid containing blended metallic particles and/or moisture-attracting compounds. The liquid mixture is sprayed onto a concrete structure. Experiments have shown that even though such a coat resides on the exterior surface, it generates a protective galvanic current that flows to the interior reinforcing steel members. By effectively transferring the corrosion process from the steel reinforcement to the exterior coating, the protective current slows or stops corrosion of the embedded steel. Specific formulations have been found to meet depolarization criteria of the National Association of Corrosion Engineers (NACE) for complete protection of steel reinforcing bars ("rebar") embedded in concrete.

MacDowell, Louis G.↗
DOE OSTI2015

Scalable Synthesis of Defect Abundant Si Nanorods for High-Performance Li-Ion Battery Anodes

Microsized nanostructured silicon–carbon composite is a promising anode material for high energy Li-ion batteries. However, large-scale synthesis of high-performance nano-Si materials at a low cost still remains a significant challenge. Here we report a scalable low cost method to synthesize Al/Na-doped and defect-abundant Si nanorods that have excellent electrochemical performance with high first-cycle Coulombic efficiency (90%). The unique Si nanorods are synthesized by acid etching the refined and rapidly solidified eutectic Al–Si ingot. To maintain the high electronic conductivity, a thin layer of carbon is then coated on the Si nanorods by carbonization of self-polymerized polydopamine (PDA) at 800 °C. The carbon coated Si nanorods (Si@C) electrode at 0.9 mg cm –2 loading (corresponding to area-specific-capacity of ~2.0 mAh cm –2 ) exhibits a reversible capacity of ~2200 mAh g –1 at 100 mA g –1 current, and maintains ~700 mAh g –1 over 1000 cycles at 1000 mA g –1 with a capacity decay rate of 0.02% per cycle. High Coulombic efficiencies of 87% in the first cycle and ~99.7% after 5 cycles are achieved due to the formation of an artificial Al 2 O 3 solid electrolyte interphase (SEI) on the Si surface, and the low surface area (31 m 2 g –1 ), which has never been reported before for nano-Si anodes. The excellent electrochemical performance results from the massive defects (twins, stacking faults, dislocations) and Al/Na doping in Si nanorods induced by rapid solidification and Na salt modifications; this greatly enhances the robustness of Si from the volume changes and alleviates the mechanical stress/strain of the Si nanorods during the lithium insertion/extraction process. Introducing massive defects and Al/Na doping in eutectic Si nanorods for Li-ion battery anodes is unexplored territory. We venture this uncharted territory to commercialize this nanostructured Si anode for the next generation of Li-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2018

Elucidating mechanisms of Li plating on Li anodes of lithium-based batteries

Lithium metal is known as a very promising anode material for lithium-based batteries possessing a quite high theoretical capacity. But it has been kept away from practical applications due to its extreme reactivity and potential safety hazards led by serious dendrite growth. The origins of dendrite formation may be associated with the mechanisms of Li plating and with the mode of charge transfer during Li reduction or oxidation at the anode-electrolyte interface. Here, density functional theory (DFT) calculations are conducted to analyze the electron transfer between Li (100) and Li cations located in the proximity of the surface in several simulation models. The study includes two common used solvents: ethylene carbonate and dimethoxyethane (EC and DME), and a LiPF 6 salt, that surround the Li cation over perfect, defect-containing, and Li 2 CO 3 -passivated Li (100) surfaces. Our calculations demonstrate that the Li cation is easily reduced when bonding to DME rather than EC and its preferred deposition site is the hollow site on both perfect and defective Li (100). Additionally, a compact Li 2 CO 3 layer inhibits the charge transfer from Li metal to Li cations, thus modifying Li plating. It is concluded that the extreme reactivity of the Li metal surface induces a strongly inhomogeneous electron distribution upon deposition of a cation on the surface. This strong charge inhomogeneity may promote uneven Li nucleation and growth, eventually resulting in dendritic behavior.

25 ENERGY STORAGE↗
DOE OSTI2022

Spontaneous Lithiation of Binary Oxides during Epitaxial Growth on LiCoO 2

Epitaxial growth is a powerful tool for synthesizing heterostructures and integrating multiple functionalities. Interfacial mixing can readily occur at temperatures required for complete film crystallization and can significantly modify the properties of layered structures, particularly for those containing energy storage materials with smaller cations. Here we show a two-step sequence involving the growth of an epitaxial LiCoO 2 cathode layer followed by the deposition of a binary transition metal oxide (WO 3 , TiO 2 , and others) in which controlled lithiation of the binary oxide occurs. Orientation-controlled epitaxial synthesis of the model solid-state-electrolyte Li 2 WO 4 and model anode material Li 4 Ti 5 O 12 occurs as WO 3 and TiO 2 nucleate their respective host lattices and attract Li ions from the underlying cathode. The cathode layer readily provides a tunable amount of Li ions for the controlled lithiation of the subsequent layer. We demonstrate that this approach can be used for energy materials discovery and exploring different combinations of epitaxial interfaces that can serve as well-defined model systems for mechanistic studies of energy storage and conversion processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Lithium Transport in an Amorphous Li x Si Anode Investigated by Quasi-elastic Neutron Scattering

Here, we demonstrate the room temperature mechanochemical synthesis of highly defective Li x Si anode materials and characterization of the Li transport. We probed the Li + self-diffusion using quasi-elastic neutron scattering (QENS) to measure the Li self-diffusion in the alloy. Li diffusion was found to be significantly greater (3.0 × 10 –6 cm 2 s –1 ) than previously measured crystalline and electrochemically made Li–Si alloys; the energy of activation was determined to be 0.20 eV (19 kJ mol –1 ). Amorphous Li–Si structures are known to have superior Li diffusion to their crystalline counterparts; therefore, the isolation and stabilization of defective Li–Si structures may improve the utility of Si anodes for Li-ion batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Composite Solid Ion Conductor with Engineered Lithium Interface

Successful widespread commercialization of electric vehicles is contingent upon development of safe high energy density batteries capable of long cycle life. Lithium metal affords the highest theoretical capacity (3,860 mAh/g) and lowest electrochemical potential (-3.04V vs SHE), which offers the highest specific energy density of anode materials today. While Li-ion batteries are capable of delivering energy densities of 400-600 Wh/kg, the development of lithium metal batteries such as Li-S and Li-air may boost this number up to 650 and 950 Wh/kg, respectively. However, significant progress towards the passivation of lithium metal must occur before the energy density benefit can be realized. Issues with lithium dendrite formation, anode volume expansion, and continuous solid electrolyte interphase (SEI) build-up often result in significant safety concerns, high cell resistance, and poor cycle life. The intrinsic high reactivity between lithium metal with conventional lithium ion electrolytes (organic carbonate-based solvents) makes it extremely difficult to overcome these problems. In this project, Wildcat performed focused, fundamental research and development on composite polymer/ceramic electrolytes and protected lithium metal anodes to develop an all solid state lithium metal battery targeting the DOE requirements to enable commercialization. Wildcat successfully leveraged its high throughput battery platform and explored a broad composite electrolyte compositional space. Additionally, Wildcat screened large numbers of inorganic and organic coatings for lithium metal protection using in situ liquid methods and translated the best results to all solid cells. The proposed composite polymer/ceramic electrolyte and a protected lithium metal anode enabled a solid-state lithium metal battery. The ultimate targets from this effort will deliver a safe all solid-state lithium metal pouch cell with over 350 Wh/kg and over 1,000 cycles (C/3) with the cost estimate below $100/kWh. During the course of the project, we demonstrated stable cycling of 10’s of cycles with the composite SSE and our protected lithium. The work has continued after the conclusion of the DOE funding, demonstrating further improvements in catholyte composition and thinner composite solid electrolytes.

25 ENERGY STORAGE↗
DOE OSTI2025

Influence of surface chemistry on Li nucleation energetics on graphene-based surfaces

Lithium metal is a promising high-capacity anode material for solid-state batteries, but it typically suffers from poor cyclability. Carbon scaffold hosts have the potential to improve this performance due to their high electronic conductivity and large surface area, which facilitates lithium-ion adsorption and desorption. Scaffold surface chemistry is known to significantly influence performance outcomes, but the details of these interactions are not fully understood. Here, this study employs first-principles simulations to explore lithium transport and nucleation on graphene anodes with various surface chemistries. Using enhanced sampling techniques, ab initio molecular dynamics, and density functional theory calculations, we find that although surface chemistry has a minimal impact on lithium interfacial transport, it influences surface nucleation significantly. Both heteroatom dopants and intrinsic defects lower the nucleation barrier, creating a more favorable environment for lithium nucleation compared to pristine graphene. In addition, our results reveal a complex interplay between surface lithium concentration, lithium transport, and nucleation kinetics. These findings highlight the potential of surface modifications to precisely control nucleation processes on carbon-based anodes and provide design guidance for reducing dendrite formation and improving the cycle life of solid-state batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Voltammetry measurements in lithium chloride-lithium oxide (LiCl–Li 2 O) salt: An evaluation of working electrode materials

Instrumentation to provide process monitoring (PM) and safeguards for the oxide reduction (OR) step in the electrochemical processing of used oxide nuclear fuel is necessary to ensure equipment is operated as declared. Cyclic voltammetry (CV) has been proposed for real-time monitoring of the operation of an OR process for safeguards purposes. In this study, different materials including 316 stainless steel (SS), tantalum (Ta), molybdenum (Mo), tungsten (W), platinum (Pt), and iridium (Ir) were evaluated as potential working electrode (WE) materials based on their chemical inertness, corrosion resistance, and sensitivity in detecting Li 2 O and other chloride salts in the OR electrolyte. Of the electrodes evaluated, 316 SS, Ir, and Pt all performed reasonably well in the LiCl-Li 2 O electrolyte. Here, stainless steel was operated in the cathodic potential and had reasonable corrosion resistance and is relatively inexpensive. Iridium could be operated in both the cathodic and anodic potentials and was the most corrosion resistant of those evaluated. Platinum is limited to the anodic potential range, had reasonable corrosion resistance, and was the most sensitive to Li 2 O concentrations in the salt. In the development of a stand-alone safeguards instrumentation, our recommendation is a CV sensor fitted with both Ir and Pt WEs. The results in this study may also be helpful for anode material selection in other electrometallurgy industries, such as molten salt electrolysis.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2019

Graphene Wrapped FeSe 2 Nano–Microspheres with High Pseudocapacitive Contribution for Enhanced Na–Ion Storage

Pseudocapacitance is a Faradaic process that involves surface or near surface redox reactions. Increasing the pseudocapacitive contribution is one of the most effective means to improve the rate performance of electrode materials. In this study, graphene oxide is used as a template to in situ synthesize burr globule–like FeSe 2 /graphene hybrid (B–FeSe 2 /G) using a facile one–step hydrothermal method. Structural characterization demonstrates that graphene layers not only wrap the surfaces of FeSe 2 particles, but also stretch into the interior of these particles, as a result of which the unique nano–microsphere structure is successfully established. When serving as anode material for Na–ion batteries, B–FeSe 2 /G hybrid displays high electrochemical performance in the voltage range of 0.5–2.9 V. The B–FeSe 2 /G hybrid has high reversible capacity of 521.6 mAh·g –1 at 1.0 A g –1 . Meanwhile, after 400 cycles, high discharge capacity of 496.3 mAh g –1 is obtained at a rate of 2.5 A g –1 , with a high columbic efficiency of 96.6% and less than 1.0% loss of discharge capacity. Even at the ultrahigh rate of 10 A g –1 , a specific capacity of 316.8 mAh g –1 can be achieved. Furthermore, kinetic analyses reveal that the excellent performance of the B–FeSe 2 /G hybrid is largely attributed to the high pseudocapacitive contribution induced by the special nano–micro structure.

25 ENERGY STORAGE↗
DOE OSTI2016

Impedance spectroscopy studies in cobalt ferrite-reduced graphene oxide nanocomposite

(1-x)Cobalt ferrite-(x)reduced graphene oxidenanocomposites with x=0, 0.1, 0.2 and 0.3 were prepared by the ultrasonic method. The crystal symmetry modification due to reduced graphene oxide and cobalt ferrite interaction has been studied by employing the X-ray diffraction technique. Morphology of the samples was studied by the Field emission scanning electron microscopy (FE-SEM). Study on electrical properties of the cobalt ferrite-reduced graphene oxide nanocomposites explores the possible application of these composites as anode material. Impedance decreases with an increase in frequency as well as temperature, which supports an increase in ac electrical conductivity. The modified Debye relaxation model can explain the behavior of impedance in cobalt ferrite-reduced graphene oxide nanocomposites.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Free-standing ultrathin lithium metal–graphene oxide host foils with controllable thickness for lithium batteries

Thin (≤20 μm) and free-standing Li metal foils would enable precise prelithiation of anode materials and high-energy-density Li batteries. Existing Li metal foils are too thick (typically 50 to 750 μm) or too mechanically fragile for these applications. Here, we developed a facile and scalable process for the synthesis of an ultrathin (0.5 to 20 μm), free-standing and mechanically robust Li metal foil within a graphene oxide host. In addition to low areal capacities of ~0.1 to 3.7 mAh cm –2 , this Li foil also has a much-improved mechanical strength over conventional pure Li metal foil. Our Li foil can improve the initial Coulombic efficiency of graphite (93%) and silicon (79.4%) anodes to around 100% without generating excessive Li residue, and increases the capacity of Li-ion full cells by 8%. In conclusion, the cycle life of Li metal full cells is prolonged by nine times using this thin Li composite anode.

25 ENERGY STORAGE↗