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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Interstitial and interlayer ion diffusion geometry extraction in graphitic nanosphere battery materials

Large-scale molecular dynamics (MD) simulations are commonly used for simulating the synthesis and ion diffusion of battery materials. A good battery anode material is determined by its capacity to store ion or other diffusers. However, modeling of ion diffusion dynamics and transport properties at large length and long time scales would be impossible with current MD codes. To analyze the fundamental properties of these materials, therefore, we turn to geometric and topological analysis of their structure. In this paper, we apply a novel technique inspired by discrete Morse theory to the Delaunay triangulation of the simulated geometry of a thermally annealed carbon nanosphere. We utilize our computed structures to drive further geometric analysis to extract the interstitial diffusion structure as a single mesh. Lastly, our results provide a new approach to analyze the geometry of the simulated carbon nanosphere, and new insights into the role of carbon defect size and distribution in determining the charge capacity and charge dynamics of these carbon based battery materials.

25 ENERGY STORAGE↗
NASA NTRS1992

Mathematical modeling of a primary zinc/air battery

The mathematical model developed by Sunu and Bennion has been extended to include the separator, precipitation of both solid ZnO and K2Zn(OH)4, and the air electrode, and has been used to investigate the behavior of a primary Zn-Air battery with respect to battery design features. Predictions obtained from the model indicate that anode material utilization is predominantly limited by depletion of the concentration of hydroxide ions. The effect of electrode thickness on anode material utilization is insignificant, whereas material loading per unit volume has a great effect on anode material utilization; a higher loading lowers both the anode material utilization and delivered capacity. Use of a thick separator will increase the anode material utilization, but may reduce the cell voltage.

Mao, Z.↗
DOE OSTI2022

Updated Production Inventory for Lithium-Ion Battery Anodes for the GREET® Model, and Review of Advanced Battery Chemistries

The Greenhouse gases, Regulated Emissions, and Energy use in Technologies (GREET®) model considers lithium-ion batteries with multiple anode materials. Synthetic graphite is the primary anode material used in the previous GREET versions, even as the model offered options to choose a lithium anode and/or a blended anode (blend of synthetic graphite and silicon). Yet, the inventory (material and energy flows) considered for these anodes is dated, and the anode options do not consider natural graphite, which is another important anode material for lithium-ion batteries. This report documents the material and energy flows for natural graphite anode production from raw material extraction to anode production – as incorporated in the updated GREET model. We also present a brief literature review on the current state of inventory for the other three anodes (synthetic graphite, silicon, and lithium), as well as updates made in the recent GREET model on material and energy flows associated with their respective production. Finally, this study provides a summary of advanced battery systems that may be alternatives to LIBs for use in future electric vehicles.

25 ENERGY STORAGE↗
DOE OSTI2017

Yolk-shell structured Sb@C anodes for high energy Na-ion batteries

Despite great advances in sodium-ion battery developments, the search for high energy and stable anode materials remains a challenge. Alloy or conversion-typed anode materials are attractive candidates of high specific capacity and low voltage potential, yet their applications are hampered by the large volume expansion and hence poor electrochemical reversibility and fast capacity fade. Here, we use antimony (Sb) as an example to demonstrate the use of yolk-shell structured anodes for high energy Na-ion batteries. The Sb@C yolk-shell structure prepared by controlled reduction and selective removal of Sb2O3 from carbon coated Sb2O3 nanoparticles can accommodate the Sb swelling upon sodiation and improve the structural/electrical integrity against pulverization. It delivers a high specific capacity of ~554 mAh•g-1, good rate capability (315 mhA•g-1 at 10C rate) and long cyclability (92% capacity retention over 200 cycles). Full-cells of O3-Na0.9[Cu0.22Fe0.30Mn0.48]O2 cathodes and Sb@C-hard carbon composite anodes demonstrate a high specific energy of ~130 Wh•kg-1 (based on the total mass of cathode and anode) in the voltage range of 2.0-4.0 V, ~1.5 times energy of full-cells with similar design using hard carbon anodes.

Song, Junhua↗
DOE OSTI2018

Alkali metal halide cells

An improved alkali metal halide cell including an anode module having at least (i) one planar module including a porous assembly and (ii) that encloses an active anode material in an anode reservoir; and a cathode having active cathode material; where the porous assembly is coated with a thin ion-conducting layer that separates the active anode material enclosed within the anode module from the cathode material, and the anode and cathode are contained in a housing having one or more compartments.

Raub, Eric R.↗
DOE OSTI2019

Electrolytes and metal hydride batteries

Metal hydride batteries comprising an electrolyte composition which comprises an aqueous solution comprising potassium hydroxide (KOH) and one or more halide and/or oxyacid salts exhibit reduced degradation of the anode material during operation. The salts are for instance alkali metal salts. Anode materials exhibit for instance <100 % of the degradation of the same anode material in the same battery when replacing the electrolyte composition with 30 weight percent (wt %) aqueous KOH and the conductivity of the electrolyte composition is for instance ≥85 % of 30 wt % aqueous KOH. Anode materials are for example ABx high capacity hydrogen storage alloys comprising Mg where x is from about 0.5 to about 5 and which has a discharge capacity of ≥400 mAh/g.

25 ENERGY STORAGE↗
DOE OSTI2024

Coal-derived carbon anodes for lithium-ion batteries: Development, challenges, and prospects

Lithium-ion battery (LIB) development has increased rapidly, requiring low-cost anode materials with a high capacity, high-rate performance, and stable lifespan. Carbon-based anodes possess various exceptional morphologies and structures, making them promising candidates for meeting the technical demands; however, conventional synthetic carbon anode processes need expensive feedstocks that increase anode cost and limit commercialization. Coal, the most affordable and abundant carbon resource, has attracted increasing attention as the primary feedstock for producing high-value carbon anode materials. This article reviews the lithium storage mechanisms, characteristics, and productions of some high-valuable carbon anode materials for LIBs from coal and coal derivatives. The high-value carbon anode materials reviewed in this article are graphite, graphene, mesophase microbeads (MCMB), carbon fiber, and hard carbons. Furthermore, the remaining challenges and prospects of using coal-derived carbon materials to create high-performance and low-cost lithium-ion batteries are also discussed.

25 ENERGY STORAGE↗
DOE OSTI2021

Status Report on the Electroreduction of Metal Oxides

SRNL is working with Argonne National Laboratory (ANL) to adapt and demonstrate the electroreduction technology. SRNL will also draw on the extensive work cited in the literature and the experience gained at Y-12. Since most of the development efforts have focused on irradiated UO 2 fuel pellets, several noteworthy gaps exist in the technology for processing purified U 3 O 8 powder. SRNL research efforts will address some of those gaps. This report focuses on two activities. Task 1 is to establish an electrochemical reduction test capability at SRNL. Task 2 is to evaluate potential alternate anode materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Advanced Anode for Internal Reforming and Thermal Management in Solid Oxide Fuel Cells

Solid oxide fuel cell (SOFC) is an efficient and clean electrical power generation system compared to conventional combustion based technologies with energy efficiency reaching as high as 85-90% in co-generation mode (electricity and heat). Other advantages of SOFCs are hybridization, modularity of construction, small CO 2 foot print per kWh of generated electricity and fuel flexibility. Hydrocarbons present in the gaseous fuel is utilized in SOFCs by internal or external reforming. There are two different internal reforming concepts: Direct Internal Reforming (DIR) and Indirect Internal Reforming (IIR). For DIR operation, the endothermic reforming reaction and the exothermic reaction from the oxidation reaction are operated together in the single unit eliminating the requirement for a separate fuel reformer. This configuration also simplifies the overall system design, making SOFC more attractive and efficient means of producing electrical power. The main advantage of the DIR type of operation is that the H 2 or CO consumption by the electrochemical reaction could directly promote the conversion of methane at the anode side of the fuel cell resulting in high conversion and high efficiency. The DIR operation, however, requires an anode material that has desired dual catalytic (hetero and electro) properties for reforming reaction and electrochemical reactions. The anode materials also need to remain resistant to carbon formation at the operating temperature and atmosphere with stable cell performance. Another requirement is to match the reforming reactions and electrochemical reactions to avoid local cooling or overheating, which can result in mechanical failure due to thermally induced stresses. Direct internal reforming (DIR) of hydrocarbon fuels simplifies the overall SOFC system design making it more attractive and efficient for producing electrical power. Low cost alloy anodes for distributed internal reforming of methane and other hydrocarbon fuels offer increased fuel-flexibility, reliability, and long term performance stability of solid oxide fuel cells (SOFC). The research program examined modification of the chemical compositions and microstructure of high entropy alloy (HEA) anode materials using thermochemical calculations and process simulation and modeling to achieve distributed reforming over the entire anode to eliminate hot zones. Cell fabrication and testing of the HEA anodes using button cell configuration has been performed to demonstrate the advantages of new anode over traditional Ni-YSZ anodes for distributed reforming and carbon free operation. Technical accomplishments include identification and synthesis of HEA carbon-resistant anode, demonstration of reduction in reforming rate confirmed by GC and modelling data validating effectiveness for thermal management in cell/stacks, electrochemical testing of HEA anode in single cell (HEA-GDC||YSZ||LSM-YSZ) and Characterization of pretest and posttest anode materials by TEM and SEM-EDS confirming carbon-free operation.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2018

Controllable synthesis of CNT@ZnO composites with enhanced electrochemical properties for lithium-ion battery

Highlights: • The optimized CNT@ZnO composites deliver 709.2 mAh g{sup −1} at 100 mA g{sup −1} after 50 cycles. • The structure of CNT@ZnO composites has the advantages of both ZnO and MWCNTs. • The optimized CNT@ZnO composites are promising anode materials for LIBs. - Abstract: The design and synthesis of anode materials with novel structures are one of crucial issues for developing next-generation lithium-ion battery. In this work, carbon nanotube@zinc oxide (CNT@ZnO) composites are synthesized by a liquid-phase method using CNTs as a conductive support. The design of CNT@ZnO composites combines the advantages of both ZnO nanoparticles and CNTs. The optimized CNT@ZnO composite exhibits the superior cycling and rate performance. It could deliver a discharge capacity of 709.2 mAh g{sup −1} at 100 mA g{sup −1} after 50 cycles. The electrochemical results indicate that the as-synthesized CNT@ZnO composite is superior in enhancing the electrochemical performance of ZnO-based anode materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Note: Sample chamber for in situ x-ray absorption spectroscopy studies of battery materials

In situ x-ray absorption spectroscopy (XAS) provides element specific characterization of both crystalline and amorphous phases and enables direct correlations between electrochemical performance and structural characteristics of cathode and anode materials. In situ XAS measurements are very demanding to the design of the experimental setup. We have developed the sample chamber that provides electrical connectivity and inert atmosphere for the operating electrochemical cells and also accounts for x-ray interactions with chamber and the cell materials. The design of the sample chamber for in situ measurements is presented along with the example XAS spectra from the anode materials in operating pouch cells at Zn and Sn K-edges measured.in fluorescence and transmission modes respectively.

25 ENERGY STORAGE↗
DOE OSTI2019

From natural material to high-performance silicon based anode: Towards cost-efficient silicon based electrodes in high-performance Li-ion batteries

As one of the highest specific capacity anode materials in lithium-ion batteries, the main technical issue for silicon (Si) based electrodes is the rapid capacity fading caused by the huge volume changes. Porous Si materials are reported to efficiently alleviate the side effects of volume fluctuation. However, the expensive precursor and complicated production process in previous reports limited their practical applications. Herein, we report a cost-efficient approach on the fabrication of porous Si via the low temperature aluminothermic reduction of low cost natural raw materials, combining the advantages of low temperature and natural materials. The porous structure of attapulgite-derived Si (Si ATP ) is well retained during the compositing process. The obtained composite electrode Si ATP /graphite@carbon (Si ATP /G@C) exhibits excellent electrochemical performance, with a reversible discharge capacity of 799 mAh g -1 after 100 cycles. To demonstrate the versatility of the approach, another natural ore, mica (MIC), was also utilized to the fabrication of porous Si (SiMIC). As expected, the SiMIC/graphite@carbon composite electrode also exhibits high specific capacity (697 mAh g -1 after 100 cycles), superior capacity retention (81% after 100 cycles based the 4th cycle), and outstanding rate capability.

25 ENERGY STORAGE↗
DOE OSTI2015

Recent Development on Anodes for Na-Ion Batteries

New discoveries in anode materials for sodium ion batteries (NIBs) are highly necessary to achieve the goals of widespread applications, such as electric vehicles (EVs) and grid-level energy storage. Carbon-based materials are critical for this task as they are inexpensive, abundant, and versatile. They contain a plethora of structures and morphologies, ranging from highly ordered graphite or nanotubes to highly disordered amorphous carbon, thus making them very attractive for electrochemical energy storage. This review attempts to cover past and recent progress in the development of carbon-based anode materials for NIBs. To give a larger context, the article will briefly cover other anode materials for NIBs as well. The aim of this paper is to provide a timely update for researchers currently involved in the respective fields or to serve as a starting point for individuals who would like to gain a greater knowledge of new NIB anode materials.

Bommier, C↗
DOE OSTI2021

Stress- and interface-compatible red phosphorus anode for high-energy and durable sodium-ion batteries

Sodium-ion battery is a promising candidate for energy storage application, but the absence of high-capacity and low-cost anode materials significantly limit their practical specific energy and cost. Red phosphorus (RP) possesses a high theoretical specific capacity but suffers from large volume change, low electronic conductivity and unstable solid-electrolyte interphase (SEI). Herein, a hierarchical micro/nanostructured antimony-doped RP/carbon anode was developed, which demonstrate extraordinary electrochemical performance with high initial Coulombic efficiency of ~90%, high areal (~1.7 mAh cm-2) capacity together with good cycle stability and rate capability. Combined experimental and computational studies consistently revealed that such a unique structural design can dramatically accommodate the mechanical stress and moreover effectively restrain the undesired decomposition of electrolyte solvents regardless of electrolytes formulation, resulting in superior structural integrity and thin/robust SEI formation during cycling. The present finding has offered an alternative strategy for stress management and interface engineering on high-capacity alloying-based anode materials.

Liu, Xiang↗
DOE OSTI2017

Chemical Synthesis of 3D Graphene-Like Cages for Sodium-Ion Batteries Applications

Sodium (Na) super ion conductor structured Na3V2(PO4)3 (NVP) is extensively explored as cathode material for sodium-ion batteries (SIBs) due to its large interstitial channels for Na+ migration. The synthesis of 3D graphene-like structure coated on NVP nanoflakes arrays via a one-pot, solid-state reaction in molten hydrocarbon is reported. The NVP nanoflakes are uniformly coated by the in situ generated 3D graphene-like layers with the thickness of 3 nm. As a cathode material, graphene covered NVP nanoflakes exhibit excellent electrochemical performances, including close to theoretical reversible capacity (115.2 mA h g-1 at 1 C), superior rate capability (75.9 mA h g-1 at 200 C), and excellent cyclic stability (62.5% of capacity retention over 30000 cycles at 50 C). Furthermore, the 3D graphene-like cages after removing NVP also serve as a good anode material and deliver a specific capacity of 242.5 mA h g-1 at 0.1 A g-1. The full SIB using these two cathode and anode materials delivers a high specific capacity (109.2 mA h g-1 at 0.1 A g-1) and good cycling stability (77.1% capacity retention over 200 cycles at 0.1 A g-1).

Cao, Xinxin↗
DOE OSTI2015

Microwave exfoliated graphene oxide/TiO{sub 2} nanowire hybrid for high performance lithium ion battery

Lithium ion battery (LIB) is a key solution to the demand of ever-improving, high energy density, clean-alternative energy systems. In LIB, graphite is the most commonly used anode material; however, lithium-ion intercalation in graphite is limited, hindering the battery charge rate and capacity. To date, one of the approaches in LIB performance improvement is by using porous carbon (PC) to replace graphite as anode material. PC's pore structure facilitates ion transport and has been proven to be an excellent anode material candidate in high power density LIBs. In addition, to overcome the limited lithium-ion intercalation obstacle, nanostructured anode assembly has been extensively studied to increase the lithium-ion diffusion rate. Among these approaches, high specific surface area metal oxide nanowires connecting nanostructured carbon materials accumulation have shown promising results for enhanced lithium-ion intercalation. Herein, we demonstrate a hydrothermal approach of growing TiO{sub 2} nanowires (TON) on microwave exfoliated graphene oxide (MEGO) to further improve LIB performance over PC. This MEGO-TON hybrid not only uses the high surface area of MEGO but also increases the specific surface area for electrode–electrolyte interaction. Therefore, this new nanowire/MEGO hybrid anode material enhances both the specific capacity and charge–discharge rate. Scanning electron microscopy and X-ray diffraction were used for materials characterization. Battery analyzer was used for measuring the electrical performance of the battery. The testing results have shown that MEGO-TON hybrid provides up to 80% increment of specific capacity compared to PC anode.

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

Advances and perspectives of hard carbon anode modulated by defect/hetero elemental engineering for sodium ion batteries

Sodium-ion batteries (SIBs) serve as a promising complement to lithium-ion batteries for large-scale energy storage, leveraging the abundance of sodium resources and notable safety advantages. The key advancement in SIB industrialization hinges on identifying a cost-effective and high-performance anode material, similar to the graphite anode in lithium-ion batteries. Hard carbon emerges as prime anode materials for SIBs, boasting high specific capacity, low sodium storage potential, and wide availability. However, practical applications of hard carbon encounters challenges such as low initial Coulombic efficiency (ICE), inadequate long-term cycling stability, and poor rate performance. Recent research has focused on the optimization of hard carbon electrodes through functional design. In this comprehensive review, we have meticulously examined the progress in enhancing sodium storage performance through microstructural modulation within hard carbon, encompassing four pivotal aspects: heteroatom doping, incorporation of oxygen functional groups, surface coating, and intrinsic defect engineering. Progress in implementing these strategies is scrutinized, while the merits and challenges of each defect engineering approach are discussed. In conclusion, this review also looks into forthcoming opportunities and challenges in the practical application process of hard carbon electrodes in SIBs.

25 ENERGY STORAGE↗
DOE OSTI2020

Evolution of solid electrolyte interphase and active material in the silicon wafer model system

Alloying anode materials for lithium-ion batteries, such as silicon (Si), are an important focus of materials research due to the demand for increased energy density for electric vehicles and stationary grid storage. However, progress towards next generation anode materials has been hindered by poor capacity retention due to the instability of the Si active material and the solid electrolyte interphase (SEI). Herein, the evolution of the active Si material and the SEI are simultaneously investigated from the perspective of chemical, structural, morphological, and electronic evolution in the Si wafer model system through its cycling life, using time-of-flight secondary ion mass spectrometry (TOF-SIMS), scanning transmission electron microscopy (STEM), atomic force microscopy (AFM), and scanning spreading resistance microscopy (SSRM). The results illustrate a dynamic evolution of the SEI and active Si material through cycling. Through an improved understanding of evolution of SEI and Si active material within the Si wafer model system, mitigation strategies may be designed to extend the lifetime of Si anodes.

25 ENERGY STORAGE↗