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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

High Nickel and No Cobalt - The Pursuit of Next-Generation Layered Oxide Cathodes

The prosperity of the electric vehicle industry is driving the research and development of lithium-ion batteries. As one of the core components in the entire battery system, cathode materials are currently facing major challenges in pushing higher capacity up to their theoretical limits and transitioning away from the unaffordable metals. To meet these requirements, the search for next-generation cathode materials has shifted to high-nickel and cobalt-free cathodes. In this review, we distinctly pointed out the shortcomings of cobalt in stabilizing layered structures, and systematically summarized the recent efforts to eliminate cobalt and achieve higher nickel content in layered cathode materials. Lastly, a reasonable prospect is put forward for further development of layered cathode materials and other promising candidates, which is likely to spur a wave of efforts toward developing high-performance and low-cost Li-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Structures of RNA ligase RtcB in complexes with divalent cations and GTP

Pyrococcus horikoshii (Pho) RtcB exemplifies a family of binuclear transition metal- and GTP-dependent RNA ligases that join 3'-phosphate and 5'-OH ends via RtcB-(histidinyl-N)–GMP and RNA 3' pp 5' G intermediates. We find that guanylylation of PhoRtcB is optimal with manganese and less effective with cobalt and nickel. Zinc and copper are inactive and potently inhibit manganese-dependent guanylylation. We report crystal structures of PhoRtcB in complexes with GTP and permissive (Mn, Co, Ni) or inhibitory (Zn, Cu) metals. Zinc and copper occupy the M1 and M2 sites adjacent to the GTP phosphates, as do manganese, cobalt, and nickel. The identity/positions of enzymic ligands for M1 (His234, His329, Cys98) and M2 (Cys98, Asp95, His203) are the same for permissive and inhibitory metals. The differences pertain to: (i) the coordination geometries and phosphate contacts of the metals; and (ii) the orientation of the His404 nucleophile with respect to the GTP α-phosphate and pyrophosphate leaving group. M2 metal coordination geometry correlates with metal cofactor activity, whereby inhibitory Zn2 and Cu2 assume a tetrahedral configuration and contact only the GTP γ-phosphate, whereas Mn2, Co2, and Ni2 coordination complexes are pentahedral and contact the β- and γ-phosphates. The His404-Nε–Pα–O(α-β) angle is closer to apical in Mn (179°), Co (171°), and Ni (169°) structures than in Zn (160°) and Cu (155°) structures. The octahedral Mn1 geometry in our RtcB•GTP•Mn 2+ structure, in which Mn1 contacts α-, β-, and γ-phosphates, transitions to a tetrahedral configuration after formation of RtcB•(His404)–GMP•Mn 2+ and departure of pyrophosphate.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1981

Reduced hydrogen permeability at high temperatures

CO and CO2 reduce hydrogen loss through iron, nickel, and cobalt based alloy tubes. Method is based on concept that oxide film on metal surface reduces hydrogen permeability through metal; adding CO or CO2 forms oxide films continuously during operation, and hydrogen containment is improved. Innovation enhances prospects for Stirling engine system utilization.

Stephens, J. R.↗
DOE OSTI2021

Unraveling Site Selective Magnetic Properties of Cobalt Sites in Critical Elements Lean RE(TM)5 Magnet Materials

We report here our discovery of crystallographic and interstitial sites and onsite electron correlation propelled intrinsic and derived permanent magnetic properties of critical elements lean RE(TM) 5 (RE = La, Ce and TM = Fe, Co) magnet materials. A full potential linearized augmented plane wave (FP-LAPW) method within the local density approximation (LDA) is used to investigate and analyze the electronic structure and magnetism of these RE(TM) 5 type structures. To better correlate the experimental results, the effective Coulomb (U) and exchange (J) interactions (Hubbard parameters) are crucial at the transition metal sites. Results show that the main propeller of magnetic anisotropy in these compounds is the cobalt atoms at the 2c sites not the 3g sites. This site-specific property and site preference energetics are used to replace 3g sites with non-critical elements such as iron that exhibits a larger magnetic moment. Based on this strategic replacement, we predict two new compounds that have a larger hardness parameter with a relatively large energy product due to the atomic dilution caused by interstitial addition of nitrogen in the compounds: CeCo 2 Fe 3 N 2 and LaCo 2 Fe 3 N 2 .

Rare-earths↗
DOE OSTI2021

Separation of cobalt, nickel, and manganese in leach solutions of waste lithium-ion batteries using Dowex M4195 ion exchange resin

Current methods to separate and recover critical metals from waste lithium-ion battery (LIB) scrap require multiple unit operations that involve selective leaching and a combination of separation methods. These methods include impurity removal, solvent extraction, ion exchange, and precipitation, to achieve high purity Co and Ni products. In this paper an efficient extraction strategy was developed to individually separate Ni and Co from a LIB leachate that was generated from an electrochemical leaching process. By using Dowex M4195 resin, as the only method of separation, additional impurity removal operations were not needed. After loading and eluting, three different fractions were obtained: 99.0% Ni concentrate, 98.5% Co concentrate, and a Li/Mn rich concentrate allowing the separation of Ni, Co and Mn. Here, the developed process is then presented as an alternative for metal recovery from leachates from scrap LIBs with minimum chemical addition and pH adjustment.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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

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

25 ENERGY STORAGE↗
DOE OSTI2026

Enhanced cycling stability of Ni-rich Li-metal cells enabled by dual vinylene carbonate and tris(trimethylsilyl)borate electrolyte additives

NMC811 (LiNi 0.8 Co 0.1 Mn 0.1 O 2 ) and other high-Ni chemistries are promising cathode candidates for high-performance electric vehicles, owing to their high energy density and reduced cobalt content. However, their long-term cycling stability is hindered by surface degradation, particularly when paired with conventional electrolytes and a lithium metal anode. Electrolyte additives represent a practical approach to enhance interfacial stability and improve overall battery performance by promoting the formation of a robust electrolyte–electrode interphase (EEI). In this study, we revisit the effects of vinylene carbonate (VC) and tris(trimethylsilyl)borate (TMSB) additives on single-crystal SC-NMC811||Li cells. While TMSB only increases the open-circuit voltage and initial overpotential, it delivers superior capacity retention at C/3 compared to cells containing only VC or a dual additive system (VC and TMSB). Notably, under fast-charging conditions (1C, 2C, and 5C), the dual-additive system significantly outperforms other formulations, achieving markedly enhanced long-term capacity retention. Comprehensive electrochemical and spectroscopic analyses reveal that the VC/TMSB dual-additive system suppresses surface transition in NMC811, mitigates structural degradation by forming a thin, LiF-deficient cathode-electrolyte interface (CEI) layer. Moreover, they promote smooth and dense Li deposition and generate a LiF-deficient solid-electrolyte interphase (SEI). Consequently, the synergistic stabilization of both the CEI and SEI effectively limits the overall cell impedance growth during extended cycling. These findings provide key insights into co-additive strategies for engineering stable interfaces in high-energy Ni-rich Li-metal batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Superior Fischer-Tropsch Performance of Uniform Cobalt Nanoparticles Deposited into Mesoporous SiC

Electrochemically-derived well-crystalline mesoporous silicon carbide (pSiC) was used to host cobalt nanoparticles and to show superior catalytic performance during the CO hydrogenation according to Fischer-Tropsch. Colloidal metal particles (9 ± 0.4 nm) were prepared independently before depositing them into pSiC and, for comparison purposes, into commercially available silica (Davisil) and foam-like MCF-17 supports. The Co/pSiC catalyst demonstrated the highest catalytic activity of 117 ?molCO gCo-1 s-1 at 220 °C in the Fischer-Tropsch reaction, while the silica supported cobalt samples showed about one order of magnitude less activity. A significant increase in the C5+ hydrocarbons selectivity for Co/pSiC was observed. The stable performance of the catalyst is attributed to the high dispersion of the active phase and the use of silicon carbide acting as a thermally conductive and chemically inert porous support.

lablokou, V. S.↗
DOE OSTI2020

Single Cobalt Sites Dispersed in Hierarchically Porous Nanofiber Networks for Durable and High-Power PGM-Free Cathodes in Fuel Cells

Increasing catalytic activity and durability of atomically dispersed metal–nitrogen–carbon (M–N–C) catalysts for the oxygen reduction reaction (ORR) cathode in proton-exchange-membrane fuel cells remains a grand challenge. In this study, a high-power and durable Co–N–C nanofiber catalyst synthesized through electrospinning cobalt-doped zeolitic imidazolate frameworks into selected polyacrylonitrile and poly(vinylpyrrolidone) polymers is reported. The distinct porous fibrous morphology and hierarchical structures play a vital role in boosting electrode performance by exposing more accessible active sites, providing facile electron conductivity, and facilitating the mass transport of reactant. The enhanced intrinsic activity is attributed to the extra graphitic N dopants surrounding the CoN 4 moieties. The highly graphitized carbon matrix in the catalyst is beneficial for enhancing the carbon corrosion resistance, thereby promoting catalyst stability. The unique nanoscale X-ray computed tomography verifies the well-distributed ionomer coverage throughout the fibrous carbon network in the catalyst. The membrane electrode assembly achieves a power density of 0.40 W cm –2 in a practical H 2 /air cell (1.0 bar) and demonstrates significantly enhanced durability under accelerated stability tests. The combination of the intrinsic activity and stability of single Co sites, along with unique catalyst architecture, provide new insight into designing efficient PGM-free electrodes with improved performance and durability.

25 ENERGY STORAGE↗
DOE OSTI2023

Structural and biochemical characterisation of Co 2+ -binding sites on serum albumins and their interplay with fatty acids

Serum albumin–Co 2+ interactions are of clinical importance. They play a role in mediating the physiological effects associated with cobalt toxicity and are central to the albumin cobalt binding (ACB) assay for diagnosis of myocardial ischemia. To further understand these processes, a deeper understanding of albumin–Co 2+ interactions is required. Here, we present the first crystallographic structures of human serum albumin (HSA; three structures) and equine serum albumin (ESA; one structure) in complex with Co 2+ . Amongst a total of sixteen sites bearing a cobalt ion across the structures, two locations were prominent, and they relate to metal-binding sites A and B. Site-directed mutagenesis and isothermal titration calorimetry (ITC) were employed to characterise sites on HSA. The results indicate that His9 and His67 contribute to the primary (putatively corresponding to site B) and secondary Co 2+ -binding sites (site A), respectively. The presence of additional multiple weak-affinity Co 2+ binding sites on HSA was also supported by ITC studies. Furthermore, addition of 5 molar equivalents of the non-esterified fatty acid palmitate (C16:0) reduced the Co 2+ -binding affinity at both sites A and B. The presence of bound myristate (C14:0) in the HSA crystal structures provided insight into the fatty acid-mediated structural changes that diminish the affinity of the protein toward Co 2+ . Together, these data provide further support for the idea that ischemia-modified albumin corresponds to albumin with excessive fatty-acid loading. Collectively, our findings provide a comprehensive understanding of the molecular underpinnings governing Co 2+ binding to serum albumin.

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

A universal wet-chemistry synthesis of solid-state halide electrolytes for all-solid-state lithium-metal batteries

Solid-state halide electrolytes have gained revived research interests owing to their high ionic conductivity and high-voltage stability. However, synthesizing halide electrolytes from a liquid phase is extremely challenging because of the vulnerability of metal halides to hydrolysis. In this work, ammonium-assisted wet chemistry is reported to synthesize various solid-state halide electrolytes with an exceptional ionic conductivity (>1 microsiemens per centimeter). Microstrain-induced localized microstructure change is found to be beneficial to lithium ion transport in halide electrolytes. Furthermore, the interfacial incompatibility between halide electrolytes and lithium metal is alleviated by transforming the mixed electronic/ionic conductive interface into a lithium ion–conductive interface. Such all-solid-state lithium-metal batteries (ASSLMBs) demonstrate a high initial coulombic efficiency of 98.1% based on lithium cobalt oxide and a high discharge capacity of 166.9 microampere hours per gram based on single-crystal LiNi 0.6 Mn 0.2 Co 0.2 O 2 . This work provides universal approaches in both material synthesis and interface design for developing halide-based ASSLMBs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1970

Several new catalysts for reduction of oxygen in fuel cells

Test results prove nickel carbide or nitride, nickel-cobalt carbide, titanium carbide or nitride, and intermetallic compounds of the transition or noble metals to be efficient electrocatalysts for oxygen reduction in alkaline electrolytes in low temperature fuel cells.

Cattabriga, R. A.↗
NASA NTRS1973

Correlation of creep rate with microstructural changes during high temperature creep

The techniques of electron microscopy were used to examine the microstructural changes which occur during primary creep for two important types of engineering alloys: (1) alloys strengthened by solid-solution additions, and (2) dispersion-strengthened alloys. The metals chosen for study are unalloyed titanium, Ti-6Al-4V, and the cobalt-base alloy, Haynes 188. Results to date on NGR 47-004-108 show that development of prior dislocation substructure in Haynes 188 by 10% prestrain and annealing for one hour at 1800 F increases the time to reach 0.5% creep strain at 1600 F by more than an order of magnitude for creep stresses from 3 to 20 ksi. For creep at 1800 F, similar results were obtaind for stresses above 7 ksi, but the prior substructure decreases creep resistance below 7 ksi. This effect appears to be related to instability of grain structure at 1800 F in prestrained material.

Young, C. T.↗
DOE OSTI2025

Exploring the influence of transition metals on f-element bonding

The United States aims to triple its nuclear energy production by 2050, which will result in increased uranium usage and spent nuclear fuel generation. This highlights the need for a comprehensive understanding of actinide coordination chemistry, which is crucial for the extraction, processing, purification, and fabrication of uranium-based fuels. Moreover, it is vital for the reprocessing or safe disposal of nuclear waste and effective remediation efforts. Achieving this successfully requires an in-depth understanding of f-electron behavior, as “the role of 5f electrons in bond formation remains a fundamental topic in actinide chemistry”. Introducing a second metal into the system can increase structural dimensionality and diversify structural architecture. Heterometallic systems can also alter material properties, such as magnetic and spectroscopic characteristics, luminescence, and actinide mobility. Additionally, secondary transition metals, even when present only in the second coordination sphere and not directly coordinated, can influence the electron density at the actinyl metal center. In this study, uranium heterometallic single crystals were synthesized by incorporating transition metals such as iron(III), iron(II), nickel(II), manganese(II), copper(I), and cobalt(II). The crystals were formed using 2,6-pyridine dicarboxylic acid and other structurally similar ligands with varying functional groups. The synthesized crystals were analyzed using an extensive array of analytical and computational characterization techniques, including single crystal X-ray diffraction, Raman and infrared spectroscopy, and density functional theory calculations.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2021

Ferroic phase transitions and magnetoelectric coupling in cobalt doped BaTiO 3

Magnetoelectric (ME) materials exhibit interesting physics with cross coupling between ferroelectric and magnetic order parameters and thus strong potential to be utilized in memory, spintronics and other multifunctional electronic/magnetic devices. Doping of suitable transition metals in ferroelectrics can induce magnetism and ME coupling and modify the physical properties. Here, we report the structural, electronic, magnetic and ME coupling of 3.5, 5 and 7.5 mol% cobalt doped BaTiO 3 (BTO) ceramics. X-ray diffraction and Raman spectroscopy indicate that the samples are single phase having a tetragonal crystal structure with P4mm symmetry. The tetragonality ratio is found to decrease with increasing cobalt content. We observed a Fano-like asymmetric peak in the [A 1 (LO 1 )] Raman mode at ~173 cm -1 in all the cobalt doped BTO samples. The cobalt dopants are shown to be uniformly distributed throughout the surface of the samples. We observed a lowering of the ferroelectric transition temperature and increasing diffusivity parameter with increasing cobalt concentration. The electrical properties of all the samples have been investigated in detail by impedance spectroscopy and ac conductivity studies before and after the ferroelectric phase transitions. All the samples show hysteretic ferroelectric behavior with a clear saturation state that decreases with increasing cobalt content. The observed ferroelectricity in these samples is intrinsic in nature. The 3.5% cobalt doped BTO sample exhibits paramagnetic behavior whereas the 5 and 7.5% cobalt doped BTO samples show ferromagnetic ordering below 43 K. The 7.5% cobalt doped BTO samples show significant ME coupling.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Superionic conducting vacancy-rich β-Li 3 N electrolyte for stable cycling of all-solid-state lithium metal batteries

The advancement of all-solid-state lithium metal batteries requires breakthroughs in solid-state electrolytes (SSEs) for the suppression of lithium dendrite growth at high current densities and high capacities (>3 mAh cm -2 ) and innovation of SSEs in terms of crystal structure, ionic conductivity and rigidness. Here we report a superionic conducting, highly lithium-compatible and air-stable vacancy-rich β-Li 3 N SSE. This vacancy-rich β-Li 3 N SSE shows a high ionic conductivity of 2.14 × 10 -3 S cm -1 at 25 °C and surpasses almost all the reported nitride-based SSEs. A Li- and N-vacancy-mediated fast lithium-ion migration mechanism is unravelled regarding vacancy-triggered reduced activation energy and increased mobile lithium-ion population. All-solid-state lithium symmetric cells using vacancy-rich β-Li 3 N achieve breakthroughs in high critical current densities up to 45 mA cm -2 and high capacities up to 7.5 mAh cm -2 , and ultra-stable lithium stripping and plating processes over 2,000 cycles. The high lithium compatibility mechanism of vacancy-rich β-Li 3 N is unveiled as intrinsic stability to lithium metal. In addition, β-Li 3 N possesses excellent air stability through the formation of protection surfaces. All-solid-state lithium metal batteries using the vacancy-rich β-Li 3 N as SSE interlayers and lithium cobalt oxide (LCO) and Ni-rich LiNi 0.83 Co 0.11 Mn 0.06 O 2 (NCM83) cathodes exhibit excellent battery performance. Extremely stable cycling performance is demonstrated with high capacity retentions of 82.05% with 95.2 mAh g -1 over 5,000 cycles at 1.0 C for LCO and 92.5% with 153.6 mAh g -1 over 3,500 cycles at 1.0 C for NCM83. Utilizing the vacancy-rich β-Li 3 N SSE and NCM83 cathodes, the all-solid-state lithium metal batteries successfully accomplished mild rapid charge and discharge rates up to 5.0 C, retaining 60.47% of the capacity. Notably, these batteries exhibited a high areal capacity, registering approximately 5.0 mAh cm -2 for the compact pellet-type cells and around 2.2 mAh cm -2 for the all-solid-state lithium metal pouch cells.

25 ENERGY STORAGE↗