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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Tetragonal C 24 : a topological nodal-surface semimetal with potential as an anode material for sodium ion batteries

Na-ion batteries, as an alternative to Li-ion batteries, have gained increasing attention due to the abundance of sodium and its low cost. In the present work, we prepare a 3D porous carbon material by inserting hexagonal carbon rings into sp 3 C–C bonds in a previously established 3D-(4,4) lattice, termed tC 24 . Ab initio calculations uncover that not only is tC 24 thermally, dynamically and mechanically stable, but it also exhibits a unique electronic band structure with two topological nodal surfaces traversing through the whole Brillouin zone. More importantly, tC 24 is the first all carbon topological nodal-surface semimetal for Na-ion batteries, exhibiting a high theoretical capacity of 232.65 mA h g -1 , a low diffusion energy barrier for Na ions, an appropriate average voltage of 0.54 V and a negligible volume change (~0.94%) during charging/discharging operation. These properties provide tC 24 with a potentially long cycling life when used as an anode material for Na-ion batteries.

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

Operando study of mechanical integrity of high-volume expansion Li-ion battery anode materials coated by Al 2 O 3

Group IV elements and their oxides, such as Si, Ge, Sn and SiO have much higher theoretical capacity than commercial graphite anode. However, these materials undergo large volume change during cycling, resulting in severe structural degradation and capacity fading. Al 2 O 3 coating is considered an approach to improve the mechanical stability of high-capacity anode materials. To understand the effect of Al 2 O 3 coating directly, we monitored the morphology change of coated/uncoated Sn particles during cycling using operando focused ion beam–scanning electron microscopy. Here, the results indicate that the Al 2 O 3 coating provides local protection and reduces crack formation at the early stage of volume expansion. The 3 nm Al 2 O 3 coating layer provides better protection than the 10 and 30 nm coating layer. Nevertheless, the Al 2 O 3 coating is unable to prevent the pulverization at the later stage of cycling because of large volume expansion.

25 ENERGY STORAGE↗
DOE OSTI2018

The investigation of NaTi2(PO4)3@C/Ag as a high-performance anode material for aqueous rechargeable sodium-ion batteries

Highlights: • Facile preparation of NaTi{sub 2}(PO{sub 4}){sub 3}@C/Ag. • An extraordinary self-rejuvenation process was observed every other 20–30 cycles. • Retain a capacity of 71.7 mA h g{sup −1} even at 5 C after 200 cycles. - Abstract: Silver and carbon coated NaTi{sub 2}(PO{sub 4}){sub 3} is synthesized via a facile sol-gel method, with polyvinyl alcohol as carbon source and silver nitrate as Ag source. NaTi{sub 2}(PO{sub 4}){sub 3}@C/Ag is characterized by XRD, SEM, TEM, EDS and XPS. It can be found that C/Ag composite layer is uniformly coated on the surface of NaTi{sub 2}(PO{sub 4}){sub 3}. Compared with the pure NaTi{sub 2}(PO{sub 4}){sub 3}, NaTi{sub 2}(PO{sub 4}){sub 3}@C/Ag material demonstrates significantly higher rate capability and cycling stability. It can deliver an initial discharge capacity of 126.5 mA h g{sup −1} at a current rate of 2 C with the capacity retention of 94.5% after 100 cycles. It can still deliver an initial discharge capacity of 97.5 mA h g{sup −1} at a current rate of 5 C with a substantial capacity retention of 83.8% after 400 cycles. It is worth mentioning that NaTi{sub 2}(PO{sub 4}){sub 3}@C/Ag also exhibits pretty good rate capacity. When the current density ranges from 1 C, 2 C, 5 C, 10 C and finally back to 1 C, NaTi{sub 2}(PO{sub 4}){sub 3}@C/Ag electrode still retains a discharge capacity of 84.6 mAh g{sup −1} after 200 cycles at 5 C corresponding to a capacity retention ratio of 83.5%.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Three-dimensional electronic resistivity mapping of solid electrolyte interphase on Si anode materials

Silicon is a promising candidate for the lithium ion battery (LIB) anode because of the order-of-magnitude improvement in capacity over current state-of-the-art graphite anodes. In systems featuring both C and Si anodes, electronic resistivity of the solid-electrolyte interphase (SEI) layer is a critical factor for preventing continuous electrolyte-decomposition reactions at the electrode/electrolyte interface. However, the in-situ measurement of SEI electronic resistance has been complicated by ion transport and electronic contributions from other parts of the battery circuit. Ex-situ measurements of SEI resistivity at microscopic scales are also lacking. We report on a nanometer-resolution three-dimensional technique that enables ex-situ mapping of electronic resistivity of SEI formed on a model single-crystalline wafer Si anode. Our novel experimental approach uses scanning spreading-resistance microscopy resistance imaging and mechanical depth profiling. In addition to resistance mapping, this method also provides an alternative technique for locating buried interfaces, where mechanical or electronic properties differ sufficiently between layers. Further validation of this method was obtained by resistance mapping of a reference sample with a designed a-Si:H layer stack of different doping concentrations. The results show relatively uniform lateral resistivity distribution of the SEIs but steep decreases in resistivity in the vertical direction. Resistivity vs. depth profiles are highly dependent on cycling conditions, but they generally show a resistivity decrease from the most superficial levels of SEI and a thickness increase with continued cycling prior to SEI stabilization. The most prominent resistivity increase was observed on SEI formed in Gen2 electrolyte (EC:EMC [3:7 by wt.] + 1.2 M LiPF6) with 10 wt% fluoroethylene carbonate additive; this result may partially explain the significant improvements of sustained electrochemical cycling and coulombic efficiency observed with this electrolyte additive. Our approach provides a novel and unparalleled three-dimensional approach in characterizing electronic resistivity, which contributes significantly to understanding SEI formation and the intrinsic properties critical to battery performance.

25 ENERGY STORAGE↗
DOE OSTI2024

Phosphorus-carbon composites as battery anode materials

An electrochemical device includes an anode containing a phosphorus-carbon composite including a conductive carbon matrix and nano-sized phosphorus particles, wherein the nano-sized phosphorus particles are uniformly dispersed on the surface and/or pores of the carbon matrix.

Xu, Guiliang↗
DOE OSTI2017

Ex Situ Investigation of Anisotropic Interconnection in Silicon-Titanium-Nickel Alloy Anode Material

Herein we investigate the nanostructural evolution of Silicon-Titanium-Nickel (Si-Ti-Ni) ternary alloy material synthesized by melt spinning process for advanced lithium-ion battery anode. The synthesized material was found to have nano-Silicon particles dispersed in the Ti 4 Ni 4 Si 7 (STN) alloy buffering matrix and was characterized by X-ray diffraction (XRD), High resolution- transmission electron microscope (HR-TEM), Scanning transmission electron microscopes - energy dispersive X-ray spectrometer (STEM-EDS), and electrochemical performance test. The role of STN matrix is to accommodate the volume expansion stresses of the dispersed Si nanoparticles. However, an interesting behavior was observed during cycling. The Si nanoparticles were observed to form interconnection channels growing through the weak STN matrix cracks and evolving to a network isolating the STN matrix into small puddles. In conclusion, this unique nanostructural evolution of Si particles and isolation of the STN matrix failing to offer significant buffering effect to the grown Si network eventually accelerates more volume expansions during cycling due to less mechanical confinement and leads to performance degradation and poor cycle stability.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Disordered 3 D Multi‐layer Graphene Anode Material from CO 2 for Sodium‐Ion Batteries

Abstract We report the application of disordered 3 D multi‐layer graphene, synthesized directly from CO 2 gas through a reaction with Li at 550 °C, as an anode for Na‐ion batteries (SIBs) toward a sustainable and greener future. The material exhibited a reversible capacity of ∼190 mA h g −1 with a Coulombic efficiency of 98.5 % at a current density of 15 mA g −1 . The discharge capacity at higher potentials (>0.2 V vs. Na/Na + ) is ascribed to Na‐ion adsorption at defect sites, whereas the capacity at low potentials (<0.2 V) is ascribed to intercalation between graphene sheets through electrochemical characterization, Raman spectroscopy, and small‐angle X‐ray scattering experiments. The disordered multi‐layer graphene electrode demonstrated a great rate capability and cyclability. This novel approach to synthesize disordered 3 D multi‐layer graphene from CO 2 gas makes it attractive not only as an anode material for SIBs but also to mitigate CO 2 emission.

Smith, Kassiopeia↗
DOE OSTI2019

Lithium Metal Anode Materials Design: Interphase and Host

Abstract Li metal is the ultimate anode choice due to its highest theoretical capacity and lowest electrode potential, but it is far from practical applications with its poor cycle lifetime. Recent research progresses show that materials designs of interphase and host structures for Li metal are two effective ways addressing the key issues of Li metal anodes. Despite the exciting improvement on Li metal cycling capability, problems still exist with these methodologies, such as the deficient long-time cycling stability of interphase materials and the accelerated Li corrosion for high surface area three-dimensional composite Li anodes. As a result, Coulombic efficiency of Li metal is still not sufficient for full-cell cycling. In the near future, an interphase protected three-dimensional composite Li metal anode, combined with high performance novel electrolytes might be the ultimate solution. Besides, nanoscale characterization technologies are also vital for guiding future Li metal anode designs. Graphic Abstract

Wang, Hansen↗
DOE OSTI2018

High capacity prelithiation reagents and lithium-rich anode materials

Described here is a method for making an anode of a rechargeable battery, comprising incorporating a composition comprising Li x M into the anode, wherein M is a Group 14 element. Also described here is an anode comprising a composition comprising Li x M, wherein M is a Group 14 element, and a rechargeable battery comprising the anode.

25 ENERGY STORAGE↗
DOE OSTI2021

Large Scale Synthesis of Manganese Oxide/Reduced Graphene Oxide Composites as Anode Materials for Long Cycle Lithium Ion Batteries

Manganese oxides have been frequently used as cathodes in primary batteries. Applications of manganese oxides in secondary batteries are limited by low electrical conductivity and rapid capacity fading because of electrode pulverization and aggregation. In this study, a solid-state synthetic strategy is presented that successfully combines nanosize (~ 50 nm) nickel doped α-MnO 2 with reduced graphene oxides as highly stable composite anodes in lithium ion batteries. The synthesis approach is easy to scale up and suitable for industrial applications. Here, the rationally designed Ni-α-MnO 2 /RGO was tested in galvanostatic half coin cells for Li + charge-discharge studies. The results show that this composite maintains a high capacity of 615 mAh g -1 even after 200 cycles at a high current rate of 1 C (830 mA g -1 ), and with a high Coulombic efficiency near 99%. The anodes exhibit excellent rate capability in a wide range of rate testing from 0.2 to 10 C, without showing capacity decay. This superior anode performance is ascribed to the reduced size of α-MnO 2 domains that are well dispersed in an RGO matrix, which affords good ionic/elec. cond., low charge transfer resistance and mitigates issues of vol. expansion of the anodic active materials. This study opens up an avenue for developing the manufacturing of high-performance electrodes for real applications, such as batteries in electrical vehicles.

25 ENERGY STORAGE↗
DOE OSTI2022

Mechanics-Driven Anode Material Failure in Battery Safety and Capacity Deterioration Issues: A Review

Abstract High-capacity anodes, such as Si, have attracted tremendous research interest over the last two decades because of the requirement for the high energy density of next-generation lithium-ion batteries (LIBs). The mechanical integrity and stability of such materials during cycling are critical because their volume considerably changes. The volume changes/deformation result in mechanical stresses, which lead to mechanical failures, including cracks, fragmentation, and debonding. These phenomena accelerate capacity fading during electrochemical cycling and thus limit the application of high-capacity anodes. Experimental studies have been performed to characterize the deformation and failure behavior of these high-capacity materials directly, providing fundamental insights into the degradation processes. Modeling works have focused on elucidating the underlying mechanisms and providing design tools for next-generation battery design. This review presents an overview of the fundamental understanding and theoretical analysis of the electrochemical degradation and safety issues of LIBs where mechanics dominates. We first introduce the stress generation and failure behavior of high-capacity anodes from the experimental and computational aspects, respectively. Then, we summarize and discuss the strategies of stress mitigation and failure suppression. Finally, we conclude the significant points and outlook critical bottlenecks in further developing and spreading high-capacity materials of LIBs.

Mechanics↗
DOE OSTI2016

Lignin-based active anode materials synthesized from low-cost renewable resources

A method of making an anode includes the steps of providing fibers from a carbonaceous precursor, the carbon fibers having a glass transition temperature T.sub.g. In one aspect the carbonaceous precursor is lignin. The carbonaceous fibers are placed into a layered fiber mat. The fiber mat is fused by heating the fiber mat in the presence of oxygen to above the T.sub.g but no more than 20% above the T.sub.g to fuse fibers together at fiber to fiber contact points and without melting the bulk fiber mat to create a fused fiber mat through oxidative stabilization. The fused fiber mat is carbonized by heating the fused fiber mat to at least 650.degree. C. under an inert atmosphere to create a carbonized fused fiber mat. A battery anode formed from carbonaceous precursor fibers is also disclosed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Spinel high-entropy oxides (FeNiCrMnZnX) 3 O 4 (X = Al, mg) as anode materials for high-performance lithium-ion batteries

To address the high cost, cobalt dependency, and resource constraints typical of conventional high-entropy oxide (HEO) anodes, this study reports the successful synthesis of two Co-free, six-component spinel-type HEOs(FeNiCrMnZnAl) 3 O 4 (HEO-Al) and (FeNiCrMnZnMg) 3 O 4 (HEO-Mg), via a sol-gel method. The distinct effects of Al 3+ and Mg 2+ incorporation on the electrochemical performance and lithium storage kinetics were systematically investigated. XRD, Raman, and TEM characterizations confirm that both materials possess a pure spinel phase, uniform particle size, and homogeneous elemental distribution. Notably, electrochemical evaluations reveal that HEO-Al delivers a superior reversible capacity of 480.7 mAh g −1 after 100 cycles at 0.1 A g −1 , and maintains 354.5 mAh g −1 after 1000 long-term cycles at 1 A g −1 , significantly outperforming HEO-Mg. Kinetic analysis indicates that HEO-Al exhibits lower charge transfer resistance, a higher Li + diffusion coefficient, and a pseudocapacitive contribution of up to 82%. Furthermore, these findings demonstrate that Al substitution effectively optimizes the structural stability and lithium storage kinetics of Co-free HEOs, providing a viable strategy for designing low-cost, highly stable HEO anode systems.

Anode materials↗
DOE OSTI2017

Silicon oxide based high capacity anode materials for lithium ion batteries

Silicon oxide based materials, including composites with various electrical conductive compositions, are formulated into desirable anodes. The anodes can be effectively combined into lithium ion batteries with high capacity cathode materials. In some formulations, supplemental lithium can be used to stabilize cycling as well as to reduce effects of first cycle irreversible capacity loss. Batteries are described with surprisingly good cycling properties with good specific capacities with respect to both cathode active weights and anode active weights.

25 ENERGY STORAGE↗
DOE OSTI2019

Electrochemical Investigations on AZ Series Magnesium Alloys as Anode Materials in a Sodium Chloride Solution

Electrochemical and discharge properties of Mg-air battery based on 3N5 Mg, AZ31, AZ61, AZ91 alloys were studied in a 0.6 M NaCl electrolyte, with the aim of selecting a common commercial Mg alloy to decrease passivation and self-corrosion of Mg anode for Mg-air battery. Results obtained indicate that self-corrosion and passivation decrease, and anodic utilization increases gradually with increasing Al content. This is associated with the double effect of Al on discharge performance of Mg anode. Al with high hydrogen overvoltage decreases self-corrosion of Mg anode and passivation of Mg anode by peeling off Mg(OH){sub 2} discharge products. Results of electrochemical impedance spectroscopy and discharge morphology relate well with the results of electrochemical and discharge performances. It is concluded that solution-treated AZ91 alloy has a better discharge performance as anode of Mg-air battery in 0.6 M NaCl electrolyte.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Perspective—Enhancing Active Anode Material Performance for Lithium-Ion Batteries via Manipulation of Interfacial Chemistry

Over the past decade, conversion-type anodes have been viewed as an attractive frontrunner for use in the next-generation of high-capacity battery materials. However, many technological limitations exist in the stability and long-term reliability of these anodes for the commercialization of these electrodes. This perspective studies how interfacial interactions between different components of the electrode can help elucidate the key physical and chemical properties needed for the development of high-capacity materials for battery applications.

25 ENERGY STORAGE↗
DOE OSTI2016

Synthesis of TiO{sub 2} by electrochemical method from TiCl{sub 4} solution as anode material for lithium-ion batteries

Metal oxide combined with graphite becomes interesting composition. TiO{sub 2} is a good candidate for Li ion battery anode because of cost, availability of sufficient materials, and environmentally friendly. TiO{sub 2} gravimetric capacity varied within a fairly wide range. TiO{sub 2} crystals form highly depends on the synthesis method used. The electrochemical method is beginning to emerge as a valuable option for preparing TiO{sub 2} powders. Using the electrochemical method, the particle can easily be controlled by simply adjusting the imposed current or potential to the system. In this work, the effects of some key parameters of the electrosynthesis on the formation of TiO{sub 2} have been investigated. The combination of graphite and TiO{sub 2} particle has also been studied for lithium-ion batteries. The homogeneous solution for the electrosynthesis of TiO{sub 2} powders was TiCl{sub 4} in ethanol solution. The electrolysis was carried out in an electrochemical cell consisting of two carbon electrodes with dimensions of (5 × 2) cm. The electrodes were set parallel with a distance of 2.6 cm between the electrodes and immersed in the electrolytic solution at a depth of 2 cm. The electrodes were connected to the positive and negative terminals of a DC power supply. The electrosynthesis was performed galvanostatically at 0.5 to 2.5 hours and voltages were varied from 8 to 12 V under constant stirring at room temperature. The resulted suspension was aged at 48 hrs, filtered, dried directly in an oven at 150°C for 2 hrs, washed 2 times, and dried again 60 °C for 6 hrs. The particle product has been used to lithium-ion battery as anode. Synthesis of TiO{sub 2} particle by electrochemical method at 10 V for 1 to 2.5 hrs resulted anatase and rutile phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Topological Dirac Semimetal Phase in Bismuth Based Anode Materials for Sodium-Ion Batteries

Bismuth has recently attracted interest in connection with Na-ion battery anodes due to its high volumetric capacity. It reacts with Na to form Na 3 Bi which is a prototypical Dirac semimetal with a nontrivial electronic structure. Density-functional-theory based first-principles calculations are playing a key role in understanding the fascinating electronic structure of Na 3 Bi and other topological materials. In particular, the strongly-constrained-and-appropriately-normed (SCAN) meta-generalized-gradient-approximation (meta-GGA) has shown significant improvement over the widely used generalized-gradient-approximation (GGA) scheme in capturing energetic, structural, and electronic properties of many classes of materials. Here, we discuss the electronic structure of Na 3 Bi within the SCAN framework and show that the resulting Fermi velocities and s-band shift around the Γ point are in better agreement with experiments than the corresponding GGA predictions. SCAN yields a purely spin-orbit-coupling (SOC) driven Dirac semimetal state in Na 3 Bi in contrast with the earlier GGA results. Our analysis reveals the presence of a topological phase transition from the Dirac semimetal to a trivial band insulator phase in Na 3 Bi x Sb 1-x alloys as the strength of the SOC varies with Sb content, and gives insight into the role of the SOC in modulating conduction properties of Na 3 Bi.

36 MATERIALS SCIENCE↗