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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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Correlating ligand-to-metal charge transfer with voltage hysteresis in a Li-rich rock-salt compound
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Exploring the bottlenecks of anionic redox in Li-rich layered sulfides
Abstract not provided
Publisher Correction: Unlocking Li superionic conductivity in face-centred cubic oxides via face-sharing configurations
In the version of the article initially published, the x axes in Figs. 2b,d and 5a,b originally read “T -1 (K -1 )” and have now been amended to “1000 T -1 (K -1 )” in the HTML and PDF versions of the article.
Revealing the correlation between structural evolution and Li[superscript +] diffusion kinetics of n
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Cation-disorder zinc blende Zn 0.5 Ge 0.5 P compound and Zn 0.5 Ge 0.5 P–TiC–C composite as high-performance anodes for Li-ion batteries
Zn 0.5 Ge 0.5 P shows superior crystal and band structure as anode material for lithium-ion batteries, and Zn 0.5 Ge 0.5 P–TiC–C exhibits excellent electrochemical performance.
Advanced nano-bifunctional electrocatalysts in Li–air batteries for high coulombic efficiency
This article focuses on the major obstacle of sluggish ORR and OER kinetics of the cathode in LABs and reviews the main advances of the major designing principles of various nanoscale bifunctional electrocatalysts, and the relation to the enhancing OER/ORR catalytic activity.
Strategies to alleviate distortive phase transformations in Li-ion intercalation reactions: an example with vanadium pentoxide
This mini-review highlights recent materials design strategies to alleviate distortive phase transformations in vanadium pentoxide materials for energy storage applications and characterization methods.
3D printing of architected sulfur cathodes with dual-site atomic catalysts for accelerated polysulfide kinetics and Li-ion transport in high areal-loading lithium–sulfur batteries
The practical deployment of lithium–sulfur batteries (LSBs) is hindered by fundamental limitations in conventional slurry-cast cathodes, including poor sulfur utilization, sluggish ion transport, and low areal capacity, particularly in thick electrodes required for high energy density. To address these challenges, we present direct ink writing (DIW) as an additive manufacturing strategy to fabricate advanced current-collector-free, 3D-printed sulfur cathodes (3DP S@CoNi-DSACs/NC) with hierarchically porous architectures that enhance lithium-ion diffusion, promote electrolyte penetration, and reduce interfacial resistance. The synergistic effects of Co/Ni dual-atom sites accelerate redox kinetics and mitigate polysulfide shuttling. As a result, the optimized 3DP cathode with a sulfur loading of 5.4 mg cm −2 demonstrated excellent rate capability, delivering a high reversible capacity of 1041.4 mAh g −1 at 1C with 85.5% capacity retention after 1000 cycles, significantly outperforming its cast counterpart. Remarkably, even at a higher sulfur loading of 8.1 mg cm −2 , the 3DP cathode maintains outstanding performance, achieving a discharge capacity of 1538.4 mAh g −1 and an areal capacity of 12.5 mAh cm −2 at 0.1C. This study not only demonstrates the functional integration of catalytically active materials into 3D printable sulfur cathode architectures but also offers a scalable and transformative platform for building high-performance LSBs beyond conventional electrode manufacturing methods.
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.
Unconventional magnetic field response of the hyperhoneycomb Kitaev magnet β − Li 2 IrO 3
Not Available
Reentrant incommensurate order and anomalous magnetic torque in the Kitaev magnet β − Li 2 Ir O 3
Not Available
Role of Electronic Passivation in Stabilizing the Lithium- Li x PO y N z Solid-Electrolyte Interphase
Not Available
The Role of Interfacial Thermal Resistance in Li-Ion Battery Thermal Management: Preprint
Temperature critically affects the performance, life and safety of lithium-ion batteries. Therefore, it is essential to understand heat generation and dissipation within individual battery cells and battery packs to plan a proper thermal management strategy. One of the key challenges is that interfacial heat transfer of a battery unit is difficult to quantify. The steady-state absolute method and the transient laser-flash-diffusivity method were employed to measure heat conductivities of battery layer stacks and individual battery layer separately. Results show flash diffusivity method gives higher thermal conductivity at both cross-plane and in-plane directions. The difference is primarily caused by interfacial thermal resistance so that it can be estimated by steady-state and transient measurements. To investigate the effects of interfacial thermal transport beyond individual cell level, a multiphysics battery model is used. The model is built upon a multi-scale multi-domain modeling framework for battery packs that accounts for the interplay across multiple physical phenomena. Benefits of a battery module using thermal management materials are quantified through numerical experiments. During a thermal runaway event, it is found interfacial thermal resistance can mitigate thermal runaway in a battery module by significantly reducing heat transfer between cells.
Fundamental mechanistic insights into the catalytic reactions of Li-S redox by Co single-atom electrocatalysts via operando methods
Lithium-sulfur batteries represent an attractive option for energy storage applications. A deeper understanding of the multistep lithium-sulfur reactions and the electrocatalytic mechanisms are required to develop advanced, high-performance batteries. We have systematically investigated the lithium-sulfur redox processes catalyzed by a cobalt single-atom electrocatalyst (Co-SAs/NC) via operando confocal Raman microscopy and x-ray absorption spectroscopy (XAS). The real-time observations, based on potentiostatic measurements, indicate that Co-SAs/NC efficiently accelerates the lithium-sulfur reduction/oxidation reactions, which display zero-order kinetics. Under galvanostatic discharge conditions, the typical stepwise mechanism of long-chain and intermediate-chain polysulfides is transformed to a concurrent pathway under electrocatalysis. In addition, operando cobalt K-edge XAS studies elucidate the potential-dependent evolution of cobalt’s oxidation state and the formation of cobalt-sulfur bonds. Our work provides fundamental insights into the mechanisms of catalyzed lithium-sulfur reactions via operando methods, enabling a deeper understanding of electrocatalysis and interfacial dynamics in electrical energy storage systems.
Perspective—Potential Benefit of Li-Rich Cathode Materials: Reduction of Co and Ni Content Rather than Achievement of Ultra-High Capacities
In the conventional cycling protocol for lithium and manganese rich NMC layered oxides (LMRNMC), the upper cutoff voltage V cut is extended to ~ 4.8, to achieve capacities of similar to 250 mAh g -1 . With this mode of operation, structural rearrangements result in voltage fade upon cycling. Herein, a strategy is proposed to avoid these structural rearrangements based on (a) restricting V cut to values < ~ 4.6 to shut down the bulk instabilities, and (b) application of a (preferably) semi-coherent coating that protects the surface oxygen. The potential benefit of this strategy would be to minimize Co and Ni content, compared to Ni-rich NMC.
Effects of Trigger Method on Fire Propagation during the Thermal Runaway Process in Li-ion Batteries
Lithium-ion batteries are prone to fire hazards due to the possibility of thermal runaway propagation. During battery product development and subsequent safety tests for design validation and safety certification, the thermal runaway onset is triggered by various test methods such as nail penetration, thermal ramp, or external short circuit. This failure initiation method affects the amount of heat contributions and the composition of gas generations. This study compares two such trigger methods, external heating and using a thermally-activated internal short circuit device (ISCD). The effects of the trigger method on total heat generation are experimentally investigated within 18650 cylindrical cells at single cell level as well as at multiple cell configuration level. The severity of failure was observed to be worse for cells with ISCDs at single cell level, whereas quite the opposite results were observed at multiple cell configuration level. A preliminary numerical analysis was performed to better understand the battery safety performance with respect to thermal runaway trigger methods and heat transfer conditions.
Avoiding dendrite formation by confining lithium deposition underneath Li–Sn coatings
Not provided.