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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Amorphous ZrCl 4 -Based Superionic Conductor as a Cost-Effective Solid Electrolyte for Batteries

Developing highly conductive and cost-effective solid electrolytes is essential for the commercialization of all-solid-state batteries (ASSBs). Zr-based halide electrolytes hold great promise due to their low estimated cost and high oxidation stability. However, the ionic conductivities of most of them are not high enough to enable moderate- and high-rate cycling of ASSBs. Here, fast ion transport is achieved in a group of cost-effective ZrCl 4 -based electrolytes via a design strategy to create highly disordered amorphous structures. Amorphous Li 0.8 ZrCl 4 (SO 4 ) 0.4 , with a low estimated cost of $21 kg –1 , achieves an ionic conductivity of 1.86 mS cm –1 at 25 °C. It also shows a high oxidation limit of 4.5 V vs Li/Li + and good compatibility with high-voltage cathodes, as demonstrated by the stable cycling of ASSBs (73.7% capacity retention after 1000 cycles at 1 C). Synchrotron X-ray diffraction, pair distribution function analysis, and electrochemical impedance spectroscopy reveal that the outstanding conductivity of these amorphous electrolytes is closely related to their short-range and medium-range ordering, revealing new insights for designing high-performance, cost-effective solid electrolytes.

Zhang, Guangxing [Georgia Institute of Technology,↗
DOE OSTI2025

Correction to “Stacking Faults Assist Lithium-Ion Conduction in a Halide-Based Superionic Conductor”

A typographical error needs to be corrected in the Results section, subsection “2.5. Evaluation of Li + Ion Conduction Properties”, fourth paragraph, where the activation energy barriers derived from PFG-NMR were swapped for components 1 and 2, for both BM-LYC and SS-LYC. The same error should also corrected in the second paragraph of the Discussion section.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

The Dynamical Role of Optical Phonons and Sublattice Screening in a Solid-State Ion Conductor

Solid-state electrolytes (SSEs) require ionic conductivities that are competitive with liquid electrolytes to realize applications in all-solid-state batteries. Although candidate SSEs have been discovered, the underlying mechanisms enabling superionic conduction (>1 mS cm –1 ) remain elusive. In particular, the role of ultrafast lattice dynamics in mediating ion migration, which involves couplings between ions, phonons, and electrons, is rarely explored experimentally at their corresponding time scales. To investigate the complex contributions of coupled lattice dynamics on ion migration, we modulate the charge density occupations within the crystal framework and then measure the time-resolved change in impedance on picosecond time scales for a candidate SSE, Li 0.5 La 0.5 TiO 3 (LLTO). Upon perturbation, we observe enhanced ion migration at ultrafast time scales. The respective transients match the time scales of optical and acoustic phonon vibrations, suggesting their involvement in ion migration. We further computationally evaluate the effect of a charge transfer from the O 2p to the Ti 3d band on the electronic and physical structure of LLTO. We hypothesize that the charge-transfer excitation distorts the TiO 6 polyhedra by altering the local charge density occupancy of the hopping site at the migration pathway saddle point, thereby causing a reduction in the migration barrier for the Li + hop. We rule out the contribution of photogenerated electron carriers and laser heating. Overall, our investigation introduces a new spectroscopic tool to probe fundamental ion hopping mechanisms transiently at ultrafast time scales, which has previously only been achieved in a time-averaged manner or solely via computational methods.

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

Operando neutron imaging-guided gradient design of Li-ion solid conductor for high-mass-loading cathodes

High-mass-loading cathodes are crucial for achieving high energy density in all-solid-state batteries from the lab scale to industry. However, as mass-loading increases, electrochemical performance is significantly compromised due to sluggish kinetics. In this work, operando neutron imaging is deployed on a high-mass-loading NMC 811 cathode of 33 mg/cm 2 (5.0 mAh/cm 2 ) and directly visualizes the lithiation prioritization of the cathode active material (CAM) from the solid electrolyte membrane side to the current collector side. In addition to the tortuosity, another key limitation on ion transfer in the cathode arises from the mismatch between the uniform distribution of the solid electrolyte (catholyte) in the conventional composite cathode and the non-uniform Li + flux generated by the faradaic reaction of CAMs. Therefore, we engineer a gradient in the catholyte concentration to match the Li + flux distribution as a means of eliminating the ion transfer obstacle. This approach demonstrates enhanced rate performance, even with high-mass-loading cathodes. A LiCoO 2 composite cathode with 100 mg/cm 2 high-mass-loading exhibits an areal capacity of 10.4 mAh/cm 2 at a current density of 2.25 mA/cm 2 . This work provides insight into the ion-transport limitation in thick cathodes and demonstrates an effective gradient design to overcome the kinetic barrier and achieve high battery performance.

Batteries↗
DOE OSTI2025

Li 3.6 In 7 S 11.8 Cl: an air- and moisture-stable superionic conductor

Li 3.6 In 7 S 11.8 Cl has a face-centered cubic arrangement of S 2− /Cl − stabilized by Li + /In 3+ that form 3D ion conduction paths. The moisture stability and fast ion conduction make Li 3.6 In 7 S 11.8 Cl a promising electrolyte for solid-state batteries.

Oyekunle, Ifeoluwa P. [Department of Chemistry and↗
DOE OSTI2026

Interface-induced fast Li+ transport in mixed ionic–electronic conductors

Interfacial instability between lithium metal and solid-state electrolytes limits the performance of all-solid-state lithium metal batteries (ASSLBs), leading to parasitic reactions, non-uniform Li+ flux, and dendrite growth. Here, we develop a composite interlayer composed of the anti-perovskite Li2OHCl0.75Br0.25 (AP) and carbon nanotubes (CNTs) to enhance both interfacial stability and ionic transport. The AP–CNT interlayer exhibits enhanced Li+ conductivity arising from interfacial electron transfer from AP to CNTs, which generates a built-in electric field that facilitates Li+ migration. Lithium symmetric cells incorporating this interlayer achieve a high critical current density of 2.4 mA cm−2 at 55 °C. This design integrates chemical robustness with coupled ion–electron transport, offering a generalizable strategy for safe, dendrite-free, and high-performance ASSLBs.

He, Chenche↗
DOE OSTI2025

Reply to Smith and Siegel: Most lithium hops in paddlewheel-claimed conductors occur without spatially and temporally correlated anion-group rotations

We appreciate the engagement from Smith and Siegel on the topic of the “paddlewheel effect” and are pleased to see alignment regarding the absence of a paddlewheel effect, in which large-angle anion-group rotations directly propel lithium hops. In our paper, we clearly state the ambiguity surrounding the term “paddlewheel” to describe lithium transport. We believe that science is not well served by this vague term or its regular redefinition which is why we distinguish three types of anion-group rotation events: large-angle rotations (n-fold rotation returning to a rotationally invariant configuration), librations (e.g., rotational vibrations), and static changes of orientation in response to the change of Li occupancy. Here, we directly evaluate the spatial and temporal correlation between such polyanion rotations and Li hops.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Effects of stabilizer strength on the delamination strength of ReBCO coated conductors

Delamination strengths (DSs) of ReBCO tapes were evaluated using a transverse tensile anvil test. This study first demonstrated that the electromechanical DS is nearly equivalent to the purely mechanical DS for ReBCO tapes exhibiting abrupt delamination behavior. Mechanical DS was then examined for tapes with and without stabilizer edges to assess the influence of stabilizer strength. Scanning electron microscopy/energy-dispersive x-ray spectroscopy analysis revealed the delamination sites and crack propagation in ReBCO tapes. Further investigation revealed that the DS of ReBCO tapes is primarily determined by two factors: (1) interfacial bonding strength between the layers and (2) mechanical strength of the stabilizer edges. These findings point to a potential approach to enhancing DS by increasing the strength of the stabilizer (e.g. by optimizing the Cu electroplating process).

Cu stabilizer↗
DOE OSTI2025

Leveraging High-throughput Computation and Machine Learning to Discover and Understand Low-Temperature Fast Oxygen Conductors (Final Technical Report)

The major goals of this work are twofold: (1) to enable transformative basic understanding of structure-property-performance relationships governing oxygen transport in oxygen-active materials and (2) facilitate the discovery and rational design of new oxygen-active materials which transport oxygen efficiently at low temperature. Transformative understanding and materials design will be accomplished by synergistically combining materials data mining, machine learning, high-throughput computation and targeted experiments.

36 MATERIALS SCIENCE↗