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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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475 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Iron surface corrosion in supercritical CO2 at atomic scale investigated by molecular dynamics simulations

Understanding the corrosion behavior of steels in supercritical carbon dioxide (S-CO2) is essential for ensuring the safe application of S-CO2 as a heat-transfer fluid in high-temperature energy systems, including advanced nuclear reactors. In this work, molecular dynamics (MD) simulations using ReaxFF potential are performed to explore the atomic-scale corrosion mechanisms of body-centered cubic iron (BCC-Fe) in S-CO2. The results show that CO2 molecules in S-CO2 decompose at the Fe surface, generating free C and O atoms that form Fe-C and Fe-O bonds and subsequently produce oxides and carbides. Concurrently, Fe atoms dissolve from the surface and diffuse into the S-CO2 region, resulting in interdiffusion of Fe, C and O atoms at the interface. The corrosion-layer thickness calculations show that high pressure and temperature induced by S-CO2 have stronger effects than surface orientation on the corrosion process. In addition, surface Fe atoms undergo substantial displacement under S-CO2 exposure, further accelerating corrosion. When a radiation-induced void is introduced near the Fe surface, the corrosion is enhanced. The void-matrix interface expands the reaction surface area and simultaneously induces corrosion reactions inside the bulk, resulting in a deeper penetration of C and O and thicker corrosion layers. All these results indicate that high-temperature, high-pressure and radiation-induced voids can seriously affect the corrosion of Fe in S-CO2, and must be considered to better use S-CO2 in nuclear facilities.

Li, Wenhua↗
DOE OSTI2025

Evidence for large baryonic feedback at low and intermediate redshifts from kinematic Sunyaev-Zel’dovich observations with ACT and DESI photometric galaxies

Recent advances in cosmological observations have provided an unprecedented opportunity to investigate the distribution of baryons relative to the underlying matter. In this work, we show that the gas is more extended than the dark matter, and the amount of baryonic feedback at $z \lesssim 1$ disfavors low-feedback models such as that of state-of-the-art hydrodynamical simulation IllustrisTNG compared with high-feedback models such as that of the original Illustris simulation. This has important implications for bridging the gap between theory and observations and understanding galaxy formation and evolution. Furthermore, a better grasp of the baryon-dark matter link is critical to future cosmological analyses, which are currently impeded by our limited knowledge of baryonic feedback. Here, we measure the kinematic Sunyaev-Zel'dovich (kSZ) effect from the Atacama Cosmology Telescope (ACT), stacked on the luminous red galaxy (LRG) sample of the Dark Energy Spectroscopic Instrument (DESI) imaging survey. This is the first analysis to use photometric redshifts for reconstructing galaxy velocities. Due to the large number of galaxies comprising the DESI imaging survey, this is the highest signal-to-noise stacked kSZ measurement to date: we detect the signal at 13$σ$, finding strong evidence that the gas is more spread out than the dark matter, as well as a preference for larger feedback compared to some commonly used state-of-the-art hydrodynamical simulations. Here, our work opens up the possibility of recalibrating large hydrodynamical simulations using the kSZ effect. In addition, our findings highlight the importance of properly accounting for baryonic feedback with future surveys such as LSST through direct probes such as the kSZ, and shed light on long-standing enigmas in astrophysics, such as the “missing baryon” problem.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Insights into elevated temperature tensile deformation mechanisms and kink banding in additively manufactured tungsten

Additive manufacturing (AM) potentially enables fabrication and repair of plasma facing components (PFCs) of tungsten. However, deformation mechanisms in AM-fabricated tungsten under service-relevant thermomechanical conditions remain unknown majorly due to challenges in achieving crack-free W. This study reveals the deformation mechanisms operative under tension at 800 °C and 1200 °C in the electron beam melting powder bed fusion (EBM-PBF) fabricated W. Textured columnar grains with mixed <001 >/<111 >|| build-direction were observed. Strong anisotropy in tensile properties persisted across test temperatures, and all specimens exhibited extensive deformation-induced banding phenomena. Grain boundary character analysis of the deformed specimens indicated that these deformation bands were kink bands with tilt grain boundaries prominently present at the band-matrix interface. Interestingly, the material within the kink bands rotated toward higher resolved shear stress, providing insights into the origins of kink band formation in body-centered cubic refractory metals. Intragranular misorientation axis analysis revealed that plasticity was dominated by {110} <111 > slip at 800 °C, whereas additional (213)[11⁢̄1] and (112)[11⁢̄1] slip systems activated at 1200 °C. A dense low-angle boundary networks observed near fractured surface indicated the onset of dynamic recrystallization. Results reveal plasticity governing mechanisms in AM-fabricated W under power plant-relevant conditions, and provide insights into kink band attributes in refractory metals.

Mayes, Riley [ORNL] (ORCID:000900089307010X)↗
NASA NTRSDate not supplied

High EneRgy Observatory for Imaging X-rays (HEROIX) Mission Concept

The High EneRgy Observatory for Imaging X-rays (HEROIX) is a next-generation broadband X-ray space telescope concept under development as a Medium-Class Explorer mission. Building on more than three decades of replicated NiCo shell technology at NASA’s Marshall Space Flight Center, HEROIX will deliver 5 arcsecond half-power-diameter imaging resolution in the hard X-ray band. The observatory will incorporate four co-aligned telescopes with advanced multilayer coatings, extending the bandpass into the hard X-ray regime and providing an integrated effective area of 380 cm² at 30 keV. A suite of focal plane detectors will enable imaging capability throughout its 1–80 keV bandpass. This combination of angular resolution and high-energy coverage will open new windows into non-thermal processes in extreme astrophysical environments. HEROIXwill deliver transformative science, advancing the astrophysics community’s understanding of supernova physics, the X-ray binary population of the Galactic Center, accretion-driven galaxy evolution, and the origin of the Cosmic X-ray Background.

Nick Thomas↗
DOE OSTI2024

Trust-Based Detection and Mitigation of Cyber Attacks in Distributed Cooperative Control of Islanded AC Microgrids

In this study, we address the challenge of detecting and mitigating cyber attacks in the distributed cooperative control of islanded AC microgrids, with a particular focus on detecting False Data Injection Attacks (FDIAs), a significant threat to the Smart Grid (SG). The SG integrates traditional power systems with communication networks, creating a complex system with numerous vulnerable links, making it a prime target for cyber attacks. These attacks can lead to the disclosure of private data, control network failures, and even blackouts. Unlike machine learning-based approaches that require extensive datasets and mathematical models dependent on accurate system modeling, our method is free from such dependencies. To enhance the microgrid’s resilience against these threats, we propose a resilient control algorithm by introducing a novel trustworthiness parameter into the traditional cooperative control algorithm. Our method evaluates the trustworthiness of distributed energy resources (DERs) based on their voltage measurements and exchanged information, using Kullback-Leibler (KL) divergence to dynamically adjust control actions. We validated our approach through simulations on both the IEEE-34 bus feeder system with eight DERs and a larger microgrid with twenty-two DERs. The results demonstrated a detection accuracy of around 100%, with millisecond range mitigation time, ensuring rapid system recovery. Additionally, our method improved system stability by up to almost 100% under attack scenarios, showcasing its effectiveness in promptly detecting attacks and maintaining system resilience. These findings highlight the potential of our approach to enhance the security and stability of microgrid systems in the face of cyber threats.

Computer Science↗
DOE OSTI2026

Development of an Amine Oxide Polyzwitterion Brush Martini Model with Polarizable Water and Ions

Abstract In order to accurately simulate the fouling process of proteins onto polyzwitterion brushes, models that accurately capture the hydration properties and chain conformations of such brushes must first be established. We developed a Martini coarse-grained (CG) model for amine oxide polyzwitterion (PNOMA) brushes, a promising class of antifouling materials, in polarizable water and ions by fitting to all-atom bond and angle distributions, monomer hydration free energy, monomer–monomer distance potential of mean force (PMF), and monomer–salt radial distribution functions (RDFs). Martini 2.2P was selected for compatibility with the established polarizable water and ion models. For comparison with PNOMA, we also constructed models for conventional sulfobetaine (PSBMA) and phosphorylcholine (PMPC) polyzwitterions and the polycation PMETAC using established nonbonded bead types from the literature and refitting bond and angle potentials. We simulated each polymer brush chemistry for varying grafting density and chain length, validating brush height scaling relations against experimental data. The CG models captured the relative hydration strengths among different polyzwitterion chemistries, and brush heights extrapolated to higher molecular weights are in agreement with experimental ellipsometry data. We find that chain swelling of the superhydrophilic PNOMA brushes lies between that of the traditional polyzwitterions PSBMA/PMPC and the polycation PMETAC. For PNOMA brushes in NaCl solution, simulated brush height decreases with salt concentration due to the selectively strong interactions between amine oxide and sodium ions.

Walker, Christopher C. [Oak Ridge National Laborat↗
DOE OSTI2025

Sustainable Triacetic Acid Lactone Production from Sugarcane by Fermentation and Crystallization

Triacetic acid lactone (TAL) has the potential to serve as a bioderived platform chemical for commercial products including sorbic acid and recyclable polydiketoenamine plastics. In this study, we leveraged BioSTEAM to design, simulate, and evaluate (via techno-economic analysis, TEA, and life cycle assessment, LCA) TAL production from sugarcane. We experimentally characterized TAL solubility, calibrated solubility models, and designed a process to separate TAL from fermentation broths by crystallization. The biorefinery could produce TAL at a minimum product selling price (MPSP) of $\$3.73$–5.86·kg –1 (5th–95th percentiles; baseline at $\$4.60$·kg –1 ) and a carbon intensity (CI) of 5.31 [2.60–8.71] kg CO 2 -eq·kg –1 , which could enable financially viable, low-CI production of sorbic acid and polydiketoenamines. To drive down costs and CI, we explored the theoretical fermentation space (titer, yield, productivity combinations), operation scheduling and capacity expansion strategies (e.g., integrated sorghum processing), and potential separation improvements (mitigating TAL loss through pH control). Advancements in key design and technological parameters could further reduce MPSP by 51% to $\$2.26$·kg –1 [$\$1.97$–2.80·kg –1 ] and CI by 43% to 3.05 [1.91–4.15] kg CO 2 -eq·kg –1 . This research highlights the ability of agile TEA-LCA to screen promising designs, navigate sustainability trade-offs, prioritize research needs, and chart quantitative roadmaps to advance bioproducts and biofuels.

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

Activation dynamics of a water-soluble human mu-opioid receptor

The mu-opioid receptor (MOR), a class A G protein-coupled receptor mediates opioid analgesia and remains a central target for pain therapeutics. While crystal structures of MOR exist, they provide limited insight into the receptor’s dynamic conformational landscape underlying function. Here, we engineered a thermostable water-soluble MOR variant (wsMOR) that retains native-like ligand-binding and activation dynamics. This variant enables high-yield production and detailed solution-phase structural studies that are challenging with membrane-embedded MOR, providing a valuable tool for studying receptor activation and aqueous-phase drug screening. Using a combined computational and experimental approach, we performed long-timescale all-atom molecular dynamics simulations together with neutron scattering and single-molecule FRET, revealing a structurally stable receptor with a diverse ensemble of conformations at different temporal resolutions. In the ligand-free state, wsMOR displayed high conformational flexibility, which decreased upon agonist binding, particularly in transmembrane helix 6, a hallmark of G protein-coupled receptor activation. Positive allosteric modulation and G protein binding further stabilized active-like states. These findings highlight wsMOR’s conformational plasticity across picosecond to millisecond timescales and provide a foundation for structure-guided development of next-generation opioid ligands with improved efficacy and safety.

E, Agyemang [University of Tennessee Knoxville]↗
DOE OSTI2025

Tunable Metasurface External-Cavity Quantum Cascade Lasers up to 5.74 THz

Vertical-external-cavity surface-emitting lasers based on amplifying quantum-cascade metasurfaces are demonstrated in the 5–6 THz range for the first time. Enhanced parasitic coupling to lossy surface modes requires updated design guidelines, while elevated losses and lower available material gain limit the scaling of the metasurface period from previous designs. A series of metasurface devices with varying periods employing both uniform and focusing metasurfaces is fabricated and characterized. Reducing the metasurface period below 70% of the free-space wavelength enables devices with superior performance, achieving pulsed operation up to 5.74 THz with peak output powers of 1.3 mW, maximum operating temperatures up to 83 K, and continuous-wave operation up to 54 K with 23 μW of output power. In the best case, single-mode tuning from 5.23–5.73 THz, which corresponds to a 9.1% fractional tuning, is realized with near-Gaussian far-field profiles maintained across the entire range. Finally, these results establish quantum cascade vertical-external-cavity surface-emitting lasers as promising candidates for high-frequency local oscillator applications in heterodyne spectroscopy.

gallium arsenide↗
DOE OSTI2026

Improving the Performance of NEML2 with Modern Graph Compilation Backends

NEML2 vectorizes constitutive-model evaluation for large-scale multiphysics simulation, using PyTorch as its tensor backend so that a batch of material-point updates runs on CPU or GPU through a single implementation. In the two prior reports in this series it was a C++-native library, deployed through TorchScript tracing and just-in-time (JIT) compilation; it has since been rewritten from the ground up into a Python-native library deployed through Ahead-of-Time Inductor (AOTInductor), a modern PyTorch graph-compilation backend. The rewrite is driven by a persistent tension, not a language preference: NEML2 composes constitutive models at runtime from a registry of small, independently-authored pieces, and that flexibility is difficult to reconcile with the compile-time knowledge an efficient GPU kernel needs. This report documents the rewrite and the investment that accompanied it: the AOTInductor export pipeline that turns a Python-authored model into a portable, Python-free compiled artifact loadable from pure C++; the eager and compiled runtimes and the new implicit solver layer built on them; a head-to-head benchmark of legacy JIT against AOTInductor; the physics-model catalog and its worked examples; the developer tooling; and the corresponding overhaul of MOOSE’s NEML2 integration that lets MOOSE consume it. A central objective is to examine whether modern PyTorch graph-compilation backends are effective for MOOSE GPU integration. The benchmark answers directly: AOTInductor outperforms legacy JIT on every GPU scenario measured, by 1.0–4.5×. Modern graph-compilation backends are effective for MOOSE GPU integration, and AOTInductor specifically – not compilation in the abstract – is why.

Hu, Gary (Tianchen) [Argonne National Laboratory (↗
DOE OSTI2026

Optimal binning of correlated measurements

Experimental measurements are commonly represented on a discrete grid, requiring a balance between granularity and statistical noise. Two strategies have traditionally been used to improve such representations: selecting an appropriate bin width to control discretization error and applying kernel-based smoothing to suppress fluctuations. Despite their shared goal, these approaches have largely developed independently, without a unified statistical description of how discretization and correlation jointly determine measurement precision. Here, we extend the discussion of optimal interval averaging to a correlation-aware setting by Gaussian process regression, which explicitly accounts for correlations among neighboring bins. Starting from first principles, we derive the mean-squared error of discretized measurements and obtain closed-form asymptotic expressions for the optimal bin width and correlation length. When recast in reduced variables, the theory reveals distinct universal scaling laws governing the error in the correlation-free and correlation-controlled regimes. Characterized by intrinsically smooth intensity profiles and counting-based statistics, neutron scattering measurements are well suited for demonstrating the enhanced error contraction enabled by inter-bin correlations. We show that such improvement is achievable over the experimentally accessible Q-range and across multiple instruments and material systems. These results show that explicitly accounting for correlations systematically reshapes the limits of precision in discretized, noise-limited measurements. More broadly, the framework provides a transferable statistical foundation for optimizing data representation, inference, and experimental design across the physical and data sciences.

Tung, Chi-Huan [ORNL] (ORCID:0000000221972074)↗
NASA NTRS2026

Beyond Melting: Amorphous Bonding for Joining and Consolidation

Crystallization may be the hidden constraint in thermoplastic composite manufacturing. It requires tightly controlled cooling, induces residual stresses through shrinkage, and introduces path-dependent behavior that complicates predictive modeling yet remains essential for structural performance. This work asks: can bonding be achieved without relying on melt-driven crystallization? To address this, thin (5–20 μm) polyetherimide (PEI) interlayers are pre-healed to slow-cooled polyaryletherketone (PAEK) in two contexts. The first, Thermabond®, is sub-melt joining of low melt-PAEK laminates. Results show that bond quality is governed primarily by processing (i.e., adequate healing and film handling) rather than modest changes in interlayer thickness. This concept is then extended to laminate-scale manufacturing through an architecture known as OATMEAL (Out-of-autoclave Amorphous/semicrystalline Thermoplastic Material for Energy-efficient Aerospace-grade Laminates). PEI is healed to carbon fiber reinforced polyetheretherketone (PEEK) at the prepreg and excess PEI is then ablated from the surface. Crystallinity is developed off-line during prepreg fabrication, while subsequent consolidation occurs below the melt temperature to preserve it. Cross-ply warpage experiments show that, contrary to intuition, repeated amorphous interfaces reduce global curvature by lowering the effective stress lock-in temperature and eliminating crystallization shrinkage from the lamina response. Correspondingly, laminate behavior is accurately predicted using classical laminate theory (CLT) with a single effective stress-free temperature, whereas conventional CF/PEEK requires accounting for crystallization-driven effects. By decoupling interfacial healing from crystallization, OATMEAL enables sub-melt consolidation, reduces energy consumption by up to 75%, and increases manufacturing throughput by fivefold. These results demonstrate that amorphous bonding is not only a joining strategy, but a pathway to more predictable and scalable thermoplastic composite manufacturing.

solidification↗
NASA NTRS1997

The Effect of Gravity on the Combustion of Bulk Metals

In recent years, metal combustion studies at the University of Colorado have focused on the effects of gravity (g) on the ignition and burning behavior of bulk metals. The impetus behind this effort is the understanding of the ignition conditions and flammability properties of structural metals found in oxygen (O,sub>2 ) systems for space applications. Since spacecraft are subjected to higher-than-1g loads during launch and reentry and to a zero-gravity environment while in orbit, the study of ignition and combustion of bulk metals at different gravitational accelerations is of great practical concern. From the scientific standpoint, studies conducted under low gravity conditions provide simplified boundary conditions, since buoyancy is removed, and make possible the identification of fundamental ignition and combustion mechanisms. This investigation is intended to provide experimental verification of the influence of natural convection on the burning behavior of metals. In addition, the study offers the first findings of the influence of gravity on ignition of bulk metals and on the combustion mechanism and structure of metal-oxygen, vapor-phase diffusion flames in a buoyancy-free environment. Titanium (Ti) and magnesium (Mg) metals were chosen because of their importance as elements of structural materials and their simple chemical composition-pure metals instead of multicomponent alloys to simplify chemical and spectroscopic analyses. In addition, these elements present the two different combustion modes observed in metals: heterogeneous or surface burning (for Ti) and homogeneous or gas-phase reaction (for Mg). Finally, Mg, Ti, and their oxides exhibit a wide range of thermophysical and chemical properties. Metal surface temperature profiles, critical and ignition temperatures, propagation rates, burning times, and spectroscopic measurements are obtained under normal and reduced gravity. Visual evidence of all phenomena is provided by high-speed photography.

Melvyn C Branch↗
DOE OSTI2026

Concerted Electron-Ion Transport by Polyacrylonitrile Elucidated with Reactive Deep Learning Potentials

Charge transport in polymers, such as polyacrylonitrile (PAN), is crucial for electronics and energy storage. For instance, PAN can transport cations e.g., Li + , by facilitating dynamic cation-nitrile coordination in batteries. However, little is known regarding the underlying role of complex reactive polymer configurations. Herein, we develop a deep-learning potential, trained on ab initio energies and forces of nonequilibrium reactive PAN configurations, to unravel the kinetics of PAN cyclization initiated by a nucleophile (OH – dissociated from LiOH) attacking the terminal nitrile carbon. We find, based on the reaction free-energetics, rates, and charge analysis, that the nucleophile attack producing the first ring is the rate-limiting step, which subsequently triggers Li + -coupled electron transfer along the PAN backbone, causing ∼10 4 times faster sequential ring-formation of the remaining nitriles. PAN’s extended configurations, where dipolar and H-bonding interactions are minimal, enable such rapid kinetics. By validating our computational findings with IR and NMR experiments, we establish a pathway for designing reactive polymers with enhanced charge transport for energy applications.

Chahal-Crockett, Rajni [Oak Ridge National Laborat↗
DOE OSTI2026

Gas permeation properties of amorphous zeolitic imidazolate framework membranes made by atomic/molecular layer deposition

Amorphous metal-organic framework (MOF) membranes are desirable because they may retain some of the molecular sieving properties of their crystalline counterparts while being free of grain boundary defects, which often hinder the consistent achievement of high membrane performance. However, current methods, like melting and compression, for fabricating amorphous MOF membranes involve multi-step processes that require the formation of a crystalline membrane first, that is then amorphized, and therefore, could be challenging to scale. Here, we utilize atomic/molecular layer deposition (ALD/MLD) of diethylzinc (DEZ) and 2-methylimidazole (2mIm) to directly synthesize ultrathin amorphous zeolitic imidazolate framework (aZIF) deposits on γ-alumina-coated α-alumina supports. As the number of ALD/MLD cycles increased from 10 to 300, gas permeances decreased while ideal selectivities increased. Mixture separation factors for C3H6/C3H8, CO2/N2, and H2/C3H8 as high as 4, 37, and 194, respectively, were obtained. At 200 °C and 2.5 bar equimolar feed of H2 and C3H8, a H2/C3H8 mixture separation factor of 185 is obtained with an H2 permeance of ca. 4.15x10-8 mol/m2-s-Pa (124 GPU). Additionally, the membrane achieves a CO2/N2 mixture separation factor of 37 at 25 °C and 1 bar with a CO2 permeance of ca. 3.96x10-8 mol/m2-s-Pa (118 GPU). Considering the vast array of compositionally distinct aZIFs that can be potentially deposited by this approach, an enormously large parameter space for membrane design is emerging to be explored.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Power and Propulsion Element Steerable High Gain Antenna Lunar Transit Thermal Analysis Tracking Methodology

The Power and Propulsion Element (PPE) is an ion thruster propulsion spacecraft developed as an element of Space Reactor (SR-1) Freedom to provide propulsion, communications and power for the spacecraft. PPE was originally being developed for the use with the lunar orbiting space station Gateway as one of the first two planned elements. PPE was to be launched with the Habitation and Logistics Outpost (HALO) element in a configuration called the Co-Manifested Vehicle (CMV) that would arrive at a Near-Rectilinear Halo Orbit (NRHO) around the Moon via a lunar transit spiral trajectory phase. The PPE communication system is equipped with two Steerable High Gain Antennas (SHGA) each steered by a two-axis gimbal (TAG) mechanism. A thermal analysis was conducted during the near-Earth spiral phase of the mission using Thermal Desktop (TD). This analysis utilized multiple axis Earth tracking articulators in combination with SINDA system internal environmental heating symbols to produce accurate Earth ground station tracking communication system temperatures. This presentation provides an overview of the communication system thermal model and the analysis methodology.

Thermal Analysis↗
DOE OSTI2026

Multi-modal dynamic radiography using short-pulse laser-generated probe beams

Radiography is an important tool for the interrogation of dynamic experiments in the fields of dynamic properties of materials, and in condensed matter, high explosive, and high-energy-density physics. Multi-modal radiography advances the hypothesis that combining the information delivered by multiple radiographic modalities can lead to more constrained (improved) “reconstruction” of the scene than can be obtained from a single probe. We identify four modalities: multi-probe, time sequence, multi-view, and multi-messenger. Multi-probe radiography is a promising candidate for a next-generation dynamic radiographic facility. High-energy X-rays are the most frequently used probe for dynamic radiography, although recent developments show the utility of proton (pRad), electron (eRad), and neutron probe beams. Because each probing species interacts with material in the radiographic scene through quantitatively different mechanisms, each returns independent information about the scene, which can add extra constraints to the reconstruction process. How to conduct detailed, quantitative “co-analysis” of multiple data streams remains an area of active research. Multi-beam, short-pulse, laser-generated probes offer sufficient dose, an appropriate spectrum, and appropriate spatio-temporal resolution to produce high-quality dynamic radiographs. This paper reports on technology development to advance the state of the art of multi-modal/multi-probe radiography and the pursuit of both deterministic and inferential (AI/ML assisted) co-analysis methodologies to produce more constrained reconstructions from multi-modal data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Anode-less Solid-State Li–S Batteries Enabled by Fe-Stabilized Polysulfides

Anode-less solid-state lithium-sulfur batteries (SSLSBs) with lithium sulfide (Li 2 S) as the cathode promise a high energy density and ease of manufacturing. However, Li 2 S is plagued by poor conductivity, sluggish activation kinetics, and a poor cycle life. Here, in this study, we report an FeCl 3 -activated Li 2 S (FLS) cathode with solid-state polysulfide intermediates generated through a redox reaction between FeCl 3 and Li 2 S. This strategy is shown to boost the electrical conductivity of Li 2 S by 7 orders of magnitude and lower the activation barrier. During cycling, Fe plays a significant role in stabilizing the highly active polysulfide species, contributing to the exceptional electrochemical performance. The FLS cathode achieves 80% capacity retention over 500 cycles with >99% Li 2 S utilization. Furthermore, a Li-metal-free (anode-less) full cell retained over 80% of its initial capacity after 240 cycles. This work underscores the promise of leveraging Fe-stabilized polysulfides in enabling high-energy, long-lasting, solid-state Li-S batteries.

25 ENERGY STORAGE↗