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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Catalytic Membrane Reactors Based on Carbon Molecular Sieve Hollow Fiber Membranes for Sustainable and Modular H 2 Production

We aimed to develop a catalytic membrane reactor (CMR) that couples water–gas shift (WGS) reaction with in-situ H 2 separation to produce blue H 2 and a CO 2 -rich stream from coal- and biomass-derived syngas. Our core approach employs high-permeance carbon molecular sieve (CMS) hollow-fiber membranes (HFMs) with strong gas separation ability, which we further integrate into catalytic membrane reactors to intensify H 2 production and CO 2 capture in a single unit. Three organizations with complementary skills collaborated to achieve the goal, including the University at Buffalo (UB), Los Alamos National Laboratory (LANL), and Trimeric Corporation (Trimeric).

08 HYDROGEN↗
DOE OSTI2026

Degradation science: Integrating modeling and experiments to predict localized corrosion processes (Annual Progress Report)

Additively manufactured (AM) eutectic high-entropy alloys (EHEAs), such as nano-lamellar AlCoCrFeNi 2.1 , have excellent strength, ductility, and wear resistance even at elevated temperatures, but their corrosion behavior in aggressive acids at different length scales remain poorly understood. This work investigates the corrosion behavior of laser powder bed–fused (L-PBF) AlCoCrFeNi 2.1 as a function of annealing temperatures, probing degradation mechanisms from nanoscopic to macroscopic length scales. The alloy is dual phase consisting of a ductile FCC L1 2 phase and a high-strength BCC B2 phase. Rapid solidification during L-PBF produces a far-from-equilibrium nano-lamellar structure with nearly homogeneous elemental distribution, which tends to evolve upon annealing toward Cr/Co/Fe-enriched FCC and Al/Ni-enriched B2. Three conditions were studied: as-printed, 600 °C/5 h, and 1000 °C/1 h, over which B2 lamellae coarsen, lamellar spacing increases, and elemental segregation becomes more prominent. Microstructure and chemistry were characterized by scanning electron microscopy (SEM) and energy-dispersive spectroscopy (EDS), while in-situ electrochemical atomic force microscopy (EC-AFM) was used to link early (<5 h) local dissolution to microstructure after exposure in sulfuric acid. EC-AFM highlights preferential dissolution of the BCC/B2 phase where the surrounding matrix is Cr-depleted and directly quantifies the dissolution rates within individual phases, tracks the transition from early nano-scale attack to partial repassivation, to correlate height differences with current and impedance responses. To monitor longer-term behavior (up to 96 h), ex-situ AFM, SEM, and confocal imaging were combined with conventional bulk electrochemical tests, bridging nanoscale observations to micro/meso-scale damage morphologies. At the meso-scale, the deepest dissolution channels align with the build-direction lamellae and melt-pool boundaries, indicating that printing directionality guides the propagation of these localized corrosion sites. Annealing modifies corrosion by restructuring BCC/FCC phase fractions, lamellar spacing, and Cr/Al segregation, thereby changing the cathode/anode ratio and passive film stability. The results clarify how as-printed and annealed nano-lamellar architectures differ in their susceptibility to selective dissolution; how elemental segregation competes with residual stresses along the build direction. With these insights, future work will use CALPHAD-guided alloy modification to stabilize higher Cr contents in the B2 phase while retaining a dominant FCC+B2/BCC microstructure, with the goal of designing mechanically robust, corrosion-resistant EHEAs for safety-critical applications to leverage the LLNL’s broader national and global security mission.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Determining Optimal Magnetometer Configuration on MAGIS-100

Long-baseline atom interferometers such as the Matter-wave Atomic Gradiometer Interferometric Sensor (MAGIS-100) require stringent control and continuous characterization of background magnetic fields and spatial gradients to prevent systemic phase shifts that mimic ultralight dark matter or gravitational wave signatures. Because direct sensor placement within the ultra-high vacuum beam pipe is infeasible, in-situ magnetic field monitoring relies on external sensor arrays situated in the surrounding annular region. This work demonstrates a field reconstruction framework for a 5.3-meter MAGIS-100 modular section using finite-element Opera simulations. Transverse magnetic fields are expanded using a cylindrical multipole framework as informed by Fermilab’s Muon g-2 experiment, with magnetometer array configurations optimized via Fisher information matrix D-optimality. Inverting external sensor readings through a Gauss-Newton scheme recovers interior tube fields across distinct axial positions. In the discontinuity-averse uniform region (slice pair P4), the model achieves sub-noise-floor performance with a cross-validated root-mean-square error (RMSE) of $6.7227 \times 10^{-4}\text{ A/m}$ ($0.845\times$ sensor noise floor) and an interior field coefficient of variation of $1.71\%$. An elbow criterion in the Fisher bounds establishes $n_{\text{max}} = 2$ as the optimal multipole truncation order to prevent noise amplification from over-parameterization, with $n_{\text{max}} = 3$ (sextupole) order chosen for analysis to demonstrate further complexity and cross-pair comparison. Furthermore, analytical differentiation of the fitted multipole coefficients yields dense spatial maps of the transverse Jacobian gradient matrix $\nabla \mathbf{H}$ along with propagated $1\sigma$ uncertainty bounds across the beam region ($r \le 2.75\text{ in}$). This operational framework confirms that external magnetometer arrays can reliably monitor magnetic field uniformity and spatial gradients along the 100-meter flight path given appropriate sampling for any complexity order.

Appleby, Darwin [William Rainey Harper Coll.] (ORC↗
DOE OSTI2026

Determining Optimal Magnetometer Configuration on MAGIS-100

Long-baseline atom interferometers such as the Matter-wave Atomic Gradiometer Interferometric Sensor (MAGIS-100) require stringent control and continuous characterization of background magnetic fields and spatial gradients to prevent systemic phase shifts that mimic ultralight dark matter or gravitational wave signatures. Because direct sensor placement within the ultra-high vacuum beam pipe is infeasible, in-situ magnetic field monitoring relies on external sensor arrays situated in the surrounding annular region. This work demonstrates a field reconstruction framework for a 5.3-meter MAGIS-100 modular section using finite-element Opera simulations. Transverse magnetic fields are expanded using a cylindrical multipole framework as informed by Fermilab’s Muon g-2 experiment, with magnetometer array configurations optimized via Fisher information matrix D-optimality. Inverting external sensor readings through a Gauss-Newton scheme recovers interior tube fields across distinct axial positions. In the discontinuity-averse uniform region (slice pair P4), the model achieves sub-noise-floor performance with a cross-validated root-mean-square error (RMSE) of $6.7227 \times 10^{-4}\text{ A/m}$ ($0.845\times$ sensor noise floor) and an interior field coefficient of variation of $1.71\%$. An elbow criterion in the Fisher bounds establishes $n_{\text{max}} = 2$ as the optimal multipole truncation order to prevent noise amplification from over-parameterization, with $n_{\text{max}} = 3$ (sextupole) order chosen for analysis to demonstrate further complexity and cross-pair comparison. Furthermore, analytical differentiation of the fitted multipole coefficients yields dense spatial maps of the transverse Jacobian gradient matrix $\nabla \mathbf{H}$ along with propagated $1\sigma$ uncertainty bounds across the beam region ($r \le 2.75\text{ in}$). This operational framework confirms that external magnetometer arrays can reliably monitor magnetic field uniformity and spatial gradients along the 100-meter flight path given appropriate sampling for any complexity order.

Appleby, Darwin [William Rainey Harper Coll.] (ORC↗
DOE OSTI2026

Upgrading Biogas through in situ Conversion of Carbon Dioxide to Biomethane in Anaerobic Digesters

Organic waste streams generated by wastewater treatment plants, agricultural operations, and food processing industries represent an important yet underutilized opportunity for renewable energy production in the United States. Through anaerobic digestion, these waste streams can produce biogas, a mixture primarily composed of methane (CH4) and carbon dioxide (CO2), that can be upgraded to pipeline-quality natural gas. However, most existing upgrading technologies remove CO2 from biogas rather than utilizing it, leaving a significant portion of the potential energy unused. This project investigates a novel biological upgrading approach that converts CO2 into additional CH4 by supplying hydrogen (H2) to specialized microorganisms capable of performing hydrogenotrophic methanation. The main challenges associated with biological biogas upgrading are related to hydrogen supply, gas-liquid mass transfer, and process stability. First, due to the high cost of hydrogen gas, it is preferable that H2 be produced on-site using renewable energy sources such as wind or solar power. Second, hydrogen has low solubility in liquids, which limits its availability to microorganisms and requires strategies to improve gas dissolution and transfer within the reactor. Third, process inhibition may occur as a result of increased pH caused by CO2 consumption or elevated H2 partial pressure, both of which can negatively affect methanogenic activity. Although research in these areas has advanced during the course of this project, these challenges have not yet been fully resolved. To date, the biological systems that have achieved the highest methane concentrations are typically ex-situ reactors, where operational conditions can be more easily controlled. For this reason, the findings of the present project remain highly relevant. The project goal was to develop an innovative system that can accomplish biogas upgrading via biological conversion of CO2 to CH4, in a novel hybrid approach that combines the advantages of both in-situ and ex-situ systems. The proposed system employs a three-phase upflow anaerobic bioreactor with H2 delivery through a gas-permeable membrane, enabling efficient hydrogen transfer and microbial conversion. Under optimized operating conditions, the system achieved 99% H2 consumption and 90% CO2 conversion. A subsequent gas cleaning stage was implemented to further improve gas quality and meet target purity standards. The upgraded gas composition reached 97.7% CH4, 2.2% CO2, and 0.97% O2, while H2S concentrations remained below detection limits. In addition, a flue gas-driven inorganic thermoelectric generator (TEG) system was designed and experimentally validated as a potential source of electricity for H2 production. The system consisted of six TEG modules connected in series and achieved an open-circuit voltage of 4.5 V and a maximum power output of 224 mW at a temperature difference of approximately 53.5 °C, demonstrating effective conversion of waste heat into electrical power under simulated flue gas conditions. Finally, a comprehensive techno-economic analysis was completed to evaluate the capital and operating costs associated with the proposed system. The results provide important insights to guide future scale-up, optimization, and potential deployment of integrated biological biogas upgrading technologies.

09 BIOMASS FUELS↗
DOE OSTI2026

FY26 Progress Report on the Operation of the Activated Materials Laboratory at the Advanced Photon Source as a Nuclear Science User Facilities Partner Facility

The Activated Materials Laboratory (AML), located in the Long Beamline Building of the Advanced Photon Source (APS) at Argonne National Laboratory (ANL), provides a centralized radiological capability for preparing, handling, and supporting synchrotron experiments on activated materials. As a Nuclear Science User Facilities (NSUF) partner facility, the AML enables the receipt of radioactive shipments, open-form sample handling, encapsulation, transport of specimens to and from APS beamlines, and experimentation with dedicated equipment. The partnership includes the APS 1-ID and 20-ID beamlines, which provide high-energy x-ray scattering, tomography, and diffraction microscopy techniques for ex-situ, in-situ, and grainresolved three-dimensional (3D) characterization. All samples supported through the AML and partner beamlines must meet radiological limits of less than 100 mrem/h at 30 cm. This FY26 progress report summarizes the first full year of AML operations as an NSUF partner facility and highlights progress in both user support and capability development. By the end of FY26, the AML had received a total of 10 NSUF-awarded projects, including 2 Consolidated Innovative Nuclear Research (CINR), 7 Rapid Turnaround Experiment (RTE), and 1 Super RTE projects. Beamtime was fully delivered for 3 RTE projects and partially delivered for 1 CINR project, demonstrating successful workflows for receipt, encapsulation, beamline transfer, and radiological experiment execution. These efforts demonstrated safe radiological experiments at APS beamlines for samples with dose rates above the historical 5 mrem/h threshold and now up to 100 mrem/h at 30 cm, marking an important milestone for neutron-irradiated materials research. During FY26, the AML also expanded its experimental capabilities. A Psylotech xTS load frame with in-grip rotation was deployed for room-temperature mechanical testing with threedimensional x-ray characterization during interrupted loading. A Linkam TS1500V vacuum heater was commissioned for thermally driven studies, and temperature calibration experiments were performed to establish specimen-relevant thermal profiles. In parallel, a customized split-tube furnace for high-temperature mechanical testing entered commissioning, and initial work began on robotic sample handling to reduce worker dose and improve operational efficiency. Data workflow and beamline operations continued to mature. Together, these developments demonstrate that the AML is becoming a unique national resource for safe, efficient, and scientifically advanced characterization of activated materials at the APS.

Zhang, Xuan↗
DOE OSTI2026

Block Island Environmental Monitoring Data (Weather, Waves & Sensor Depth)

This dataset contains meteorological, oceanographic, and sensor-depth data collected near Block Island during the 2016 and 2017 RODEO field seasons to provide environmental context for concurrent acoustic and survey operations. It includes buoy-derived wind and wave time series, in-situ water temperature logger records, and depth (pressure) records from a sensor mounted on the vertical line array.

17 WIND ENERGY↗
DOE OSTI2026

Advancing the quantification of aerosol-cloud interactions with the CALIPSO-CloudSat-Aqua/MODIS record

Aerosol-cloud-precipitation interactions are assessed over the non-polar ocean using more than 11 years of combined Aqua-MODIS, CALIPSO-CALIOP, and CloudSat products. The analysis first shows the benefit of incorporating vertically resolved aerosol extinction coefficient (σext) in aerosol-cloud interactions (ACI) assessments, demonstrating that: σext vertically collocated with the cloud layer () correlates best with cloud droplet number concentration (Nd), column-integrated aerosol optical depth (AOD) cannot explain the Nd variability in the extratropics, and the S-shape of the AOD-Nd relationship reported in previous studies is not replicated when using instead of AOD, with a Nd- linearity more consistent with in-situ studies over the ocean. ACI metric, estimated as the log-scale regression between CALIOP and MODIS Nd reveals that the eastern Pacific is the region with the strongest ACI, followed by the Southern Ocean. The susceptibility of clouds to changes in their liquid water path (LWP) and frequency of precipitation followed a 2-step calculation by combining the Nd- regression (ACI) with the regression between these macrophysical variables and Nd. LWP susceptibility is negative (LWP decreases with aerosol loading) and statistically significant over the eastern Pacific, eastern Atlantic, and extratropics. In contrast, vast areas of the tropical and subtropical ocean feature negligible changes in LWP with aerosol. Precipitation frequency susceptibility is negative, but the values are only significant over the coastal eastern Pacific and Atlantic. The findings suggest that previous modeling assessments relying on AOD may need to be revisited by taking advantage of the synergy between passive and active sensors.

Li, Zhujun↗
DOE OSTI2026

Neural Scaling Laws for Jet Generation

Recently observed empirical scaling laws describe the performance of foundation-type models as three independent key quantities -- dataset size, compute, and model parameters -- are modified. Extracting these scaling laws informs the training of large complex models for which the tuning of hyperparameters in traditional ways is not feasible. This work for the first time explores if scaling laws can also be observed for the task of particle jet generation -- both relevant as a pre-training objective for foundation models and as in-situ simulation by itself. We indeed replicate the key logarithmic scaling law behavior for model-size scaling. Beyond studying the next token prediction validation loss of the generative model, we also study the sliced Wasserstein distance of five physical quantities that are not immediately available to the model during training. Our study shows that this quantity is monotonically related to the next token prediction validation loss, meaning that this loss is indeed a good proxy for the physics performance. For the scaling with dataset size and compute, we observe substantially weaker scaling behavior of both the loss and the sliced Wasserstein distance. We analyze this behavior by introducing the concept of a learnable window, and argue that autoregressive next token prediction on jet constituents exhibits comparatively rapid saturation relative to language-model studies. We discuss possible origins of this behavior, including the stochastic nature of QCD radiation and differences between generative and supervised learning tasks in collider physics.

Amram, Oz [Fermilab]↗
DOE OSTI2026

Enabling In-Core Strain Measurement: Printed Sensors for Advanced Reactors

Advances in nuclear energy systems require an improved understanding of fuels, cladding, and structural materials; however, the extreme environmental conditions at irradiation test facilities often limit mechanical property evaluation to post-irradiation examination. In-situ monitoring techniques can accelerate materials qualification by providing direct insight into real-time material behavior during irradiation testing. Additively manufactured (AM) strain gauges offer a compact, material-compatible alternative to commercial sensors, particularly where space constraints, attachment limitations, or material compatibility requirements complicate conventional sensor use. This poster presents an overview of the development and testing of AM strain gauges in nuclear-relevant environments, demonstrating their potential to enhance structural health monitoring capabilities during irradiation experiments.

36 - MATERIALS SCIENCE↗
DOE OSTI2026

Advanced Test Reactor Safety Basis Update for Gas-Cooled Experiments

The Advanced Test Reactor (ATR) supports neutron irradiation of several types of experiments. One such experiment type is referred to as a gas leadout. Gas leadout experiments actively flow gas through the experiment which allows for active temperature control. It also allows for in-situ data of the experiment. For example, fission gas migration through a fuel sample can be monitored via activity of the sweep gas. Historically, ex-pile equipment and fission product monitors were housed in shielded ATR cubicles. Due to other facility updates, cubicle space is no longer available for gas leadout experiment equipment. To support continued operation of gas leadout experiments, ATR completed a safety basis update that supports a new housing for leadout equipment that may process potentially contaminated gas. In addition to the structure and associated equipment, technical safety requirements regarding handling and storage of experiments needed to be revised to support fueled gas leadout experiments and associated outage configurations. The safety basis update addressed the full lifecycle of these experiments, including experiment movement and interim storage, and credible abnormal events such as failures or leaks in contaminated gas tubing in occupied areas. This paper discusses the completed analyses performed to support the safety basis update associated with gas leadout experiments, including thermal-hydraulic evaluation, probabilistic analysis, and dose consequence analyses.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

The ePIC dual-radiator RICH detector

The dual radiator Ring Imaging Cherenkov (dRICH) detector is required to provide continuous hadron identification from ≈3 GeV/c up to ≈50 GeV/c, and to supplement electron and positron identification from a few hundred MeV/c up to about 15 GeV/c, in the forward (ion-side) end-cap of the ePIC experiment. Such an extended momentum range imposes the use of two radiators, gas and aerogel. The common imaging system, that ensures compactness and cost-effectiveness, is based on SiPM sensors to work in a high non-uniform magnetic field. During the R&D phase, the dual radiator principle and the single component performance have been validated. A status overview of the project is presented. The design and technological choices are discussed together with the results obtained from laboratory characterization of the component demonstrators and beam tests of the evolving prototypes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Activationof Oxygen Evolution Electrocatalysis viaReduced Ruthenium–Oxygen–Ruthenium Coordination

Noble metal oxides such as RuO2 are the state-of-the-art electrocatalysts for anodic reactions in acidic electrolytes, but their scarcity and moderate activity greatly limit emerging renewable energy technologies. Here, we show that oxidized overlayers of ruthenium on earth-abundant manganese oxide (MnO2/o-RuOx) nanocrystal supports exhibit Ru chemical states associated with reduced Ru–O–Ru coordination that enable dynamic switching of hydrogen bonding, with *OH intermediates hydrogen bonding to surface O and *OOH intermediates bonding to protruding RuOx clusters. The resulting electrocatalysts exhibit an overpotential of 218.9 ± 0.3 mV at 10 mA cm–2 for the oxygen evolution reaction in acid, corresponding to a 2425% increase in Ru mass activity compared to RuO2, enabling the construction of electrolyzers that achieved 3 A cm–2 at 1.646 V, 5.54 A cm–2 at 1.8 V, and exhibited over 3000-h stability at 100 mA cm–2. These findings motivate further efforts to develop nanomaterials that harness reduced Ru–O–Ru coordination to enable emerging renewable energy technologies.

58 GEOSCIENCES↗
DOE OSTI2026

Fe-single atom catalysts facilitate fast electron transfer with MoS 2 /SnS 2 cathodes in lithium–sulfur batteries

Lithium–sulfur batteries (LSBs) emerge as promising next-generation energy storage systems offering cost-effectiveness, environmental friendliness, and high theoretical energy density. The practical implementation of LSBs faces significant hindrances due to the shuttle effect and sluggish redox reactions. To address these challenges, single-atom catalyst (SAC) based combination materials from d-block elements can offer increased active catalytic sites, rapid charge transfer, accelerated electron migration, and fast sulfur redox conversion kinetics of lithium polysulfides (LiPSs). In this study, we fabricated three different LSB cathodes: pure S, S@MoS 2 /SnS 2 , and S@Fe–MoS 2 /SnS 2 . These cathodes were then used to explore the cycle life, capacity, rate capability, and redox kinetic reactions of LiPSs while assessing the influence of Fe-SACs on their performance. As a result, LSBs with S@Fe–MoS 2 /SnS 2 cathodes demonstrate an extended cycle life of 1000 cycles at a C-rate of 0.2C, maintaining a capacity close to 500 mA h g −1 , the highest initial discharge capacity of 1622 mA h g −1 and 1066 mA h g −1 at 0.05C and 0.2C, and excellent rate capabilities of 708 mA h g −1 and 558 mA h g −1 at 1C and 2C, respectively. The synergistic effect of the Fe-SAC-based combination cathode (S@Fe–MoS 2 /SnS 2 ) creates plentiful adsorptive and highly active catalytic sites, resulting in substantially enhanced capacity for adsorbing soluble long-chain LiPSs. This facilitates ultra-fast redox kinetics, surpassing the performance of the S@MoS 2 /SnS 2 and pure S cathodes. In the ex situ analysis, results from powder X-ray diffraction (XRD) to observe the new phase, soft X-ray absorption spectroscopy (XAS) to investigate the electronic structure, and hard X-ray photoelectron microscopy (HAXPES) with different energies (900 eV, 2000 eV, and 6000 eV) to track the chemical-state evolution of Fe-SACs in MoS 2 /SnS 2 cathodes displayed notable electrochemical reversibility involving S 8 ⇄ LiPSs ⇄ Li 2 S conversion even after 1000 cycles. Additionally, in situ, operando Raman analysis can unveil a novel catalytic mechanism of Fe-SACs in MoS 2 /SnS 2 “facilitating rapid electron transfer” during the discharge and charge processes of LSBs involving the conversion of S 8 ⇄ long-chain LiPSs ⇄ Li 2 S 2 /Li 2 S. This study elucidates the working mechanism of Fe-SAC cathodes, offering insights into overcoming the shuttle effect and facilitating sulfur redox kinetics to advance commercial LSBs.

36 MATERIALS SCIENCE↗
DOE OSTI2026

In situ catalyst activation and regeneration enable energy-efficient high-current CO 2 reduction to ethanol-rich C 2+ mixtures

Electrochemical conversion of dissolved CO 2 in bicarbonate electrolytes, i.e., bicarbonate electrolysis, offers distinct advantages over gas diffusion electrode systems by enabling direct utilization of the CO 2 capture electrolyte while bypassing the energy-intensive CO 2 release step. However, bicarbonate electrolysis faces challenges such as CO 2 mass-transfer limitation, local pH-driven CO 2 depletion, and high cathodic potentials. The higher potential often causes catalyst surface reorganization, leading to a gradual loss of active sites and variations in selectivity during CO 2 reduction. Here, we report a directed, in situ activation and regeneration method that allows precatalysts to equilibrate under dynamic (pulsed) electrolysis conditions. We demonstrate in situ activation of a scalable Cu 2 O/Cu mesh that, under short-width (t = 4 s) pulsed electrolysis, provides stable mixed oxidation states of Cu, favoring the formation of an ethanol-rich crude mixture. The pulsed electrolysis waveform, consisting of six distinct segments, is tuned to form Cu + oxides, which are then reduced to generate local alkaline conditions favoring C–C coupling. This synergistic effect results in FEs of 73% for C2+ products and 39% for ethanol at an applied current density of −150 mA cm −2 and a cathodic potential of −1.45 V (vs. RHE). The overall half-cell energy efficiency is ∼30% for C 2+ products. The in situ Raman experiments confirm the role of pCO 2 R in dynamically regenerating Cu+-containing surface species during pulsed operation, thereby steering selectivity towards C 2+ products. A comprehensive multiscale, multiphysics model is developed to investigate the dynamic behavior of copper surface species (Cu, Cu + , and Cu 2+ ) and local microenvironmental conditions during the pCO 2 R. The results reveal that the coexistence of different copper oxidation states, especially the Cu+ intermediate, is critical in steering selectivity towards multicarbon (C 2+ ) products. The dynamic modulation of surface redox states via tailored pulsing strategies favors C–C coupling pathways by inducing localized alkaline conditions and stabilizing reactive intermediates. This work establishes a predictive modeling platform that links pulse waveform design with mechanistic insights into catalyst state evolution and product selectivity. Overall, this study provides valuable insights into the synergistic effect of in situ activation of pre-catalysts and pulsed electrolysis for higher selectivity towards C 2+ products.

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

Strong Effect of Nonpolar Solvent Molecular Structure on CdSe Nanoplatelet Stacking

We report a drastic difference in stacking behavior of oleic acid-stabilized 4-monolayer (4 ML) CdSe nanoplatelets (NPLs) in toluene and methylcyclohexane (MCH), two nonpolar solvents that differ in the conformational flexibility of their molecules. Using liquid cell transmission electron microscopy (TEM) and small angle scattering (SAXS) techniques, we show that NPLs form microns-long ribbons consisting of 4 ML CdSe NPLs in toluene, the solvent widely used to form stable colloidal solutions of a broad range of quasi-spherical nanoparticles. In contrast, 4 ML CdSe NPLs are well dispersed in MCH. The difference in stacking behavior of NPLs in toluene and MCH suggests that the conformational flexibility of the solvent molecules, such as the ability to adopt multiple chair conformations, modulates nanoplatelet interactions. Molecular dynamics (MD) simulations reveal that solvent molecules subtly alter the structure of the organic ligand shell. These solvent-dependent changes propagate to the inorganic core, modulating the degree of CdSe nanoplatelet (NPL) twisting and, consequently, the properties of the nanoparticles. We show that toluene better solvates oleate ligands while MCH induces a bimodal oleate span distribution, which can lead to increased solubility of CdSe NPLs. In addition, the solvent can also influence the inorganic core, which, in turn, can modify the nanoparticle properties. We demonstrate that destabilization of toluene solution containing ribbons of 4 ML CdSe NPLs without CdS shells results in the formation of NPL assemblies with amplified spontaneous emission (ASE) with a low threshold of 14 µJ cm−2 that is comparable with that of CdSe/CdS core/shell NPLs. Our results emphasize that the solvent plays a major role in mediating interactions between NPLs and hence their processability for fabrication of functional structures.

CdSe↗
DOE OSTI2026

Growth Strategy of a Hybrid Yb3Rh4Sn13/LaRuSn3 Structure Type: Integrating Thermal Analysis, In Situ Diffraction, and Geometric Descriptors

Remeika phases form a versatile family of cage like intermetallics built from transition metal–centered trigonal prisms linked into three dimensional frameworks that generate two characteristic voids: a large [AX₁₂] cuboctahedral cage hosting the rare earth ion and an [XX′₁₂] icosahedral cage accommodating the tetrel atom. In this work, we present a tool driven approach for targeted solid state synthesis of Remeika phases, integrating differential scanning calorimetry, in situ neutron diffraction, and a geometric tolerance factor that quantifies rare earth size compatibility within these polyhedral cages. When combined with arc melting and metallic flux crystal growth, this framework enables prediction, verification, and isolation of specific Remeika phases. Applying this strategy, we obtain single crystals of the predicted pseudo-perovskite Fe based Remeika compound Yb0.9FeGe3.1. More broadly, this perspective highlights how coupling real time structural probes with simple geometric descriptors provides a general pathway for designing synthesis conditions and accessing potentially metastable structure types in complex intermetallic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Circumventing thermodynamic limitations in converting carbon dioxide into carbon nanotubes via tandem catalysis

Carbon nanotubes (CNTs) are important materials for electronics and structural composites, but their production still relies on hydrocarbon-based chemical vapor deposition, an energy-intensive and fossil-dependent process, limited by rapid catalyst deactivation. Using CO2 as a carbon feedstock offers a sustainable route for CNT synthesis, yet direct CO2 conversion to CNTs is thermodynamically unfavorable and existing CO2-to-carbon pathways mainly yield amorphous or weakly graphitized solids. Here, we demonstrate a tandem electrochemical–thermochemical (EC-TC) strategy that overcomes these limitations. CO2 is first electrochemically reduced to a tunable mixture of C2H4 and CO, which is directly fed into a thermochemical reactor and converted into CNTs with controllable morphology and high CNT-to-metal mass ratios (~200) over NiFe catalysts at 750 °C. In situ synchrotron-based characterization and density functional theory calculations reveal that CO dissociation and C2H4 decomposition on NiFe alloys cooperatively promote CNT nucleation and sustained growth. This EC-TC strategy establishes a modular route for converting CO2 into value-added carbon nanomaterials.

03 NATURAL GAS↗