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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Complete Phase Transformation of Ir Nanowire Network into Defect-Rich Oxide Catalyst for High-Performance PEM Water Electrolysis

Iridium-based catalysts remain the most reliable option for the oxygen evolution reaction (OER) in proton exchange membrane water electrolyzers (PEMWEs). However, their high cost and limited performance represent critical barriers to the commercialization of this green hydrogen production technology. Herein, we report the creation of a metallic Ir nanowire network (IrNWN), which exhibits superior OER performance through its in-situ transition into an oxide structure with high intrinsic activity. At a low loading of 0.25 mgIr/cm2 in PEMWEs, IrNWN achieved a current density of 3.13 A/cm2 at a cell voltage of 1.8 V, outperforming the commercial Ir-based catalyst and surpassing the Department of Energy (DOE) 2026 technical target. Moreover, the high activity of IrNWN was maintained for 900 hours in a durability test at 2 A/cm2, showing a low degradation rate of 0.042 mV/hour. Structural analysis of the electrochemically oxidized IrNWN revealed the presence of mixed Ir oxidation states and a high density of surface terminal oxygen groups (μ1-O), which contributed to a reduced energy barrier for the rate-determining O-O coupling step.

oxygen evolution reaction↗
DOE OSTI2026

Microfibril orientation and compositional heterogeneity in fiber and vessel cell walls of poplar xylem studied by AFM-IR and SFG spectroscopy

Understanding the structural organization of cellulose microfibrils (CMFs) within individual plant cell walls is essential for connecting cell wall architecture to its mechanical and physiological functions. However, due to the complex hierarchical structure and nanoscale heterogeneity of cell walls, it remains technically challenging to resolve detailed compositional and orientational information at subcellular levels of individual cell walls. This study investigates the internal 3D structure, chemical composition, and sublayer organization of fiber and vessel cell walls in the xylem tissue of a two-year-old field-grown hybrid poplar tree (Populus alba × P. glandulosa) using photothermal atomic force microscopy coupled with infrared spectroscopy (AFM-IR) and sum frequency generation (SFG) hyperspectral microscopy. AFM-IR provided nanoscale chemical imaging, revealing localized compositional heterogeneity, including variations between adjacent cell walls and transitional layers beyond the traditional S1, S2, and S3 sublayers. SFG microscopy revealed that CMFs in fiber walls are highly aligned along the stem axis, consistent with their role in mechanical support, while vessel cell walls exhibited slightly tilted CMFs, reflecting their function in hydraulic transport. Together, these results offer new insights into cell-type-specific CMF organization and compositional gradients in hybrid poplar xylem. These findings highlight the structural and chemical complexity of secondary cell walls in woody plants and demonstrate the value of AFM-IR and SFG spectroscopy in elucidating plant cell wall architecture.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Nuclear excitation functions for medical isotope production: Targeted radionuclide therapy via nat IR$(d, x)$ 193m Pt

193m Pt is an Auger emitting radionuclide which may have therapeutic potential, particularly when labeled to the chemotherapeutic drug cisplatin. One challenge to broader explorations of its clinical potential is the need for production routes with high specific activity. As part of a larger campaign to address gaps in reaction data for emerging medical radionuclides, this work seeks to characterize the nat Ir(d,x) reactions as a potential production pathway for 193m Pt. A stacked target irradiation, consisting of natural iridium, iron, nickel, and copper foils, was performed using a 33 MeV deuteron beam at the Lawrence Berkeley National Laboratory 88-Inch Cyclotron. This measurement, along with previous experimental data, suggests an energy window between 11 to 18 MeV to maximize the production and radiopurity of 193m Pt. This experiment has yielded cross sections for 43 channels of deuteron-induced reactions from threshold to 30 MeV, including the first experimental results of nat Ir(d,x) 188m1+g,190m1+g Ir (cumulative), nat Ni(d,x) 56,57,58 m,58g Co (independent), nat Cu(d,x) 61 Co (cumulative) and nat Fe(d,x) 53 Fe, 48 V (cumulative). The results were compared with literature data, the TENDL-2023 database, and default theoretical calculations from the TALYS-2.04, CoH-3.6.0, EMPIRE 3.2.3, and ALICE-2020 reaction modeling codes. Here, this work presents another example of the lack of predictive capabilities for this set of modern nuclear-reaction modeling codes, and highlights the unsatisfactory modeling of experimental cross sections. Experimental data are important to improve the codes in general, and new experimental results can be used to improve the models. Finally, this measurement has revealed the need for an updated evaluation of the nat Cu(d,x) 63 Zn deuteron monitor reaction.

193mPt↗
DOE OSTI2024

X-ray spectroscopic investigation of crystal fields in Ce 2 Rh 1 − x Ir x In 8 heavy fermions

The higher dimensionality in the crystal fields of the Ce 2 M In 8 ( M = Rh , Ir ) compounds and its interplay with hybridization and disorder are key ingredients to understand the complex phase diagrams by this family, which have been explored extensively by macroscopic techniques. Here, we present an investigation of the crystal-electric field schemes of Ce 2 Rh 1 − x Ir x In 8 using x-ray absorption spectroscopy. Our full multiplet calculations for the 4 f 1 configuration of Ce 3 + to describe the temperature-dependent linear dichroism in Ce 2 M In 8 are consistent with a Γ 7 1 = 1 − α 2 · | ∓ 3 2 〉 − | α | · | ± 5 2 〉 ground state containing a predominant | ± 3 / 2 〉 contribution that increases further with x . This enhancement is believed to favor superconductivity in Ce-based heavy fermion materials, observed in previous results in the Ce M In 5 family. Our recent observations shed light on the unexpected emergence of the ambient-pressure superconducting dome in the center of the composition phase diagram and its subsequent suppression on the Ir-rich side due to the early onset of fluctuations associated with the structurally more disordered state, inferred from previous neutron magnetic diffraction experiments. Published by the American Physical Society 2024

Christovam, D. S. (ORCID:0000000250698107)↗
DOE OSTI2024

Anomalous proximitized transport in metal/quantum magnet heterostructure Bi 2 Ir 2 O 7 /Yb 2 Ti 2 O 7

Fluctuations of quantum spins play a crucial role in the emergence of exotic magnetic phases and excitations. The lack of the charge degree of freedom in insulating quantum magnets, however, precludes such fluctuations from mediating electronic transport. Here, we show that the quantum fluctuations of a localized frustrated magnet induce strong proximitized charge transport of the conduction electrons in a synthetic heterostructure comprising an epitaxial Bi 2 Ir 2 O 7 ultrathin film on a single crystal of Yb 2 Ti 2 O 7 . The proximity effects are evidenced by the scaling behavior of the Bi 2 Ir 2 O 7 resistance in correspondence with the dynamic scaling of the dynamic spincorrelation function of Yb 2 Ti 2 O 7 , which is a result of quantum fluctuations near a multiphase quantum critical point. The proximitized transport in Bi 2 Ir 2 O 7 can be effectively tuned by a magnetic field through suppressing the quantum spin fluctuations (QSFs) as well as inducing transitions via magnetic anisotropy in Yb 2 Ti 2 O 7 . In this study, we establish a pathway for harnessing QSFs in magnetic insulators with electric transport, offering exciting prospects for potential applications in the realm of quantum spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Measurement of 𝐷-line energies in sodiumlike Ir

We report measurements of the 𝐷 1 and 𝐷 2 transition energies in Na-like Ir (Ir 66+ ). The 𝐷 1 3⁢𝑠−3⁢𝑝 1/2 transition energy, measured in the extreme ultraviolet (EUV) region at 169.977 ± 0.005 eV with a relative uncertainty of 29 ppm, represents one of the most precise 𝐷-line energy measurements to date for high atomic numbers 𝑍 ≥ 30. The 𝐷 2 3⁢𝑠−3⁢𝑝 3/2 transition energy, measured in the x-ray region, is 621.11 ± 0.06 eV. Therefore, there is a fine-structure separation of 451.13 ± 0.06 eV for the Na-like Ir 3⁢𝑝 levels. We present theoretical calculations of these energies using quantum electrodynamic-extended relativistic many-body perturbation theory and multiple-configuration Dirac-Hartree-Fock methods, and discuss the discrepancies between experimental and theoretical values. The prospect of determining the absolute nuclear charge radii of heavy elements, including rare isotopes, from these measurements is explored.

Atomic spectra↗
DOE OSTI2026

Ir–Ru Particles Enable Low-Loading Acidic Oxygen Evolution for Integrated Solar Devices

Integrated photoelectrochemical (PEC) devices for water splitting represent a compelling pathway for sustainable hydrogen production, directly converting solar energy into chemical fuels. While alkaline systems have achieved state-of-the-art solar-to-hydrogen (STH) efficiencies above 20% using earth-abundant catalysts, acidic PEC architectures provide unique advantages for compact device integration, fast proton transport, and stable operation under highly dynamic solar conditions. Proton-exchange membrane (PEM)-based configurations enable high current densities, low gas crossover, and rapid ionic response, making them especially well-suited for intermittent, bias-free PEC operation, despite alkaline electrolysis being more technologically mature. A critical limitation of acidic PEC systems remains, the oxygen evolution reaction (OER), which currently relies on scarce and costly iridium catalysts, restricting scalability. Here, in this study, we report a series of low-iridium mixed-metal oxide catalysts synthesized via a surfactant-assisted borohydride reduction method. An optimized Ir 0.5 Ru 0.5 O x catalyst exhibits exceptional intrinsic activity (>400 A g –1 Ir at 1.55 V vs RHE) in 0.1 M HClO 4 and maintains stable operation for over 10 days in an integrated PEC flow-cell. Sustained hydrogen production is achieved at 1.65 V with a total iridium loading of only 0.1 mg cm –2 , substantially below commercial PEM benchmarks. These results demonstrate a viable pathway toward scalable, high-performance acidic PEC hydrogen technologies.

Acidic electrolysis↗
DOE OSTI2025

Interstitial Atoms and the Frustrated and Allowed Structural Transitions Principle: Tunability in the Electronic Structure of AuCu 3 ‐type Frameworks in Dy 4 T 1− x Ga 12 (T = Ag, Ir)

In this Article, we explore how the chemical pressure (CP) features of an intermetallic phase may provide opportunities to couple perturbations in electron count with the stabilization of the underlying geometrical structure. AuCu 3 ‐type LnGa 3 (Ln = lanthanide or group 3 metal) phases contain octahedral cavities of negative CP held open by overly compressed Ln–Ga interactions, leading to a series of transition metal‐stuffed derivatives. We present new additions to this family with the synthesis and crystal structures of Dy 4 T 1−x Ga 12 with (T, x) = (Ag, 0.29) and (Ir, 0.15), adopting Y 4 PdGa 12 ‐type superstructures of the AuCu 3 ‐type. density functional Ttheory (DFT)‐CP calculations, when adjusted to avoid dipolar CP features, affirm that T atom incorporation provides a mechanism for the relief of packing tensions, while electronic density of states distributions illustrate that the T atoms serve largely as electron or hole donors to the band structure, as needed for them to attain d 10 configurations. The maximum obtainable value for x may be limited by a mismatch between the Fermi energy and pseudogap, in line with the balance of factors envisioned by the frustrated and allowed structural transitions principle. Furthermore, trends in resistivity measurements on T = Ir, Pd, and Ag compounds are interpretable in terms of the varying degrees of disorder arising from x < 1.0.

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

Quantum fisher information reveals UV-IR mixing in the strange metal

The density-density response in optimally doped Bi 2 Sr 2 CaCu 2 O 8+$x$ has recently been shown to exhibit conformal symmetry. Using, the experimentally inferred conformal dynamic susceptibility, we compute the resultant quantum Fisher information (QFI), a witness to multi-partite entanglement. For a Fermi liquid, we find that the QFI grows quadratically as the temperature increases, consistent then with the phase space available for scattering in the standard theory of metals. By contrast, the QFI in a strange metal increases as a power law at as the temperature decreases, but ultimately extrapolates to a constant at T=0. The constant is of the form, ω$^{2Δ}_g$, where Δ is the conformal dimension and ω g is the UV cutoff which is on the order of the pseudogap. As this constant depends on both UV and IR properties, it illustrates that multipartite entanglement in a strange metal exhibits UV-IR mixing, a benchmark feature of doped Mott insulators as exemplified by dynamical spectral weight transfer. We conclude with a discussion of the implication of our results for low-energy reductions of the Hubbard model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Isolating solvent–solute hydrogen bonding interactions via 2D IR solvation shell spectroscopy

The solvation shell around a solute is a fundamental feature of liquid-phase solutions, determining the behavior and properties of both the solute and the overall solution. Direct experimental measurements of the solvation shell properties are challenging due to the strong signals generated from the bulk solvent, which overwhelm the small contribution of the solvation shell. Here, we use ultrafast two dimensional infrared (2D IR) spectroscopy and intermolecular cross-peaks to isolate the IR absorption spectrum of methanol molecules in the solvation shell surrounding the solute N-methylacetamide. We demonstrate that the intermolecular coupling between the solvent and solute vibrations is indirectly mediated by a low-frequency hydrogen-bonding mode, suggesting an important mechanism for anharmonic coupling induced by hydrogen bonds. From the relative frequency shifts and cross-peak anisotropy, we find that methanol molecules surrounding N-methylacetamide form stronger and distinctly oriented hydrogen bonds than those in the bulk solvent. Here, we also compare these results with the solvent spectra of the solute N,N-dimethylacetamide to investigate how solute structural changes alter the solvation shell and the contribution of N–H hydrogen bond donation. Our results are supported by molecular dynamics simulations, which provide detailed insights into the hydrogen-bonding distributions. Through these results, we demonstrate 2D solvation shell spectroscopy to be a valuable method for investigating solvation structures and dynamics without interference from the bulk solvent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Phonon excitations in Eu 2 Ir 2 O 7 probed by inelastic x-ray scattering

The study of phonon dynamics and its interplay with magnetic ordering is crucial for understanding the unique quantum phases in the pyrochlore iridates. Here, through inelastic x-ray scattering on a single crystal sample of the pyrochlore iridate Eu 2 Ir 2 O 7 , we map out the phonon excitation spectra in Eu 2 Ir 2 O 7 and compare them with the theoretical phonon spectra calculated using the density functional theory. Further, possible phonon renormalization across the magnetic long-range order transition is observed in our experiments, which is consistent with the results of the previous Raman scattering experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Persistent short-range spin fluctuation in rare-earth substituted square lattice Sr 2 ⁢Ir 0.89 ⁢Tb 0.11⁢ O 4

Sr 2 ⁢IrO 4 , a prototypical 𝐽 eff = 1/2 square lattice system, is widely studied for novel physics. While transition metal substitution effects are well explored, rare-earth doping at the Ir 4+ site is less explored. Here we present a detailed magnetization and neutron diffraction study on Sr 2 ⁢Ir 1−𝑥 ⁢Tb 𝑥 ⁢O 4 (𝑥 = 0.11). The system tends to adopt an in-plane antiferromagnetic configuration with a “++++” stacking sequence. Strong spin fluctuations persist down to the lowest measured temperature, consistent with the concave shape order parameter. A pronounced magnetic diffuse scattering rod develops along the 𝐿 direction at low temperature, indicating the formation of short-range magnetic correlations with a characteristic length of ∼ 24⁢(2) ⁢Å. In conclusion, this work provides a new pathway to exotic quantum phases in the strongly spin-orbit-coupled iridates.

Iridates↗
DOE OSTI2025

Understanding the optoelectronic properties of doped 2D organic-inorganic halide perovskite quantum wells: towards efficient quantum well IR photodetectors

Metal halide perovskite (MHP) multiple quantum wells which consist of multilayers of alternate organic and inorganic layers exhibit large exciton binding energies due to the dielectric confinement between the inorganic and organic layers. These naturally formed multiple quantum wells have strong spin-orbit coupling (SOC) due to the presence of heavy elements in their crystal structures. Although the fundamental properties of 2D MHPs are far from being entirely understood, it is widely accepted that their band edge absorption coefficient results from strong exciton interactions. However, studies demonstrating how different exciton interactions and doping effects influence electronic traps and disorder on the band edge absorption coefficient of 2D MHPs have not been demonstrated. Understanding these interactions in MHPs will allow us to access low energy optical transitions for the fabrication of solution processable short-to-mid-wavelength IR photodetectors (1 – 8 μm). Moreover, upon doping, it is possible to move the Fermi energy into the conduction band (CB) to favorably promote the transport of charges in a working device. Herein, we study the development of 2D MHPs having strong SOC, high carrier mobility, and tunable quantum well structures. Our studies shed light on the design and modulation of fundamental physical phenomena by carefully elucidating the role of dopants (n-type and p-type), exciton heterogeneity, orientation, structure, and bias stress effects on the performance of MHPs as potential IR photodetectors.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Understanding the optoelectronic properties of doped 2D organic-inorganic halide perovskite quantum wells: towards efficient ultrafast quantum well IR photodetectors

This project, titled “Understanding the optoelectronic properties of doped 2D organic-inorganic halide perovskite quantum wells: towards efficient quantum well IR photodetectors”, was funded by the U.S. Department of Energy to explore a new class of materials that could make future light-sensing technologies, such as infrared (IR) cameras and detectors more efficient, affordable, and widely available. The research focused on special layered materials called 2D halide perovskites, which are made up of alternating organic and inorganic layers only a few atoms thick. These materials can be tuned at the atomic level to absorb and emit light in precise ways, making them very attractive for use in optoelectronic devices. The main goal of the project was to understand how these perovskite materials absorb light and move electrical charges at very small scales. However, this is not an easy task. These materials often contain a mixture of different structures in the same film, and traditional tools like regular absorption or photoluminescence spectroscopy are not good at telling those structures apart. To solve this, the research team, led by Professor Luisa Whittaker-Brooks at the University of Utah developed a powerful method called electroabsorption spectroscopy. This technique uses electric fields to highlight the unique “fingerprints” of different excitons, which are tiny packets of energy formed when light hits the material. By using this method, the team could separate overlapping signals and learn exactly how the materials respond to light under different conditions, including changes in temperature, thickness, and chemical makeup.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Autonomous Infrared and Small (Wide) Angle X-Ray Scattering (IR-S(W)AXS) Capability

Thin water films are 2-D, nanoconfined layers that form on solid surfaces exposed to humid atmospheres—environments ubiquitous across catalysis, corrosion science, soil science, and subsurface geochemistry. At relative humidity (RH) values below saturation, these films are Å–nm thick and exhibit properties that differ sharply from bulk water, including disrupted H-bonding and impeded mass transport. Owing to their high surface-to-volume ratio, dissolution of the solid can rapidly drive strong supersaturation with respect to secondary phases. Reactivity in thin water films is highly sensitive to film thickness, and critically, thickness evolves during reaction because the hygroscopicity of the interfacial system changes as ions accumulate or diminish in the film and as reaction products transform. To accurately probe and control these dynamics, a capability is needed that can measure and automatically maintain a constant water-film thickness while simultaneously monitoring solid dissolution, nucleation, and growth. This project developed an autonomous Infrared/Small Angle X-ray Scattering-Wide Angle X-ray Scattering (IR/(W)SAXS) for investigating reactivity in thin water films on solid surfaces exposed to humidified gases. The capability consists of an IR spectrometer, a (W)SAXS instrument, and a mass flow controller system for generating variably humidified gas flows to a custom reaction cell. Progress on each of the major components of the capability are detailed below.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

SABRE Ir-IMes Catalysis for the Masses

The Signal Amplification By Reversible Exchange (SABRE) technique provides enhancement of Nuclear Magnetic Resonance (NMR) signals up to several orders of magnitude using chemical exchange of a substrate and parahydrogen on an iridium complex. Therefore, the availability of such a catalytic complex to a broader community is an absolutely vital step for dissemination of the groundbreaking SABRE methodology. The most common SABRE catalyst, which is activated in situ, is based on Ir-IMes system (IMes = 1,3-Bis(2,4,6-trimethylphenyl)imidazol-2-ylidene). Earlier approaches for the synthesis of this catalyst often relied on specialized equipment and were limited to a comparatively small scale. This, in turn, increased the barrier of entry for new scientists to the area of SABRE hyperpolarization. Here, we present a robust, inexpensive, and easy to reproduce synthetic procedure for the preparation of this SABRE catalyst, which does not require specialized inert atmosphere equipment like a glove box or Schlenk line. The synthesis was validated on the scale of several grams vs. tens of milligrams scale in the reported approaches. The resulting SABRE catalyst, [Ir(IMes)(COD)Cl], was activated in situ and further evaluated in hyperpolarization experiments resulting in signal enhancements comparable to (or higher than) those for the catalyst prepared using Schlenk line equipment.

Biochemistry & Molecular Biology↗
DOE OSTI2024

Laterally Modulating Carrier Concentration by Ion Irradiation in CdO Thin Films for Mid‐IR Plasmonics

This report demonstrates tunable carrier densities in CdO thin films through local ion irradiation, providing lateral control of mid‐IR optical properties. Ion‐solid interactions produce donor‐like defects that boost electron concentrations from the practical minimum of 2.5 × 10 19 cm −3 to a maximum of 2.5 × 10 20 cm −3 by metered ion exposure. This range is achieved using He, N, Ar, or Au ions at 1–2.8 MeV; when normalized by displacements per atom, all ion species produce comparable results. Since CdO is well‐described by the Drude model, irradiation‐tuned carrier densities directly alter the infrared dielectric function, and in turn, mid‐infrared optical properties. Further, it is demonstrated that by combining irradiation with traditional lithography, CdO films expose to ions in the presence of 3‐µm thick, patterned photoresist exhibit lateral carrier density profiles with ≈400‐nm resolution. Scanning near‐field optical microscopy reveals sharp optical interfaces with almost no companion contrast in surface morphology, microstructure, or crystallinity. Finally, CdO lateral homostructures supporting surface plasmon polaritons (SPPs) are demonstrated whose dispersion relation can be tuned through periodic patterning in a monolithic platform by simple nanofabrication. Numerical simulations show these polaritons result from strong coupling between excitations at CdO plasma frequencies and SPPs supported by the platinum substrate.

cadmium oxide↗
DOE OSTI2025

Surface intermediates identified using IR spectroscopy during the catalytic oxidation of C 2 H 6 on IrO 2 (1 1 0) at near-ambient pressures

Characterizing surface intermediates during catalysis is essential for developing mechanistic models of catalytic reactions and for identifying rate-controlling steps. Here, in this work, we used polarization-dependent reflection absorption infrared spectroscopy (PD-RAIRS) to investigate surface intermediates that form on IrO 2 (1 1 0) during the catalytic oxidation of C 2 H 6 at pressures near 0.5 Torr. Our results show that adsorbed CO and HCO 2 are the only intermediates detectable with PD-RAIRS across a wide range of temperatures and reactant compositions during complete C 2 H 6 oxidation, giving rise to dominant peaks at about 2093 and 1310 cm −1 , respectively. These assignments were corroborated by RAIRS measurements following CO and HCOOH adsorption in ultrahigh vacuum, RAIRS with C 2 H 6 – 18 O 2 mixtures during catalysis and vibrational frequencies and IR intensities computed using density functional theory. We find that increasing the C 2 H 6 mole fraction in the reaction mixture raises the CO surface coverage relative to HCO 2 , correlating with increasing catalytic oxidation rates. The formation of CO and HCO 2 surface species at temperatures well below catalytic ignition indicates that the overall rate of C 2 H 6 oxidation on IrO 2 (1 1 0) is governed by steps late in the reaction sequence, such as H 2 O formation, CO oxidation and HCO 2 dehydrogenation. These findings provide key insight into the mechanism of alkane oxidation on IrO 2 (1 1 0) and valuable input for first-principles microkinetic modeling.

Pope, Connor [Univ. of Florida, Gainesville, FL (U↗