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321 records · Page 12

Mechanism of H 2 plasma-enabled reduction of hematite thin films

Hydrogen plasma is gaining significant interest as a promising pathway for direct iron ore reduction and for lowering process temperatures but the reduction mechanism remains poorly understood. In this work we analyzed the plasma and thermal reduction of thin-film hematite (Fe 2 O 3 ) at temperatures below 340 °C using X-ray diffraction and scanning electron microscopy with energy-dispersive X-ray spectroscopy. Plasma reduced the incubation period by an order of magnitude and increased the reduction rate by a factor of 2.6 compared to thermal reduction. Plasma-produced H-atoms facilitate the formation of numerous iron nucleation sites, bypassing the energetically unfavorable dissociative adsorption of H 2 on iron oxide. These iron nuclei can autocatalyze the reduction of the surrounding hematite via a hydrogen spillover mechanism. Our results demonstrate that plasma-derived H-atoms primarily impact the initial nucleation-limited stage. These new insights provide a mechanistic framework that can aid the implementation and optimization of hydrogen plasma-assisted iron oxide reduction at reduced temperatures.

08 HYDROGEN

Specific Bacterial Taxa and Their Metabolite, DHPS, May Be Linked to Gut Dyshomeostasis in Patients with Alzheimer’s Disease, Parkinson’s Disease, and Amyotrophic Lateral Sclerosis

Background: Neurodegenerative diseases (NDDs) are multifactorial disorders frequently associated with gut dysbiosis, oxidative stress, and inflammation; however, the pathophysiological mechanisms remain poorly understood. Methods: Using untargeted mass spectrometry-based metabolomics and 16S sequencing of human stool, we investigated bacterial and metabolic dyshomeostasis in the gut microbiome associated with early disease stages across three NDDs—amyotrophic lateral sclerosis (ALS), Alzheimer’s disease (AD), Parkinson’s disease (PD)—and healthy controls (HC). Results: We discovered a previously unrecognized link between a microbial-derived metabolite with an unknown role in human physiology, 2,3-dihydroxypropane-1-sulfonate (DHPS), and gut dysbiosis in NDDs. DHPS was downregulated in AD, ALS, and PD, while bacteria involved in DHPS metabolism, Eubacterium and Desulfovibrio, were increased in all disease cohorts. Additionally, select taxa within the Clostridia class had strong negative correlations to DHPS, suggesting a potential role in DHPS metabolism. A catabolic product of DHPS is hydrogen sulfide, and when in excess, it is known to promote inflammation, oxidative stress, mitochondrial damage, and gut dysbiosis, known hallmarks of NDDs. Conclusions: These findings suggest that cryptic sulfur metabolism via DHPS is a potential missing link in our current understanding of gut dysbiosis associated with NDD onset and progression. As this was a hypothesis generating study, more work is needed to elucidate the role of DHPS in gut dysbiosis and neurodegenerative diseases.

Nutrition & Dietetics

Direct Observation of Vortex Liquid Droplets in the Iron Pnictide Superconductor CaKFe 4 As 4 at 0.5T c

Type-II superconductors under magnetic fields remain in a quantum-coherent, non-dissipative state as long as vortices are pinned. Dissipation emerges when vortices depin, a process often driven by thermal fluctuations and commonly associated with a melting transition from a vortex solid to a vortex liquid. Macroscopic experiments almost always observe this transition close to the superconducting critical temperature 𝑇 𝑐 . However, how the vortex solid responds to thermal fluctuations at the scale of individual vortices, far below the melting transition, remains largely unexplored. Here, we use scanning tunneling microscopy (STM) to directly visualize vortices in the iron-based superconductor CaKFe 4 ⁢As 4 (𝑇 𝑐 ≈35 K ). We observe the formation of vortex liquid droplets—spatially localized regions where vortices exhibit strong thermal fluctuations—at temperatures as low as 0.5 𝑇 𝑐 . These results demonstrate that the onset of dissipation at the local scale occurs at temperatures significantly below 𝑇𝑐 in type-II superconductors, revealing a previously unrecognized regime of vortex dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND

Reduction of baseplate distortion during directed energy deposition using compliant features

Distortion in additive manufacturing (AM) remains a barrier to its adoption in precision industries. Baseplate warpage is one such issue which compromises the feasibility of post-process precision machining. The restriction to thermal contraction of the deposited part, imposed by the baseplate, generates bending moments, that in turn causes warpage. A novel distortion mitigation strategy using baseplates with integrated compliant features, which enables thermal contraction of the build is presented. Six unique design concepts are evaluated, including a solid reference, using two deposition geometries. A laser, hot-wire, directed energy deposition (DED) process is used to deposit a symmetric cylindrical part (C-part) and a T-shaped asymmetric part (T-part). Flatness deviation of baseplates is measured using structured light 3D scanning. Measurements reveal a reduction in net flatness deviation of 58.8% for the C-part and 40.9% for the T-part, compared to the solid reference. While most designs yielded reductions exceeding 30% and 20% for the C- and T-parts, respectively, one configuration resulted in increased deviation. Finite element (FE) simulations are performed to elucidate the underlying mechanisms affecting distortion of compliant baseplates during DED. Despite variations between predictions and measurements, agreement in the general trend is observed. It also revealed that initial flatness errors in baseplates significantly affect its deviation during deposition. Predictions indicate that compliant features significantly affect the thermal distribution as well as the evolution of flatness deviation in the baseplate during deposition. Notably, one design exhibited a reduction in distortion during cooling, following its initial increase during deposition. FE predictions show a maximum reduction of 60.9% and 38.8% in net flatness deviation for the C- and T-parts, respectively. The performance of compliant baseplates is found to be governed by both its the thermal and mechanical characteristics, which are crucial factors to be considered during design.

Mathews, Ritin [ORNL] (ORCID:0000000301440828)

Microstructure-dependent particulate populations in ODS steels revealed by single-particle ICP-TOF-MS

In this work, we evaluated the ability of single-particle inductively coupled plasma time-of-flight mass spectrometry (SP-ICP-TOF-MS) to characterize particulates generated from 300 series stainless steels and oxide dispersion–strengthened (ODS) steels. Particulates were produced using two different rotary tools (cutting disk and grinding bit) to assess the influence of particle generation on effluent particulates. Across all materials and preparation techniques, SP-ICP-TOF-MS detected a substantial population of particles containing the expected constituent elements, with average compositions closely matching the nominal alloy values. A secondary population of Y-bearing particles was evident in ODS steels; their formation is strongly favored in particulates generated using the grinding bit. Specifically, in PM2000, Y-bearing particles were predominantly colocated with Al, whereas in 14YWT, Y-bearing particles were less frequently Fe-free but showed stronger colocation with Ti. These trends are consistent with the known microstructural differences between Y–Al–O oxide particles in PM2000 and finer Y–Ti–O nanoclusters in 14YWT. Together, these results demonstrate that SP-ICP-TOF-MS can resolve distinct particulate populations in complex, multicomponent steels at the femtogram mass scale, enabling particle-resolved insight into microstructure-driven phase separation and preparation-dependent particle generation.

Brubaker, Zach E. [Oak Ridge National Laboratory (

REDOTHERM (Redox Countercurrent Thermodynamic Limits Model) [SWR-24-88]

REDOTHERM is an open-source, MATLAB-based thermodynamic modeling framework developed to evaluate the performance of redox-active materials for water (H2O) and carbon dioxide (CO2) splitting. It includes models of all major unit operations and supports comparative analysis of different redox-active material candidates. The model is tailored for systems of moving oxide under a parallel/cocurrent flow (PF) and countercurrent flow (CF) configurations. Unvalidated mixed flow reactor (MFR, also known as CSTR) model is also included as an optional addition.

Lidor, Alon [National Renewable Energy Laboratory

NOx mediated formation of ε – UO 3 during thermal decomposition of uranyl nitrate hexahydrate under static air conditions

The thermal decomposition of uranyl nitrate hexahydrate in air at temperatures of 650 – 800 °C is expected to yield α – U 3 O 8 through intermediate UO 3 phases. Here, n this study, Raman spectroscopy complimented by powder X-ray diffraction revealed the unexpected formation of ε – UO 3 as an accompanying phase during thermal decomposition of UNH at 700 °C under static air conditions. Experiments demonstrated that ε – UO 3 does not form during the initial ramp up stage nor during the high temperature heating period; but instead forms during the cooling stage between 250 – 400 °C. Additional experiments revealed that UNH initially decomposes through an amorphous UO 3 intermediate prior to α – U 3 O 8 formation. Attempts to bypass the U 3 O 8 precursor in the formation of ε – UO 3 were unsuccessful, supporting the necessity of U 3 O 8 (α – U 3 O 8 in this study) in the formation of ε – UO 3 . The observed phase evolution is proposed to result from the NOx species generated during UNH thermal decomposition, which create localized oxidizing conditions within the furnace under static air conditions. Furthermore, a predominantly phase pure ε – UO 3 was synthesized under static air conditions through the addition of an extra plateau at 250 °C during the cooling step. These findings demonstrate the importance of gas-phase chemistry and cooling conditions in uranium oxide phase evolution and provide additional insight into ε – UO 3 formation pathways.

Epsilon uranium trioxide

FY26 Progress on Demonstration of a Multiphysics Steady State Capability for Modeling Core Radial Expansion in SFRs

Under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism in liquid metal-cooled fast reactors and involves multiphysics effects including radiation transport, fluid flow, heat transfer, and mechanical response to temperature and flux gradients. This report summarizes recent progress on developing a multiphysics, MOOSE-based workflow to predict core bowing and associated reactivity feedback. Significant new capabilities in the reactor physics code Griffin - sodium backfill and pin power reconstruction for deformed geometries - were applied in this effort. This year’s work included verification, code comparisons, sensitivity studies, and coupled demonstrations that advance the state of MOOSE-based core bowing workflow. Griffin’s sodium backfill capability was verified by demonstrating that its automated treatment of geometry expansion and material-density updates reproduces manual calculations exactly, confirming solid mass conservation and proper coolant backfilling in expanded geometries. Reconstructed pin powers were compared for Griffin’s ductheterogeneous and ring-heterogeneous treatments in single-, seven-, and nineteen-assembly cases, with best agreement observed in lower-leakage configurations and the duct-heterogeneous approach offering substantially lower computational cost. Thermal-hydraulic sensitivity sensitivities showed that MOOSE SCM, SAM, and CFD are expected to produce similar deformation predictions despite variances in their temperature predictions, and that explicit treatment of inter-assembly flow becomes increasingly important as gap flow rate increases. Finally, coupled demonstrations on small multi-assembly configurations using Griffin, MOOSE Solid Mechanics, MOOSE SCM, and Heat Conduction produced physically consistent reactivity feedback from thermal expansion and bowing. The coupled demonstrations simulated grid plate expansion as well as resultant core bowing at full power conditions. Simplifications were made in current workflow, namely the assumption of instantaneous full power conditions following hot zero power, and pre-expanding the Griffin geometry axially due to lack of an axial fuel pin expansion model and temperature feedback to Griffin.

Wozniak, Nicholas

Acute Exposure to Aerosolized Nanoplastics Modulates Redox-Linked Immune Responses in Human Airway Epithelium

Micro- and nanoplastics (MPs and NPs) are pervasive environmental pollutants detected in aquatic ecosystems, with emerging evidence suggesting their presence in airborne particles generated by water body motion. Inhalation exposure to airborne MPs and NPs remains understudied despite documented links between occupational exposure to these particles and adverse respiratory outcomes, including airway inflammation, oxidative stress, and chronic respiratory diseases. This study explored the effects of acute NP exposure on a fully differentiated 3D human airway epithelial model derived from 14 healthy donors. Airway epithelium was exposed to aerosolized 50 nm polystyrene NPs at concentrations ranging from 2.5 to 2500 µg/mL for three minutes per day over three days. Functional assays revealed no significant alterations in tissue integrity, cell survival, mucociliary clearance, or cilia beat frequency, suggesting intact epithelial function post-exposure. However, cytokine and chemokine profiling identified a significant five-fold increase in CCL3 (MIP-1α), a neutrophilic chemoattractant, in NP-exposed samples compared to controls. This was corroborated by increased neutrophil chemotaxis in response to conditioned media from NP-exposed tissues, indicating a pro-inflammatory neutrophilic response. Conversely, levels of interleukins (IL-21, IL-2, IL-15), CXCL10, and TGF-β were significantly reduced, suggesting immunomodulatory effects that may impair adaptive immune responses and tissue repair mechanisms. These findings demonstrate that short-term exposure to NP-containing aerosols induces a distinct pro-inflammatory response in airway epithelium, characterized by enhanced neutrophil recruitment and reduced secretion of key immune modulators. These findings underscore the potential for aerosolized NPs to induce oxidative and inflammatory stress, raising concerns about their long-term impact on respiratory health and redox regulation.

Biochemistry & Molecular Biology

UCB-GLOBES: An open-access mass spectral database of identified and unidentified atmospheric organic compounds

Chemical characterization of atmospheric organic aerosols using gas chromatography with 70 eV electron ionization mass spectrometry (GC/EI-MS) has been used for decades in advancing molecular marker detection and identification, though primarily through suspect screening and/or targeted analyses. To advance non-targeted analyses of environmental samples, we have catalogued approximately 27 000 mass spectra (MS) of the trimethylsilyl derivatives of semi-volatile organic aerosol (OA) analytes in the open-access University of California Berkeley Goldstein Library of Organic Biogenic Environmental Spectra (UCB-GLOBES). Analytes were observed in ambient samples from the U.S. and the Central Amazon and/or laboratory simulations of secondary OA (SOA) formation. These samples are representative of OA under urban and biomass burning influences as well as SOA derived from biogenic precursors (e.g., isoprene, monoterpenes, sesquiterpenes) and biomass burning intermediates. MS are documented in UCB-GLOBES without regard to known chemical identity, annotated with extensive metadata such as sample source/experimental conditions, any structural information gained from MS analyses, and predicted chemical properties such as average carbon oxidation state and carbon number. UCB-GLOBES MS are compatible for importing into the NIST MS Search program, and we have also provided a Jupyter Notebook for MS visualization and comparisons. We demonstrate the utility of UCB-GLOBES through MS reanalyses of prior analytes observed in ambient data, finding a 20 % reduction in the number of analytes assigned to OA source categories reliant solely on time series correlation and an overall 11 % increase in new MS-based OA source categorization for the Southeast U.S. For 1513 analytes observed previously in the Central Amazon, we found 375 MS matches using UCB-GLOBES vs. 136 MS matches during prior analyses, representing a 14 % gain in newly confirmed or newly categorized OA species. While OA from laboratory oxidation experiments in UCB-GLOBES are highly diverse chemically, on average only 29 % of UCB-GLOBES MS have a mass spectral match to another MS entry in UCB-GLOBES and/or in databases of known compounds (i.e. NIST MS Database, Adams Essential Oil, MANE Flavor and Fragrance Company). This indicates that roughly 70 % of UCB-GLOBES MS are unique thus far, not observed more than once among the laboratory oxidation samples and ambient data in UCB-GLOBES MS. Further, only 18 % can be positively identified using these databases or known authentic standards. This points to a large gap between these laboratory simulations and ambient OA. Overall, the UCB-GLOBES database can be utilized for improving confidence in OA source categorization and/or identification, novel chemical marker discovery, tracking chemical diversity, de novo structure and properties prediction, and improving MS search and matching algorithms. This can ultimately inform future research priorities for the chemical characterization of atmospheric organic samples.

Mass spectrometry

Relithiation process for direct regeneration of cathode materials from spent lithium-ion batteries

A method for the regeneration of cathode material from spent lithium-ion batteries is provided. The method includes dissolving a lithium precursor in a polyhydric alcohol to form a solution. Degraded cathode material containing lithium metal oxides are dispersed into the solution under mechanical stirring, forming a mixture. The mixture is heat treated within a reactor vessel or microwave oven. During this heat treatment, lithium is intercalated into the degraded cathode material. The relithiated electrode material is collected by filtration, washing with solvents, and drying. The relithiated electrode material is then ground with a lithium precursor and thermally treated at a relatively low temperature for a predetermined time period to obtain regenerated cathode material.

Belharouak, Ilias

Electrically Accelerated Mechanochemical Film Formation by a Phosphonium Phosphate Ionic Liquid: An In Situ Chemical Kinetics Investigation

Powertrains in electric vehicles are exposed to stray currents that accelerate wear and cause failure of mechanical components. These durability issues are further aggravated when using low-viscosity lubricants, which are desired for energy efficiency but create harsher contact conditions at sliding interfaces. This study investigates a phosphonium phosphate ionic liquid as a performance-enhancing additive in a low-viscosity base oil for lubricating electrified sliding interfaces. Ionic liquids can adsorb and react on contact interfaces via stress-assisted chemical reactions, generating nanometric tribofilms that provide protection against wear. However, the effect of electric fields on the mechanochemistry of ionic liquids is poorly understood, hindering their adoption in lubricants for electrified powertrains. This article reports an in situ optical interferometry study of ionic liquid derived tribofilm growth kinetics at stressed sliding/rolling interfaces under direct currents. The application of electric currents accelerated tribofilm formation up to a critical current density (∼1.4 A/mm 2 ), beyond which pitting-induced wear dominated. The tribofilms were composed of iron phosphates, iron oxides, and carbon species, with iron oxides becoming predominant under applied currents. These tribofilms prevented the scuffing failure of steel surfaces under electrified conditions. Based on the results, a kinetic model is proposed that integrates electric current effect into the classical stress-assisted thermal activation framework to allow prediction of tribofilm growth at electrified sliding contacts. This framework provides crucial guidance for designing next-generation lubricants for electrified transportation and power generation systems.

additives

Adsorption, charge transfer and a coverage-driven transition of alkali metals on rutile TiO 2 (110)

The interaction of alkali metals with metal oxide surfaces is central to tuning surface reactivity in heterogeneous catalysis and photocatalysis. Here we present a comprehensive DFT+U study of the adsorption of alkali metals (Li, Na, K, Rb, Cs) on the (110) surface of rutile TiO 2 . At low coverage (θ = 1/8), all alkali metals bind preferentially to bridging oxygen sites with adsorption energies in the range −4.06 to −3.33 eV, transferring nearly one full electron (0.92–0.99 |e|) to the substrate and inducing Ti 4+ → Ti 3+ reduction. The excess charge localizes preferentially at subsurface Ti sites in the form of small polarons. Diffusion barriers indicate facile motion along bridging-oxygen rows, whereas inter-row hopping is strongly hindered. Coverage effects were examined systematically for potassium: adsorption energy and charge transfer per K atom decrease monotonically with increasing θ. Strikingly, a sharp energy discontinuity occurs between θ = 4/8 and θ = 5/8 (ΔE ≈ 1 eV per atom), which we identify as a coverage-driven structural transition arising from steric packing constraints and enhanced K–K electrostatic repulsion once every (1×1) surface cell is occupied. This structural transition perfectly correlates with a dramatic drop in the work function down to an ultra-low minimum of 0.84 eV at θ=5/8, followed by a metallization- driven recovery at higher coverages. Ab initio molecular dynamics simulations confirm zigzag K arrangements at moderate coverage (θ = 1/3), while at high coverage (θ = 2/3) short-range K–K correlations emerge without long-range order. These results provide atomistic insight into the structure–activity relationships underlying alkali promotion effects on oxide-supported catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

230Th/234U radiochronometry for uranium materials by alpha spectrometry for nuclear forensics analysis

We have developed an alpha spectrometry method for 230Th/234U radiochronometry to determine the model separation age for uranium materials. This method offers an alternative to the more commonly used, but significantly more resource intensive multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) while providing similar accuracy and precision. The development included radiochemical separation of uranium and thorium, calibration of the 232U tracer and the alpha spectrometry measurement. The method was validated by analyzing a certified reference material, CRM 125-A, which is a uranium oxide pellet assay, isotopic, and radiochronometric standard. The results were compared to those obtained by our routine MC-ICP-MS 230Th/234U radiochronometry analysis method to assess the performance parameters for alpha spectrometry compared to the state-of-the-art technique.

Macsik, Zsuzsanna [Los Alamos National Laboratory

Mechanistic Understanding of Interphase-driven Aging in Silicon Anodes

Conventional solid electrolyte interphases (SEIs) strongly adhere to micro-silicon (µ-Si) and crack under volume changes, causing poor cycling performance. Nano-silicon improves cycling performance but remains costly with limited calendar life. Here potentiostatic ageing tests demonstrate that both calendar and cycle ageing are governed by SEI cracking and dissolution with different relative contributions. When the system is not dominated by SEI dissolution, the relative calendar life of Si anodes could correlates positively with their cycle life. LiF-rich SEI that enables long cycle life in µ-Si is therefore expected to enhance calendar life as well. Using this framework, we screened electrolytes, SEIs and electrodes and validated them with full-cell storage. LiF-rich SEI minimizes cracking and dissolution, enabling μ-Si to achieve excellent calendar life, whereas nano-silicon suffers from SEI dissolution and needs reduced electrolyte–electrode contact for better calendar life. This work clarifies calendar-ageing behaviour and accelerates electrolytes and SEI development for long-life Si anodes.

Johnson, Christopher S.

Gyromagnetic nonlinear transmission line for radio frequency signal generation and pulse compression

Disclosed are non-linear transmission lines using ferromagnetic materials to generate ferromagnetic resonance oscillations. In one aspect, a non-linear transmission line apparatus is disclosed. The apparatus includes an outer conductor having a first side and a second internally facing side, and an inner conductor positioned internal to the non-linear transmission line apparatus. The apparatus further includes a ferromagnetic material surrounding the inner conductor, wherein the ferromagnetic material comprises nanoparticles of an ε-polymorph of iron oxide expressed as ε-Fe2O3. The apparatus also includes a first dielectric material positioned between the outer conductor and the inner conductor, the dielectric material in contact with both the ferromagnetic material and with the second internally facing side of the outer conductor, wherein the outer conductor, the inner conductor, the dielectric material and the ferromagnetic material form the nonlinear transmission line.

Schneider, Joseph Devin

Unconventional solitonic high-temperature superfluorescence from perovskites

Fast thermal dephasing limits macroscopic quantum phenomena to cryogenic conditions and hinders their use at ambient temperatures. For electronic excitations in condensed media, dephasing is mediated by thermal lattice motion. Therefore, taming the lattice influence is essential for creating collective electronic quantum states at high temperatures. Although there are occasional reports of high-T c quantum effects across different platforms, it is unclear which lattice characteristics and electron–lattice interactions lead to macroscopically coherent electronic states in solids. Here we studied intensity fluctuations in the macroscopic polarization during the emergence of superfluorescence in a lead halide perovskite and showed that spontaneously synchronized polaronic lattice oscillations accompany collective electronic dipole emission. We further developed an effective field model and theoretically confirmed that exciton–lattice interactions lead to a new electronically and structurally entangled coherent extended solitonic state beyond a critical polaron density. The analysis shows a phase transition with two processes happening in tandem: incoherent disordered polaronic lattice deformations establish an order, while macroscopic quantum coherence among excitons simultaneously emerges. Recombination of excitons in this state culminates in superfluorescence at high temperatures. Our study establishes fundamental connections between the transient superfluorescence process observed after the impulsive excitation of perovskites and general equilibrium phase transitions achieved by thermal cooling. By identifying various electron–lattice interactions in the perovskite structure and their respective role in creating collectively coherent electronic effects in solids, our work provides unprecedented insight into the design and development of new materials that exhibit high-temperature macroscopic quantum phenomena.

36 MATERIALS SCIENCE

Superconductivity in Ruddlesden–Popper nickelates: a review of recent progress, focusing on thin films

The discovery of superconductivity with Tc ∼ 80 K in the nickelate Ruddlesden-Popper bilayer La3Ni2O7 at high pressure has opened a new platform for unconventional superconductivity, followed by the subsequent observation of superconductivity in trilayer La4Ni3O10, also at high pressure. Remarkably, ambient-pressure superconductivity was also observed recently in La3Ni2O7 ultra-thin films when grown on substrates that provide compressive strain. This discovery significantly extends the type of experimental techniques that can be used in nickelates, previously limited due to the high-pressure constraint. Discussing the similarities and differences among these nickel oxides will provide new insights into understanding the mechanism of high-Tc superconductivity in correlated electron systems. In this paper, we review the experimental and theoretical progress on Ruddlesden–Popper nickelates, with emphasis on thin films, and discuss future perspectives and research directions.

Zhang, Yang [ORNL] (ORCID:0000000336235883)