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At least 163 records · Page 9

Mountainous Floodplain Connectivity in Response to Hydrological Transitions

In mountainous watersheds, floodplain sediments are typically characterized by gravel bed layers capped by an overlying soil unit that serves as a hotspot for biogeochemical reactivity. However, the influence of soil biogeochemistry on gravel bed underflow composition remains unclear, especially during hydrological transitions that alter the vertical connectivity between overlaying soils and the underlying gravel bed. This study investigates these dynamics by measuring hydraulic gradients and water compositions over three hydrological years in a typical mountainous, low-order stream floodplain in the Upper Colorado River Basin. Results indicate that the timing of hydrological conditions strongly influences the vertical exchanges that control water quality. Specifically, during flooding events such as beaver ponding, that induce downward flushing of the soil, anoxic conditions prevalent in the biogeochemically active soil are transferred downstream via gravel bed underflow. Conversely, snowmelt and drought conditions increase oxic conditions in the gravel bed due to diminished hydrological connectivity with the overlying soil. To compare water quality response to hydrological transitions across similar floodplain environments, we propose a conceptual model that quantifies the inundation-induced flushing of soil porewater to measure solute exchange efficiency with the gravel bed solute convergence efficiency (SCE). This model provides a framework for quantifying biogeochemical processes in hydrological underflow systems, which is critical for water and elemental budgets in these globally important mountainous ecosystems.

58 GEOSCIENCES↗

Statistical Survey of Magnetic Flux Integral Quantities in Saturn's Magnetosphere

Magnetic flux integral quantities (e.g., flux tube entropy, flux tube content) are conserved quantities under the frozen-in assumption. The change of these quantities often indicates the violation of the frozen-in condition (e.g., interchange instability). In this study, we combine the Cassini CAPS and CHEMS moments data with a steady-state magnetic field model (i.e., the Caudal model) to estimate the flux tube mass and flux tube entropy in Saturn's magnetosphere. Our statistical survey found that the flux tube mass rapidly decreases with radial distance away from Saturn in the inner magnetosphere and roughly levels out in the middle magnetosphere. This indicates that the radial transport processes could occur via a double-reconnection process in the inner magnetosphere, while the radial transport processes appear to be more advective in the middle magnetosphere. Notice that Saturn's magnetosphere is stabilized by a radially increasing profile of flux tube entropy and destabilized by a radially decreasing profile of flux tube content. In this study, we also estimate the expected penetration location by using the flux tube interchange stability formalism developed by Southwood and Kivelson (1987, https://doi.org/10.1029/ja092ia01p00109). The results show that flux tube entropy can play a crucial role in braking the injections, while the flux tube content has a relatively smaller influence on the injected flux tube, being consistent with our previous case study by Wing et al. (2022, https://doi.org/10.3847/1538-4357/ac85b2).

Ma, Xuanye [Embry-Riddle Aeronautical University, ↗

Molecular architecture and functional dynamics of the pre-incision complex in nucleotide excision repair

Nucleotide excision repair (NER) is vital for genome integrity. Yet, our understanding of the complex NER protein machinery remains incomplete. Combining cryo-EM and XL-MS data with AlphaFold2 predictions, we build an integrative model of the NER pre-incision complex(PInC). Here TFIIH serves as a molecular ruler, defining the DNA bubble size and precisely positioning the XPG and XPF nucleases for incision. Using simulations and graph theoretical analyses, we unveil PInC’s assembly, global motions, and partitioning into dynamic communities. Remarkably, XPG caps XPD’s DNA-binding groove and bridges both junctions of the DNA bubble, suggesting a novel coordination mechanism of PInC’s dual incision. XPA rigging interlaces XPF/ERCC1 with RPA, XPD, XPB, and 5' ssDNA, exposing XPA’s crucial role in licensing the XPF/ERCC1 incision. Mapping disease mutations onto our models reveals clustering into distinct mechanistic classes, elucidating xeroderma pigmentosum and Cockayne syndrome disease etiology.

60 APPLIED LIFE SCIENCES↗

Purely electronic insulator-metal transition in rutile VO 2

Volatile resistive switching in neuromorphic computing can be tuned by external stimuli such as temperature or electric-field. However, this type of switching is generally coupled to structural changes, resulting in slower reaction speed and higher energy consumption when incorporated into an electronic device. The vanadium dioxide (VO 2 ), which has near room temperature metal-insulator transition (MIT), is an archetypical volatile resistive switching system. Here, we demonstrate an isostructural MIT in an ultrathin VO 2 film capped with a photoconductive cadmium sulfide (CdS) layer. Transmission electron microscopy, resistivity experiments, and first-principles calculations show that the hole carriers induced by CdS photovoltaic effect are driving the MIT in rutile VO 2 . The insulating-rutile VO 2 phase has been proved and can remain stable for hours. Our finding provides a new approach to produce purely electronically driven MIT in VO 2 , and widens its applications in fast-response, low-energy neuromorphic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Atomic-scale imaging and charge state manipulation of NV centers by scanning tunneling microscopy

Nitrogen-vacancy (NV) centers in diamond are among the most promising solid-state qubit candidates, owing to their exceptionally long spin coherence times, efficient spin-photon coupling, room-temperature operation, and steadily advancing fabrication and integration techniques. Despite significant progress in the field, atomic-scale characterization and control of individual NV centers have remained elusive. In this work, we utilize a conductive graphene capping layer to enable direct imaging and manipulation of NV - defects via scanning tunneling microscopy (STM). By investigating over 40 individual NV - centers, we identify their spectroscopic signatures and spatial configurations. Our dI/dV conductance spectra reveal the ground state resonance approximately 300 meV below the Fermi level and density-of-states maps uncover a two-lobed wavefunction aligned along the [111] crystallographic direction. Remarkably, we demonstrate the ability to manipulate the charge state of the NV centers from NV - to NV 0 through STM tip-induced gating. This work represents a significant advance in the atomic-scale imaging, spectroscopic characterization, and charge-state manipulation of NV centers, potentially paving the way for future quantum device development.

Raghavan, Arjun [Univ. of Illinois at Urbana-Champ↗

Dual interfacial H-bonding-enhanced deep-blue hybrid copper–iodide LEDs

Solution-processed light-emitting diodes based on non-toxic copper–iodide hybrids are a compelling solution for efficient and stable deep-blue lighting, owing to their tunability, high photoluminescence efficiency and environmental sustainability. Here we present a hybrid copper–iodide that shows near-unity photoluminescence quantum yield (99.6%) with an emission wavelength of 449 nm and colour coordinates (0.147, 0.087), alongside its emission mechanism and charge transport characteristics. Here, we use the thin film of this hybrid as the sole active emissive layer to fabricate deep-blue light-emitting diodes and subsequently enhance the device performance through a dual interfacial hydrogen-bond passivation strategy. This synergetic surface modification approach, integrating a hydrogen-bond-acceptor self-assembled monolayer with an ultrathin polymethyl methacrylate capping layer, effectively passivates both heterojunctions of the copper–iodide hybrid emissive layer and optimizes charge injections. We achieve a maximum external quantum efficiency of 12.57%, a maximum luminance of 3,970.30 cd m −2 with colour coordinates (0.147, 0.091) and an excellent operational stability (half-lifetime) of 204 hours under ambient conditions. We further showcase a large-area device of 4 cm 2 that maintains high efficiency. Our findings reveal the potential of copper–iodide-based hybrid materials for applications in solid-state lighting and display technologies, offering a versatile strategy for enhancing device performances.

14 SOLAR ENERGY↗

Label-free structural imaging of plant roots and microbes using third-harmonic generation microscopy

Root biology is pivotal in addressing global challenges including sustainable agriculture and climate change. However, roots have been relatively understudied among plant organs, partly due to the difficulties in imaging root structures in their natural environment. Here we used microfabricated ecosystems (EcoFABs) to establish growing environments with optical access and employed nonlinear multimodal microscopy of third-harmonic generation (THG) and three-photon fluorescence (3PF) to achieve label-free, in situ imaging of live roots and microbes at high spatiotemporal resolution. THG enabled us to observe key plant root structures including the vasculature, Casparian strips, dividing meristematic cells, and root cap cells, as well as subcellular features including nuclear envelopes, nucleoli, starch granules, and putative stress granules. THG from the cell walls of bacteria and fungi also provides label-free contrast for visualizing these microbes in the root rhizosphere. With simultaneously recorded 3PF signal, we demonstrated our ability to investigate root-microbe interactions by achieving single-bacterium tracking and subcellular imaging of fungal spores and hyphae in the rhizosphere.

Pan, Daisong [University of California, Berkeley, ↗

Effect of growth dynamics on the structural, photophysical and pseudocapacitance properties of famatinite copper antimony sulphide colloidal nanostructures (including nanosheets)

Facile phase selective synthesis of copper antimony sulphide (CAS) nanostructures is important because of their tunable photoconductive and electrochemical properties. In this study, off-stoichiometric famatinite phase CAS (fCAS) quasi-spherical and quasi-hexagonal colloidal nanostructures (including nanosheets) of sizes, 2.4–18.0 nm were grown under variable conditions of temperature (60–200 °C), time and oleylamine capping ligand concentration using copper(II) acetylacetonate and antimony(III) diethyldithiocarbamate precursors. Data from powder X-ray diffraction, Raman spectroscopy and high-resolution scanning/transmission electron microscopy confirm the tetragonal structure of the famatinite phase. X-ray photoelectron spectroscopy, transmission electron microscopy and scanning electron microscopy-energy dispersive X-ray spectroscopy data suggest a correlation of particle size, morphology and composition of the off-stoichiometric fCAS nanostructures with growth temperature and time, and oleylamine concentration. The off-stoichiometric Cu 3-a Sb 1+b S 4±c (a, b, c – mole fractions) nanostructures being severely copper-deficient and antimony-rich, exhibit shallow-lying acceptor copper vacancy states, deep-lying donor states of antimony interstitials, sulphur vacancies and antimony-copper antisites and shallow-lying acceptor surface trapping states. Further, these electronic states are likely implicated in tunable UV-visible absorption and bandgaps between 2.3 and 2.8 eV, and broad visible-NIR photoluminescence with fast recombination of radiative lifetimes between 0.2 and 6.2 ns, confirmed from absorption, steady-state and time-resolved photoluminescence spectroscopies. Additionally, cyclic voltammetry and electrochemical impedance spectroscopy confirm that electrodes of the fCAS nanostructures display slightly variable pseudocapacitance of charge-storage primarily via possible sodium ion intercalation with a high specific capacitance of ~84 F g -1 obtained at a scan rate of 5 mV s -1 . Overall, these results show the influence of composition, in particular point defects, phase quality and morphology on the optical and pseudocapacitance properties of fCAS nanostructures, suitable as solar absorbers or electrodes for energy storage devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Uptake of polystyrene nanospheres by wheat and Arabidopsis roots in agar, hydroponics, and soil

Plant uptake of micro- and nanoplastics can lead to contamination of food with plastic particles and subsequent human consumption of plastics. There is evidence that plant roots can take up micro and nanoplastics; however, most of this evidence stems from experiments conducted with plants grown in hydroponics or agar systems where uptake of nanoparticles by roots is more favorable than when plants were grown in soil. Here, we discern the root uptake and accumulation of polystyrene nanospheres in plants grown in different growth media: agar, hydroponics, and soil. In addition, we tested the impacts of nanospheres on plant biomass and plant stress. Wheat and Arabidopsis thaliana were grown in agar, hydroponics, and soil media and exposed to polystyrene nanospheres. Three different nanospheres were used (40 nm and 200 nm carboxylate-modified and 200 nm amino-modified polystyrene) and uniformly mixed into the growth media. Plants were grown for 7 to 10 days and the roots were then examined for the presence of nanospheres by confocal laser scanning microscopy and scanning electron microscopy. Plant stress was evaluated by measuring reactive oxygen species (ROS). We observed the 40 nm nanospheres inside the plant roots, but the 200 nm nanospheres only adhered to the root cap cells showing no uptake into the roots. Furthermore, confocal images indicated that root uptake of nanospheres was favored in hydroponic solutions as compared to agar and soil media. Plant biomass was generally not affected by the nanospheres, except for hydroponically grown Arabidopsis thaliana, where biomass was significantly reduced. Small sized (40 nm) and positively charged (200 nm amino-modified) nanospheres showed higher ROS accumulation in plants than negatively charged 200 nm carboxylate-modified nanospheres. In conclusion, this study provides evidence that polystyrene nanospheres can be taken up into the interior of plant roots and cause plant stress, but these impacts are less pronounced in media where the plastic particles are less mobile, like in agar and soil media as compared to hydroponic systems.

54 ENVIRONMENTAL SCIENCES↗

Mechanical properties of freestanding few-layer graphene/boron nitride/polymer heterostacks investigated with local and non-local techniques

van der Waals two-dimensional materials and heterostructures combined with polymer films continue to attract research attention to elucidate their functionality and potential applications. This study presents the fabrication and mechanical testing of 2D material heterostacks, consisting of few-layer boron nitride and graphene heterostructures synthesized via chemical vapor deposition, capped with a polymethyl methacrylate layer and suspended across ∼200 μm wide trenches using a combined wet–dry transfer method. The mechanical characterization of the heterostacks was performed using two independent approaches: (a) non-local testing with a custom-built tensile testing platform and (b) local load–displacement testing employing atomic force microscopy probes, complemented by finite element simulations. Both approaches provided new results, which are in good agreement with each other. Overall, our findings offer new insights into a combined load capacity in complex multi-material two-dimensional systems, and can contribute to advancing micro and nano-scale device designs and implementations.

Lespasio, Marcus↗

Dielectric constant engineering of nonfullerene acceptors enables a record fill factor of 83.58% and a high efficiency of 20.80% in organic solar cells

Organic solar cells (OSCs) have achieved power conversion efficiencies (PCEs) surpassing 20%, but their development remains hindered by the inherently low dielectric constant (εr) of organic semiconductors, which limits charge transport and contributes to serious recombination losses. Herein, we present a comprehensive strategy to overcome the challenge by engineering the dielectric properties of nonfullerene acceptors (NFAs). Two Y-series NFAs of BTP-N3F and BTP-C3F have been synthesized featuring trifluoromethyl (CF 3 ) end-capped alkyl side chains. This molecular design significantly enhances the dipole moment and ε r (up to ∼5.9) when compared to the reference acceptor Y6 (∼3), reducing the exciton binding energy (E b ) and improving charge transport. Furthermore, the incorporation of a high-εr polymer additive, poly(pentafluorostyrene) (PPFS), synergistically improves the active layer morphology and dielectric properties, enabling efficient charge extraction and reduced recombination losses. Devices based on the optimized D18-Cl/BTP-C3F system have achieved a record-high fill factor (FF) of 83.58% and an impressive PCE of 20.80%, setting a new benchmark for OSCs. Finally, our results underscore the pivotal role of ε r in enhancing device performance and establish a versatile pathway for advancing OSC efficiency and stability through molecular and morphological optimization.

36 MATERIALS SCIENCE↗

Elucidating the geometric and electronic structure of a fully sulfided analog of an Anderson polyoxomolybdate cluster

The catalytic activity of transition metal sulfide (TMS) clusters in small molecule activation, redox transformations, and charge transfer has inspired the design of novel TMS-based materials for energy-related catalysis and chemical applications. Polyoxometalates (POMs), known for their structural diversity, can in principle be transformed into TMS clusters; however, fully sulfided analogs are rarely isolated, likely due to the strong tendency of uncapped TMS clusters to agglomerate. Here, we report the geometric and electronic structure of a capping ligand-free fully sulfided analog of heptamolybdate Anderson POM [Mo VI 7 O 24 ] 6− , synthesized through the sulfidation of a nanoconfined POM secured within a porous Zr-metal organic framework (NU-1000). A combined computational and experimental analysis indicates that the sulfided counterpart of the Anderson POM is geometrically and electronically more sophisticated than the parent POM. Comparison of experimental pair distribution function (PDF) data with computational simulations confirms that, unlike the oxygen-only [Mo VI 7 O 24 ] 6− cluster, the [Mo IV 7 (μ 3 -S) 6 (μ 2 -SH) 6 (S 2 ) 6 ] 2− polythiometalate (PTM) exhibits diverse sulfur anions (S 2− , HS − , S 2 2− ). DFT calculations indicate that H 2 S acts as a reducing agent, and together with terminal disulfide (S 2 2− ) ligands in the PTM structure, facilitates the complete reduction of all seven Mo VI centers in the parent POM to Mo IV . These findings are supported by X-ray photoelectron spectroscopy (XPS), which confirms exclusive Mo IV , and elemental analysis, which shows quantitative sulfur incorporation. Difference envelope density (DED) mapping further reveals that the PTM clusters are spatially confined within the MOF pores, preventing agglomeration and preserving molecular integrity.

Rabbani, S. M. Gulam [The Ohio State University, C↗

Robust photocatalytic hydrogen generation from CdSe nanoplatelets

Mercaptopropionic acid (MPA) capped-CdSe NPLs in-conjunction with a nickel-dihydrolipoic acid (Ni-DHLA) co-catalyst, yielded a robust output of photocatalytically generated hydrogen (H 2 ) at low concentrations of nanoplatelets. Furthermore, etching led to increased catalytic efficiency, suggesting that exposed catalytically active sites are primarily responsible for photocatalytic activity.

Phinney, Elizabeth O. [University of Rochester, NY↗

Strong field ionization and dissociation dynamics of vinyl bromide (C 2 H 3 Br) initiated by few-cycle pulses

Photoelectron-photoion (PEPICO) and photoion-photoion (PIPICO) coincidence measurements, coupled with a few-cycle intense laser field, were employed to investigate strong field ionization/dissociation dynamics of vinyl bromide (C₂H₃Br). The angular streaking technique was used to map the recoil-frame angle-dependent ionization rates to identify ionizing orbitals. Dissociative single ionization was mainly attributed to ionizing the lower lying molecular orbitals, suggesting that direct ionization dominates with few-cycle pulses. Three dissociative double ionization channels, both prompt and delayed fragmentation, were identified. Theoretical analysis using time-dependent configuration interaction with complex absorbing potential (TDCI-CAP) and high-level electronic structure methods was performed to elucidate the underlying ionization and dissociation mechanisms.

Olowolafe, Temitayo A. [Wayne State University, De↗

Upcycling waste PET into functional multiblock copolymers through controlled macromolecular design

Poly(ethylene terephthalate) (PET) oligomers derived from glycolysis depolymerization were converted into multiblock copolymers through diisocyanate-mediated coupling with dihydroxy-terminated oligomers, enabling precise control over copolymer sequence distribution, connectivity, and mechanical performance. Here, we demonstrate that telechelic PET oligomers isolated directly from depolymerized consumer waste can serve as reactive building blocks for the formation of segmented multiblock copolymers, eliminating the need to revert to monomeric feedstocks. Dihydroxy-terminated PET oligomers (Mw ≈ 8 kg mol−1) were coupled with poly(ethylene oxide) (PEO, Mw ≈ 4 kg mol−1) to form PET-PEO multiblock copolymers with high molar mass (Mw ≈ 160 kg mol−1). We further show that the timing of end-capping reactions provides a key control parameter that governs the competition between chain extension and termination, thereby dictating the resulting multiblock architecture and molecular-weight evolution. Evaluation of their mechanical properties reveals that virgin PET exhibits high modulus (∼3 GPa) and strength (43 MPa) but limited ductility (<10% elongation). In contrast, PET–PEO multiblock copolymers retain comparable tensile strength (44 MPa), albeit while exhibiting dramatically enhanced ductility (>90% elongation), forming tougher materials with efficient stress transfer between the rigid PET domains and the flexible PEO segments. When incorporated into PET/PEO blends at low loadings, the multiblock copolymers serve as effective compatibilizers, yielding materials with an intermediate modulus (1.1–1.2 GPa) and improved elongation compared to uncompatibilized blends. Furthermore, the presence of PEO blocks increases water uptake and gas permeability relative to virgin PET, reflecting the tunability of molecular transport through the copolymeric blocks. To our knowledge, this represents the first report of PET–PEO multiblock copolymers derived from post-consumer PET for gas transport applications. These results demonstrate that multiblock copolymer formation from telechelic PET oligomers provides a versatile platform for tailoring the mechanical and transport behavior of polyester-based materials through controlled macromolecular design and establishes a generalizable strategy for transforming consumer plastic waste into functional segmented polymers without requiring complete depolymerization to monomers.

Watson-Sanders, Shelby [Department of Chemistry, U↗

Studying baryon acoustic oscillations using photometric redshifts from the DESI Legacy Imaging survey DR9

Context. The Dark Energy Spectroscopic Instrument (DESI) Legacy Imaging Survey DR9 (DR9 hereafter), with its extensive dataset of galaxy locations and photometric redshifts, presents an opportunity to study baryon acoustic oscillations (BAOs) in the region covered by the ongoing spectroscopic survey with DESI. Aims. We aim to investigate differences between different parts of the DR9 footprint. Furthermore, we want to measure the BAO scale for luminous red galaxies within them. Our selected redshift range of 0.6–0.8 corresponds to the bin in which a tension between DESI Y1 and eBOSS was found. Methods. We calculated the anisotropic two-point correlation function in a modified binning scheme to detect the BAOs in DR9 data. We then used template fits based on simulations to measure the BAO scale in the imaging data. Results. Our analysis reveals the expected correlation function shape in most of the footprint areas, showing a BAO scale consistent with Planck’s observations. Aside from identified mask-related data issues in the southern region of the South Galactic Cap, we find a notable variance between the different footprints. Conclusions. We find that this variance is consistent with the difference between the DESI Y1 and eBOSS data, and it supports the argument that that tension is caused by sample variance. Additionally, we also uncovered systematic biases not previously accounted for in photometric BAO studies. We emphasize the necessity of adjusting for the systematic shift in the BAO scale associated with typical photometric redshift uncertainties to ensure accurate measurements.

79 ASTRONOMY AND ASTROPHYSICS↗

Overview of the front-end electronics of CMS HGCal - including readout and powering

The end-cap calorimeters of CMS will be upgraded to a single High Granularity Calorimeter (HG-Cal) for the HL-LHC, including both silicon sensors and scintillator tiles with on-tile SiPMs as active elements. The readout of the active elements is performed by an ASIC (HGCROC in 130 nm CMOS technology) that measures the amplitude and arrival time of the signals. The amplitude is measured over a large dynamic range to allow calibration with single particles and the measurement of TeV showers. The time of arrival of high-energy showers will be measured with a precision of around 30 ps. A second pair of “concentrator” ASICs - ECON-T and ECON-D - takes the data from the HGCROC channels and packages them for transmission via optical links to the off-detector electronics. The ECON-T transmits trigger data at 40 MHz, to form part of the level-1 trigger. The ECON-D transmits concentrated data packets at up to 1 MHz, upon reception of a level-1 trigger signal. In addition to these ASICs, HGCal will use modified versions of common HL-LHC electronics developments, for the power chain and the optical control and readout. The dense nature of the HGCal provides additional challenges for the electronic boards and cabling. In this proceedings the overall HGCal front electronics scheme, including the latest performance of the HGCROC and ECON ASICs is presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Nanodiffraction imaging of ionically driven phase separation in cobaltite heterostructures

Controlling the anionic stoichiometry and distribution of perovskite cobaltites presents a powerful method for tailoring the magnetic and electronic properties for magneto-ionic applications. Nevertheless, the influence of nanoscale morphology, including phase separation and defects in cobaltite heterostructures, remains largely unexplored. We used x-ray nanodiffraction to directly image the nanoscale topotactic phase transformation in La 1−x Sr x CoO 3 (LSCO) heterostructures capped with a reactive aluminum (Al) layer (i.e., oxygen “getter”) of varying thicknesses (0.5, 3, and 7 nm). Nanodiffraction images reveal the formation of highly elongated BM filaments extending over mesoscopic lengths (>67 μm), indicating a strong tendency toward oxygen vacancy ordering in both P and BM phases in all heterostructures. Local strain and strain gradient analysis shows a strong correlation between the depletion of the P phase and strain gradients. Our measurements suggest that elongation of the BM filaments is the predominant mechanism for topotactic transformation in LSCO/Al heterostructures, preferred over coarsening, branching, and fractal growth. Our study provides a detailed nanoscale analysis of ionically driven phase transitions in LSCO/Al heterostructures, which is crucial for tailoring the functional properties of cobaltites for magneto-ionic devices.

36 MATERIALS SCIENCE↗