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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Electrochemical Phase Engineering of γ′-V 2 O 5 Thin Films for Sodium-Ion Storage Electrodes

V 2 O 5 is a promising sodium-ion cathode material due to its high theoretical capacity (147 mAh/g) and working voltage (3.3 V vs Na/Na + ). Among its various crystal phases, γ′-V 2 O 5 has a large interlayer spacing, ensuring the reversible insertion–extraction of sodium ions. However, current synthesis methods for γ′-V2O5 require high temperatures (>600 °C) and toxic chemicals (NO 2 BF 4 ), which make the preparation demanding. Herein, we put forward an electrochemical phase engineering method combining thermal annealing and electrochemistry to easily prepare thin-film γ′-V 2 O 5 . Electrochemical characterization shows near-ideal performance as a thin-film cathode material for sodium-ion batteries. It shows a measured initial capacity of 152 mAh/g, a high working voltage (3.3 V vs Na + /Na), and an exceptional Coulombic efficiency of 98%, significantly surpassing previously reported values (∼50% CE). Cyclic voltammogram and galvanostatic capacity curves confirm the sodium insertion–deinsertion, which remains stable at 2 C. The γ′-V 2 O 5 thin film has electrochemical performance similar to γ′-V 2 O 5 powder, indicating another workable morphology of γ′-V 2 O 5 for sodium-ion batteries.

batteries↗
DOE OSTI2020

Quantitative and qualitative bone imaging: A review of synchrotron radiation microtomography analysis in bone research

All levels of the unique hierarchical structure of bone, consisting of collagen and hydroxyapatite crystals at the nanoscale to osteon/lamellae structures at the microscale, contribute to its characteristic toughness and material properties. Elements of bone's density and size contribute to bone quantity (or bone mass), whereas elements of bone's material composition, material properties, internal structure, and organization describe bone quality. Furthermore, bone quantity and quality can be degraded by factors such as aging, disease, treatments, and irradiation, compromising its ability to resist fracture and sustain loading. Accessing the morphology and architecture of bone at the microscale to quantify microstructural features and assess the degree of mineralization and path of crack propagation in bone provides crucial information on how these factors are influencing bone quantity and quality. Synchrotron radiation micro-computed tomography (SRμCT) was first used to assess bone structure at the end of the 1990's. One of the main advantages of the technique is that it enables accurate three-dimensional (3D), non-destructive quantification of structure while traditional histomorphometry on histological sections is inherantly destructive to the sample and two-dimensional (2D). Additionally, SRμCT uses monochromatic, high-flux X-ray beams to provide high-resolution and high-contrast imaging of bone samples. This allows the quantification of small microstructural features (e.g. osteocyte lacunae, canals, trabeculae, microcracks) and direct gray value compositional mapping (e.g. mineral quantification, cement lines) with greater speed and fidelity than lab-based micro-computed tomography. In this article, we review how SRμCT has been applied to bone research to elucidate the mechanisms by which bone aging, disease, and other factors affect bone fragility and resistance to fracture.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

High-temperature low-humidity proton exchange membrane with “stream-reservoir” ionic channels for high-power-density fuel cells

The perfluorosulfonic acid (PFSA) proton exchange membrane (PEM) is the key component for hydrogen fuel cells (FCs). We used in situ synchrotron scattering to investigate the PEM morphology evolution and found a “stream-reservoir” morphology, which enables efficient proton transport. The short-side-chain (SSC) PFSA PEM is fabricated under the guidance of morphology optimization, which delivered a proton conductivity of 193 milliSiemens per centimeter [95% relativity humidity (RH)] and 40 milliSiemens per centimeter (40% RH) at 80°C. The improved glass transition temperature, water permeability, and mechanical strength enable high-temperature low-humidity FC applications. Performance improvement by 82.3% at 110°C and 25% RH is obtained for SSC-PFSA PEM FCs compared to Nafion polymer PEM devices. The insights in chain conformation, packing mechanism, crystallization, and phase separation of PFSAs build up the structure-property relationship. In addition, SSC-PFSA PEM is ideal for high-temperature low-humidity FCs that are needed urgently for high-power-density and heavy-duty applications.

25 ENERGY STORAGE↗
DOE OSTI2022

Title Coherent X-ray Studies of Surface Growth and Patterning Processes

X-ray Photon Correlation Spectroscopy (XPCS) is being developed as a tool to study nanoscale dynamics of fluctuations during thin film growth and surface patterning. XPCS examines the evolution of the X-ray scattering speckle pattern in reciprocal space to reveal dynamics information not accessible through any other means. Unlike low-coherence conventional X-ray scattering, which incoherently averages over different regions of a sample, coherent X-ray scattering is sensitive to the detailed structure of a given sample at that moment in time. In thin film growth processes, heterodyning, which occurs due to coherent mixing of two scattered signals, can be used to investigate the relationship between surface growth velocity and defect propagation. And, for polycrystalline thin film growth, the spatial coherence of the X-ray beam can substitute for the missing spatial coherence of the growth process to track layered growth in detail, even in a growth regime in which there are no conventional growth oscillations of the X-ray intensity. This has opened the door for detailed dynamics studies of individual atomic layers during real-world growth and patterning, not just in perfect single-crystal growth cases, which greatly expands the applicability of in-situ X-ray scattering methods. Step-flow dynamics in mounded polycrystalline growth has been studied separately for two thin film organic semiconductors deposited by thermal deposition in a vacuum environment, C60 and diindenoperylene (DIP). Highly oriented polycrystalline thin films are readily obtained in both systems, where mounds are composed of crystalline monolayer-height steps and terraces in a so-called wedding cake morphology. The formation of mounds is understood to be due to significant Ehrlich-Schwoebel step edge barriers that inhibit molecules from hopping down from one layer to the one below. The mounds exhibit local step flow, which can be monitored using coherent X-ray scattering. This is made possible due to heterodyning between scattering from the average mounds and the moving steps, which becomes visible in XPCS analysis. The effect of desorption, i.e. re-evaporation of deposited molecules is found to be important for understanding these processes. The impact of this work is to enable testing of models of step dynamics, the shape of mounds, and merging of mounds to form continuous thin films. Highly ordered polycrystalline thin films deposited on inexpensive substrates have applications in thin film solar cells and other organic electronic devices. In a separate set of experiments, speckle analysis during self-organized ion beam nanopatterning reveals memory stretching back to the beginning of patterning in the early stages and enables measurement of the velocity of self-organized patterns across surfaces providing the possibility of stringent new tests of the theory of pattern formation and motion.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Hypervelocity impact survivability experiments for carbonaceous impactors

We performed a series of hypervelocity impact experiments using carbon-bearing impactors (diamond, graphite, fullerenes, phthalic acid crystals, and Murchison meteorite) into Al plate at velocities between 4.2 and 6.1 km/s. These tests were made to do the following: (1) determine the survivability of carbon forms and organize molecules in low hypervelocity impact; (2) characterize carbonaceous impactor residues; and (3) determine whether or not fullerenes could form from carbonaceous impactors, under our experimental conditions, or survive as impactors. An analytical protocol of field emission SEM imagery, SEM-EDX, laser Raman spectroscopy, single and 2-stage laser mass spectrometry, and laser induced fluorescence (LIF) found the following: (1) diamonds did not survive impact at 4.8 km/s, but were transformed into various forms of disordered graphite; (2) intact, well-ordered graphite impactors did survive impact at 5.9 km/sec, but were only found in the crater bottom centers; the degree of impact-induced disorder in the graphite increases outward (walls, rims, ejecta); (3) phthalic acid crystals were destroyed on impact (at 4.2 km/s, although a large proportion of phthalic acid molecules did survive impact); (4) fullerenes did not form as products of carbonaceous impactors (5.9 - 6.1 km/s, fullerene impactor molecules mostly survived impact at 5.9 km/s; and (5) two Murchison meteorite samples (launched at 4.8 and 5.9 km/s) show preservation of some higher mass polycyclic aromatic hydrocarbons (PAHs) compared with the non-impacted sample. Each impactor type shows unique impactor residue morphologies produced at a given impact velocity. An expanded methodology is presented to announce relatively new analytical techniques together with innovative modifications to other methods that can be used to characterize small impact residues in LDEF craters, in addition to other acquired extraterrestrial samples.

Bunch, T. E.↗
NASA NTRS1998

X-ray Diffraction Studies of the Structure and Thermochemistry of Alkaline-Earth Oxide-Coated Thermionic Cathodes

NASA LeRC has a broad, active cathode technology development program in which both experimental and theoretical studies are being employed to further development of thermionic cathodes for use as electron sources in vacuum devices for communications and other space applications. One important type of thermionic cathode under development is the alkaline-earth oxide-coated (BaO, SrO, CaO) cathode. Significant improvements in the emission characteristics of this cathode have been obtained through modification of the chemical composition and morphology of the oxide coating, with the best result thus far coming from the addition of In2O3 and Sc2O3. Whereas the In2O3 produces a finer, more uniform particle structure, the exact chemical state and role of the Sc2O3 in the emission enhancement is unknown. The purpose of this cooperative agreement is to combine the studies of the surface chemistry and electron emission at NASA LeRC of chemically modified oxide coatings with a study of the thermochemistry and crystal structure using X-ray diffraction equipment and expertise at Clark Atlanta University (CAU). The study at CAU is intended to provide the description and understanding of the structure and thermochemistry needed for further improvement and optimization of the modified coatings. A description of the experimental procedure, preliminary X-ray diffraction test results, together with the design of an ultrahigh vacuum chamber necessary for high temperature thermochemistry studies will be presented.

Karikari, E. K.↗
DOE OSTI2025

Active Fluids Form System-Spanning Filamentary Networks

Recent experimental realizations of liquid-liquid phase separation of active liquid crystals have offered an insight into the interaction between phase separation, ubiquitous in soft matter and biology, and chaotic active flows. Here, in this Letter, we use continuum theory to examine phase separation of an active liquid crystal and a passive fluid and report two new results. First, we provide an analytical derivation of the activity-induced suppression of the phase boundary of the coexistence region—a result first reported in simulations and experiments. We show that the shift in the critical point is a result of the balance between self-stirring active flows and phase-separating diffusive fluxes. Second, we show that this same balance is responsible for dramatically changing the morphology of the phase separated state, resulting in the emergence of a new mixed active phase consisting of a dynamical filamentous active network that invades the entire system area, trapping droplets of passive material. This structure exists even for very low volume fractions of active material. Our work provides an important step towards the goal of understanding how to use activity as a new handle for sculpting interfaces.

active nematics↗
DOE OSTI2026

Reducing Non-Radiative Recombination in Perovskite Solar Cells with a SiO2-Graphene Oxide Buried Interface Layer

Perovskite solar cells (PSCs) have emerged as a transformative photovoltaic technology. However, the device performance of inverted PSCs is dramatically limited by surface defects and the underlying film morphology of metal halide perovskite (MHP) thin film. Herein, we report a novel buried interface layer consisting of SiO2 nanoparticles (NPs) chemically bonded to graphene oxide (GO), deposited atop a hydrophobic hole extraction layer (HEL) to address this limitation. The SiO2 NPs serve as insoluble scaffolds that immobilize GO sheets on the hydrophobic HEL surface, enabling the formation of homogeneous MHP thin films. Meanwhile, the GO functional groups interact with surface-uncoordinated Pb2+, suppressing interfacial defects and guiding crystal grain growth of the resultant MHP thin films. This synergistic effect suppresses non-radiative charge recombination and enhances charge extraction efficiency. As a result, a 26.07% efficiency with significantly suppressed photocurrent hysteresis is observed from PSCs incorporating the SiO2-GO buried interface layer. Moreover, the above PSCs maintain 92% of their initial PCE after 1800 h of continuous operation at the maximum power point under AM 1.5 G (100 mW/cm2) illumination at 25 degrees C in air with 50-60% relative humidity. These results demonstrate that we have developed a facile and effective way to realize high-performance inverted PSCs.

14 SOLAR ENERGY↗
DOE OSTI2026

Engineering Escherichia coli for Urease-Driven Synthesis of Metal Oxide Nanomaterials

The development of functional nanomaterials with controlled morphologies is essential for advancements in medicine, electronics and computing, energy, catalysis, and environmental applications. However, conventional synthesis methods often demand high energy input and pose significant environmental challenges. Urease-based biomineralization presents an efficient, eco-friendly alternative for nanomaterial production under mild conditions. In this study, we engineered Escherichia coli ( E. coli ) to express a urease gene cluster from Sporosarcina pasteurii using CRAGE-Duet technology. The engineered strain successfully synthesized calcium carbonate and calcium phosphate crystals. Expanding the approach, we synthesized metal oxide nanoparticles, including hematite (Fe 2 O 3 ), and nanocrystalline anatase titanium dioxide (TiO 2 ). These nanomaterials were characterized by electron microscopy, demonstrating the potential of E. coli as a sustainable and versatile platform for green nanomaterial synthesis.

bacteria↗
NASA NTRS2007

Microscopic Observation of Self-Propagation of Calcifying Nanoparticles (Nanobacteria)

Biologists typically define living organisms as carbon and water-based cellular forms with :self-replication" as the fundamental trait of the life process. However, this standard dictionary definition of life does not help scientists to categorize self-replicators like viruses, prions, proteons and artificial life. CNP also named nanobacteria were discovered in early 1990s as about 100 nanometer-sized bacteria-like particles with unique apatite mineral-shells around them, and found to be associated with pathological-calcification related diseases. Although CNP have been isolated and cultured from mammalian blood and diseased calcified tissues, and their biomineralizing properties well established, their biological nature and self-replicating capability have always been severely challenged. The terms "self-replication", "self-assembly" or "self-propagation" have been widely used for all systems including nanomachines, crystals, computer viruses and memes. In a simple taxonomy, all biological and non-biological "self replicators", have been classified into "living" or "nonliving" based on the properties of the systems and the amount of support they require to self-replicate. To enhance our understanding about self-replicating nature of CNP, we have investigated their growth in specific culture conditions using conventional inverted light microscope and BioStation IM, Nikon s latest time-lapse imaging system. Their morphological structure was examined using scanning (SEM) and transmission (TEM) electron microscopy. This present study, in conjunction with previous findings of metabolic activity, antibiotic sensitivity, antibody specificity, morphological aspects and infectivity, all concomitantly validate CNP as living self-replicators.

Mathew, Grace↗
DOE OSTI2022

TiO 2 Nanocoatings with Controllable Crystal Type and Nanoscale Topography on Zirconia Implants to Accelerate Bone Formation

In dentistry, zirconia implants have emerged as a promising alternative for replacing missing teeth due to their superior aesthetic performance and chemical stability. To improve the osseointegration of zirconia implants, modifying their surface with hierarchical micro/nanotopography and bioactive chemical composition are two effective ways. In this work, a microscale topography was prepared on a zirconia surface using hydrofluoric acid etching, and then a 50 nm TiO 2 nanocoating was deposited via atomic layer deposition (ALD). Subsequently, an annealing treatment was used to transform the TiO 2 from amorphous to anatase and simultaneously generate nanoscale topography. Various investigations into the coating surface morphology, topography, wettability, and chemical composition were carried out using scanning electron microscopy, white light interferometry, contact‐angle measurement, X‐ray diffraction, and X‐ray photoelectron spectroscopy. In addition, in vitro cytocompatibility and osteogenic potential performance of the coatings were evaluated by human bone marrow mesenchymal stem cells (hBMSCs), and in vivo osseointegration performance was assessed in a rat femoral condyle model. Moreover, the possible mechanism was also investigated. The deposition of TiO 2 film with/without annealing treatment did not alter the microscale roughness of the zirconia surface, whereas the nanotopography changed significantly after annealing. The in vitro studies revealed that the anatase TiO 2 coating with regular wavelike nanostructure could promote the adhesion and proliferation of osteoblasts and further improve the osteogenic potential in vitro and osseointegration in vivo. These positive effects may be caused by nanoscale topography via the canonical Wnt/ β ‐catenin pathway. The results suggest that using ALD in combination with annealing treatment to fabricate a nanotopographic TiO 2 coating is a promising way to improve the osteogenic properties of zirconia implants.

Li, Nan (ORCID:0000000255156737)↗
NASA NTRS1984

Transport Processes in Dendritic Crystallization

Free dentritic growth refers to the unconstrained development of crystals within a supercooled melt, which is the classical dendrite problem. The development of theoretical understanding of dendritic growth and its experimental status is sketched showing that transport theory and interfacial thermodynamics (capillarity theory) are insufficient ingredients to develop a truly predictive model of dendrite formation. The convenient, but incorrect, notion of maximum velocity was used for many years to estimate the behavior of dendritic transformations until supplanted by modern dynamic stability theory. The proper combinations of transport theory and morphological stability seem to be able to predict the salient aspects of dendritic growth, especially in the neighborhood of the tip.

Glicksman, M. E.↗
NASA NTRS2013

A Renewed Search for Elusive Lunar Granophyres

Recent remote sensing studies [e.g., 1-3] indicate that several un-sampled regions of the Moon have significantly higher concentrations of silicic material (also high in [K], [U], and [Th]) than sampled regions. Within these areas are morphological features that are best explained by the existence of chemically evolved volcanic rocks. Observations of silicic domes [e.g., 1-5] suggest that sizable networks of silicic melt were present during crust-formation. Because of these recent findings there is a renewed interest in the petrogenesis of lunar, felsic igneous rocks. Specific questions are: (1) when were these magmas generated?, and (2) what was the source material? The two main hypotheses for generating silicic melts on Earth are fractional crystallization or partial melting of preexisting crust. On the Moon silicic melts are thought to have been generated during extreme fractional crystallization involving end-stage silicate liquid immiscibility (SLI) [e.g. 6, 7]. However, SLI cannot account for the production of significant volumes of silicic melt and its wide distribution, as reported by the remote global surveys [1, 2, 3]. In addition, experimental and natural products of SLI show that U and Th, which are abundant in the lunar granites and seen in the remote sensing data of the domes, are preferentially partitioned into the depolymerized ferrobasaltic magma and not the silicic portion [8, 9]. If SLI is not the mechanism that generated silicic magmas on the Moon then alternative processes such as fractional crystallization (only crystal-liquid separation) or partial melting should be considered as viable possibilities to be tested.

Mills, R. D.↗
NASA NTRS2013

A Thorough Search for Elusive Lunar Granophyres

Recent remote sensing studies [e.g., 1-3] indicate that several un-sampled regions of the Moon have significantly higher concentrations of silicic material (also high in [K], [U], and [Th]) than sampled regions. Within these areas are morphological features that are best explained by the existence of chemically evolved volcanic rocks. Observations of silicic domes [e.g., 1-5] suggest that sizable networks of silicic melt were present during crust-formation. Because of these recent findings there is a renewed interest in the petrogenesis of lunar, felsic igneous rocks. Specific questions are: (1) when were these magmas generated?, and (2) what was the source material? The two main hypotheses for generating silicic melts on Earth are fractional crystallization or partial melting of preexisting crust. On the Moon silicic melts are thought to have been generated during extreme fractional crystallization involving end-stage silicate liquid immiscibility (SLI) [e.g. 6, 7]. However, SLI cannot account for the production of significant volumes of silicic melt and its wide distribution, as reported by the remote global surveys [1, 2, 3]. In addition, experimental and natural products of SLI show that U and Th, which are abundant in the lunar granites and seen in the remote sensing data of the domes, are preferentially partitioned into the depolymerized ferrobasaltic magma and not the silicic portion [8, 9]. If SLI is not the mechanism that generated silicic magmas on the Moon then alternative processes such as fractional crystallization (only crystal-liquid separation) or partial melting should be considered as viable possibilities to be tested.

Mills, Ryan D.↗
DOE OSTI2023

Nanocrystal‐Enabled Perovskite Heterojunctions in Photovoltaic Applications and Beyond

Abstract Heterojunctions are used to tailor the properties of semiconductors in optoelectronic devices, yet for emerging devices composed of metal halide perovskites, fabricating perovskite/perovskite heterojunctions has proved challenging due to solvent incompatibilities and rapid homogenization due to ion migration. Recent studies have demonstrated various strategies for using perovskite nanocrystals as a component to fabricate perovskite/perovskite heterojunctions, either with a perovskite thin film or a second nanocrystal layer. Heterojunctions such as these can impart many advantages of both bulk and nanocrystalline perovskite morphologies. This perspective focuses on recent developments of solution‐processed perovskite heterojunctions for solar cells and novel optoelectronic devices, in particular, highlighting the demonstrated and potential advantages of nanocrystal‐enabled fabrication strategies. A central tenet of this perspective is that the synthesis and dispersion of perovskite nanocrystals in non‐polar organic solvents offers a key processing advantage over traditional perovskite precursor solutions in polar solvents since the former allows for layer‐by‐layer deposition without dissolving an underlying perovskite film or crystal. This processing advantage, coupled with nanocrystal size control and ligand chemistry, enables perovskite heterojunctions with highly tunable optical and electrical properties. Such heterojunctions may enable disruptive technological advances in broad classes of devices such as solar cells, photodetectors, sensors, and (in)coherent photon sources with tunable polarization.

14 SOLAR ENERGY↗
DOE OSTI2022

The Gaussian nature of the band-edge of ZnO microcrystalline thin films

A straightforward analytical approach based on the derivative of the absorption coefficient is presented, which enables probing the nature of the band edge (BE) of ZnO microcrystalline films. The study was conducted via transmission experiments at temperatures of 77–532 K and repeated for samples annealed up to 1073 K. It was found that the derivative of the natural log of the BE absorption coefficient resulted in a Gaussian function. The Gaussian linewidth is used in the electron–phonon (e–p) interaction model to characterize the defect-state of the films. The BE of the as-grown film was found to exhibit no thermal dependence and no e–p coupling, indicative of a disordered crystal. Upon annealing and improvement of the film quality, the thermal phonons became more activated, but only above room temperature with a phonon energy of ~75 meV, while up to room temperature, the impact of phonons on the BE is insignificant. A disorder–order transition was determined to take place at an annealing temperature of ~673 K. X-ray diffraction concurs with these results. The study indicates that the prevalent defects are of structural nature due to the inherent granular morphology of the films. This defect was found to dominate the behavior of the BE even at the elevated temperature regime rather than thermal phonons.

36 MATERIALS SCIENCE↗
DOE OSTI2024

From irregular to regular eutectic growth in the Al-Al 3 Ni system: In situ observations during directional solidification

Here we investigate the irregular eutectic growth dynamics of the Al-Al 3 Ni alloy, in which one of the solid phases (Al 3 Ni) grows faceted from the liquid. Leveraging in situ optical microscopy and synchrotron transmission x-ray microscopy, we address the question of the degree of coupling between Al and Al 3 Ni at the growth front and that of the shape of the microstructures left behind in the bulk solid during directional solidification. Real-time optical observations bring evidence for a morphological transition from a eutectic-grain dependent, irregular eutectic growth at low solidification velocity V (typically 1 μm s -1 ), to a weakly anisotropic, regular growth at higher V ( reaching 10 μm s -1 ). Unprecedented x-ray nano-imaging of the solid–liquid interface, and 3D characterization of the growth patterns, were made possible by a new DS setup at Brookhaven National Laboratory’s NSLS-II. At low V, the leading tips of partly faceted Al 3 Ni crystals are observed to grow not far ahead of the Al growth front. Correlating in situ images and postmortem 3D tomographic reconstructions reveals that the presence of faceted and non-faceted regions of Al 3 Ni crystals in the solid is a direct consequence of coupling and decoupling during DS, respectively. Upon increasing V, the lead distance of Al 3 Ni vanishes, and the shape of Al 3 Ni ceases to be governed by faceted growth. These observations cast light onto the basic mechanisms (faceted growth, diffusive coupling, and the dynamics of trijunctions) governing a faceted to rod-like transition upon increasing V in the Al 3 Ni system, with broad implications to a large class of irregular eutectics.

36 MATERIALS SCIENCE↗