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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Phase-Selective Epitaxial Growth of Heterophase Nanostructures on Unconventional 2H-Pd Nanoparticles

Heterostructured, including heterophase, noble-metal nanomaterials have attracted much interest due to their promising applications in diverse fields. However, great challenges still remain in the rational synthesis of well-defined noble-metal heterophase nanostructures. Furthermore, we report the preparation of Pd nanoparticles with an unconventional hexagonal close-packed (2H type) phase, referred to as 2H-Pd nanoparticles, via a controlled phase transformation of amorphous Pd nanoparticles. Impressively, by using the 2H-Pd nanoparticles as seeds, Au nanomaterials with different crystal phases epitaxially grow on the specific exposed facets of the 2H-Pd, i.e., face-centered cubic (fcc) Au (fcc-Au) on the (002)h facets of 2H-Pd while 2H-Au on the other exposed facets, to achieve well-defined fcc-2H-fcc heterophase Pd@Au core–shell nanorods. Moreover, through such unique facet-directed crystal-phase-selective epitaxial growth, a series of unconventional fcc-2H-fcc heterophase core–shell nanostructures, including Pd@Ag, Pd@Pt, Pd@PtNi, and Pd@PtCo, have also been prepared. Impressively, the fcc-2H-fcc heterophase Pd@Au nanorods show excellent performance toward the electrochemical carbon dioxide reduction reaction (CO 2 RR) for production of carbon monoxide with Faradaic efficiencies of over 90% in an exceptionally wide applied potential window from –0.9 to –0.4 V (versus the reversible hydrogen electrode), which is among the best reported CO 2 RR catalysts in H-type electrochemical cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Multicomponent Nanoparticle Synthesis for Advanced Manufactured Melt Wire Development

Additive manufacturing (AM) based direct-write technologies have emerged as a predominant enabler for the fabrication of advanced passive sensors in-pile applications. This work continues previous efforts with the modification and optimization of synthesis methods for multi-component nanoparticle systems used to support the development, fabrication and testing of AM sensors for peak temperature detection. For this report, bismuth, bismuth/platinum, tin, tin/silver, tin/zinc, indium, and indium/silver bi-metallic nanoparticles were synthesized using the wet chemical methods. The nanoparticles were then characterized with x-ray fluorescence to evaluate the elemental composition and differential scanning to determine the melting point and mass loss of the samples. Results continue to show that bi-metallic nanoparticles are a viable pathway for the fabrication of high-resolution AM melt wires.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Solution‐Phase Metathesis of Li 3 N and FeCl 3 to Synthesize Fe 2 N/Fe 3 N Nanoparticles

Soft magnetic materials play key roles in the flow of energy in electrically driven machines and power conversion electronics, and there is a great need for improvements in their magnetic properties to provide the right combination of high saturation magnetization, low coercivity, and high permeability. Most phases of iron nitride (Fe x N) are soft magnetic materials with these characteristics, but they exist as numerous phases which are not all stoichiometric compounds. While the production and magnetic properties of the different phases of bulk iron nitride are well known, accessing phase‐pure nanoscale iron nitride consistently remains a challenge. Most methods for the synthesis of iron nitride nanoparticles require complicated apparatus to achieve high‐temperature nitriding of nanoparticle precursors with gaseous nitrogen sources such as ammonia. The first solution‐phase metathesis reaction between FeCl 3 and Li 3 N in oleylamine is developed to directly synthesize Fe 2 N/Fe 3 N nanoparticles, requiring only a fume hood, glove box, standard chemistry laboratory glassware, and equipment. Finally, the ≈10–15 nm spheres display nearly soft magnetic behavior with a saturation magnetization ≈50–60 A m 2 kg −1 , coercivities between 40–50 kA m −1 , and susceptibility values from 0.0001–0.0006 m 3 kg −1 , well within the ranges reported with other published Fe x N nanoparticle synthesis methods.

iron nitride↗
DOE OSTI2024

Nanocompression of 20 nm Silver Nanoparticles: In situ Aberration‐Corrected TEM and Atomistic Simulations

Single‐crystalline nanoparticles play an increasingly important role in a wide variety of fields including pharmaceuticals, advanced materials, catalysts for fuel cells, energy materials, as well as environmental detection and monitoring. Yet, the deformation mechanisms of very small nanoparticles are still poorly understood, in particular the role played by single dislocations and their interaction with surfaces. Here, in this work, silver nanoparticles with particularly small dimensions (≈20 nanometers in diameter) are compressed in situ in an aberration‐corrected transmission electron microscopy (TEM) and molecular dynamics (MD) simulations. During compression, the emergence of both dislocations and nanotwins are observed. However, these defects prove to be unstable and disappear upon removal of the indenter. Atomistic simulations confirm the role played by image stresses associated with the nearby surfaces and the reduction in dislocation line length as it approaches the free surface, thereby supporting the experimental observations. These results provide justification for the frequent observation of the absence of dislocations in nanoparticles of a few nanometers in size during in situ experiments, even after significant deformation. This phenomenon contributes to the self‐healing of samples through dislocation ejection toward the surfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Nanoparticles for targeted cancer radiotherapy

Radiotherapy, where ionizing radiation is locally delivered either through an external beam or by surgically implanting radionuclide-based seeds in the tumor, is one of the gold standard treatments for cancer. Due to the non-selective nature of radiation, healthy tissue surrounding the cancerous region is usually affected by the treatment. Hence, new strategies, including targeted alpha therapy, are being studied to improve the selectivity of the treatment and minimize side effects. Several challenges, however, limit the current development of targeted radiotherapy, such as the functionalization of the therapeutic agent with targeting vectors and controlling the release of recoiling daughters. Nanoparticles offer unique opportunities as drug delivery vehicles, since they are biocompatible, enhance the cellular uptake of drugs, and are easily functionalized with targeting molecules. In this review, we examine how nanoparticles can be used for targeted radiotherapy, either as sensitizers of external beams or as delivery vehicles for therapeutic radionuclides. Further, we describe the clinical relevance of different types of nanoparticles, followed by an analysis of how these nanoconstructs can solve some of the main limitations of conventional radiotherapy. Finally, we critically discuss the current situation of nanoparticle-based radiotherapy in clinical settings and challenges that need to be overcome in the future for further development of the field.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Nanoparticle-enhanced absorptivity of copper during laser powder bed fusion

We report laser powder bed fusion (LPBF) of pure copper for thermal and electrical applications is hampered by its low near-infrared absorptivity and high thermal diffusivity. These material properties make it very difficult to localize the thermal energy needed to produce high density 3D printed parts. Modification of metal powders via nanoparticle additives is a promising approach to increasing absorptivity, but the effect of nanoparticles on absorptivity and melting behavior during LPBF is not well understood. In this study, we developed an in situ calorimetry system to measure effective absorptivity during LPBF on copper substrates. We decorated copper substrates using three nanoparticle systems (CuS, TiB 2 , multilayer graphene flakes) and demonstrated an enhanced absorptivity of the decorated substrates relative to pure copper. Graphene nanoflakes resulted in the highest improved absorption relative to pure copper from 0.09 to 0.48, due to their stability at high laser scanning powers. A thermomechanical model with convective heat transfer provided confidence in the measurements by reproducing the experimental melt pool traces. Full 3D cylindrical prints demonstrated an improvement in relative density of the copper-graphene powder prints (in the range of 0.930–0.992), relative to that of as-purchased copper powder prints (in the range of 0.854–0.972). This work provides a fundamental study of nanoparticle-enabled LPBF of highly reflective metals and demonstrates a viable route for expanding the library of reliably printable metals.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Online ion mobility spectrometry of nanoparticle formation by non-thermal plasma conversion of metal salts in liquid aerosol droplets

The synthesis of nanoparticles by reaction of liquid aerosol droplets containing precursors in a flow-through, atmospheric-pressure, non-thermal plasma offers a continuous, scalable, substrate- and stabilizer-free approach for direct deposition into liquids or onto soft substrates. However, the combination of multiphase and non-equilibrium chemistry makes the process complicated and poorly understood. Here, we present ion mobility spectrometry measurements of liquid water droplets containing silver nitrate passing through an atmospheric-pressure dielectric barrier discharge reactor that allows us to monitor silver nanoparticle formation online for the first time. Mobility diameter distributions were obtained with the plasma on and off, and exhibited a shift, which was related to the degree of conversion of silver nitrate. The silver nanoparticles were also collected and characterized by UV–visible absorbance spectroscopy and transmission electron microscopy to support the online measurements. Importantly, negligible conversion was found when the water was removed by a diffusion dryer, suggesting that the key reducing species are in the liquid phase, such as solvated electrons. Finally, the study demonstrates how ion mobility spectrometry measurements can be applied to provide insight into this approach to nanoparticle synthesis.

42 ENGINEERING↗
DOE OSTI2022

Evidence of a glassy magnetic transition driven by structural disorder in BiFeO 3 nanoparticles

Important effects appear in low and high temperature magnetometry of multiferroic BiFeO 3 (BFO) nanoparticles as sizes are reduced from 105 nm to 18 nm. In these particles, a magnetic transition appears close to 200 K probably associated with a spin reorientation which is absent in bigger particles. At higher temperatures and up to the bulk ferroelectric Curie temperature (1000 K), two additional magnetic transitions can be identified. Around T N 600 K, a size-dependent magnetic transition appears, associated with an antiferromagnetic transition. A model based on atomic vibration instability can describe the variation of T N with nanoparticle size. Furthermore, for certain sizes, the properties are dominated by the glassy state arising from the disorder produced by the formation of a core-shell structure. This implies that the magnetic behavior of nanoparticles is strongly affected by their crystal structure close to the transition temperature. Finally, the structural disorder which couples to the magnetic properties add control to the magnetic and ferroelectric properties of BFO nanoparticles.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Simulation of two nanoparticle melting to understand the conductivity drop of 3D-printed silver nanowires

The future flexible sensor technology will require low-temperature, fast processing 3D printing techniques that will rely heavily on the quality of nanoparticle (NP) Ink. Electrical conductivity has been found to decrease in majority of the 3D printed electronic wires. Herein we report a fundamental understanding in drop of electrical conductivity in processed silver (Ag) line wire, generally found in Ag-nanoparticle Ink, using large-scale atomistic molecular dynamics (MD) simulations of sintering of five different sizes of Ag NPs. To preserve the high conductivity of pure silver wires, the integrity of the pristine face-centered cubic (FCC) crystalline structure must be retained in the processed line wires. Simulations show that the pristine Ag FCC structures of the nanoparticles are not recovered after melting and resolidification, instead, the resolidified material is paracrystaline. The breakdown of pristine FCC structures might be the cause of the drop in conductivity of processed Ag wires. Simulation results suggest that the intermediate size nanoparticles retain highest percentage of the pristine silver face-centered cubic (FCC) structure after pulse treatments. Our results show that the most promising Ag-Ink should contain smaller to medium size silver NPs that can retain FCC structure after 3D printing of the Ag-Ink.

42 ENGINEERING↗
DOE OSTI2020

Rheology and stability of nanoparticle-stabilized CO 2 foam under reservoir conditions

This work investigates the rheology and stability of nanoparticle-stabilized CO 2 foams under reservoir conditions (high temperature and high pressure) for fracturing applications. The effects of different parameters on foam apparent viscosity and foam stability were experimentally investigated including the effects of nanoparticle concentration, salinity, foam quality (Γ), shear rate and temperature. The power law model was applied to calculate foam apparent viscosity owing to its pseudo-plastic behavior, and the changes of foam heights over time were used to evaluate foam stability. Results showed that the CO 2 foam apparent viscosity featured a mountain-shaped curve versus Γ, with the peak apparent viscosity obtained at 70% foam quality. The increase of salinity (up to 11%) in the continuous phase improved both foam stability and rheology. Higher nanoparticle concentration could contribute to better foam stability, but there was a threshold concentration, above which the foam apparent viscosity remained stabilized. The CO 2 foam stabilized by nanoparticles displayed a shear-thickening behavior as the experiment flow rate increased from 6 mL/min to 18 mL/min. Further studies showed that as the total flow rate increased, the CO 2 foam became finer-textured with better stability. Elevated temperatures could undermine foam apparent viscosity and long-term stability. The results of this study could provide guidelines as to the design of foam fracturing systems for field applications.

03 NATURAL GAS↗
DOE OSTI2020

Aggregated nanoparticles: Sample preparation and analysis by atom probe tomography

Atom probe tomography (APT) allows measurement of the three-dimensional structure and composition of materials, but specific sample preparation procedures are required for challenging materials such as aggregates of nanoparticles. Indeed, the presence of porosity within the specimen affects both the stability of the sample and the accuracy of the data. In this work, aggregates of nanoparticles were transferred onto a micromanipulator tip and embedded via electron-beam-assisted deposition of Pt. Successive FIB-millings and Pt-depositions are needed to create suitable APT tips. The 3D reconstruction reveals the presence of 15–20 nm nanoparticles, and massspectral analysis shows the absence of trace elements within the catalyst, thus serving as quality control for the synthesis of nanoparticles with specific compositions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Self-Assembly of Silica Nanoparticles at Water–Hydrocarbon Interfaces: Insights from In Operando Small-Angle X-ray Scattering Measurements and Molecular Dynamics Simulations

To achieve tunable controls on the interactions of siliceous materials in subsurface environments bearing water and hydrocarbons, it is essential to determine the influence of hydrocarbon–water interfaces on the self-assembly of the silica particles. The hydrophilic silica particle have a tendency to aggregate on the water front of the interface. Self-assembly of silica nanoparticles proceeds via the migration of these nanoparticles to the water–hydrocarbon interface followed by aggregation at the interface. Fractal-like morphologies of assembled silica nanoparticles at water–hydrocarbon interfaces are observed. Rapid assembly of the hydrophilic silica nanoparticles at water–hydrocarbon interfaces corresponds to an overall reduction in the surface tension of water–toluene and water–heptane systems. These studies demonstrate the silica aggregation that is the precursor of silica polymerization, or nucleation and growth is influenced by the presence of hydrocarbons in subsurface geologic environments. These insights were derived from in operando ultrasmall and small-angle X-ray scattering (USAXS/SAXS) measurements, cryo-scanning electron microscopy (Cryo-SEM) imaging, and classical molecular dynamics simulations. As a result, these studies are intended to inform current and future efforts aimed at tuning silica reactivity in subsurface geologic environments to enhance permeability, the design and use of silica-based proppants to enhance fractures, and the development of effective strategies to control silica-based scaling behavior in subsurface reservoirs.

42 ENGINEERING↗
DOE OSTI2020

Energetics and Structure of Nickel Atoms and Nanoparticles on MgO(100)

The growth morphology and interfacial energetics of vapor deposited Ni on the MgO(100) surface at 300 and 100 K have been studied using single crystal adsorption calorimetry (SCAC), He + low-energy ion scattering spectroscopy (LEIS), X-ray photoelectron spectroscopy (XPS), and low-energy electron diffraction (LEED). At 300 K, the Ni atoms grow as three-dimensional nanoparticles with a saturation number density of 5 × 10 16 particles/m 2 . The differential heat of adsorption at 300 K increases rapidly with coverage, from 276 (initially) to 311 kJ/mol by 0.4 ML. Thereafter, it slowly increases asymptotically to the sublimation enthalpy of bulk Ni (430 kJ/ml) by 9 ML. The Ni 2p 3/2 XPS peak binding energy at 300 K is initially (i.e., at 0.16 ML) 1.4 eV higher than that for bulk Ni(solid), but it decreases to that value at high coverage. The Ni atoms form a metastable phase at 300 K when in nanoparticles with diameter <2.5 nm, and the adhesion energy of such Ni nanoparticles to MgO(100) was found to be 3.05 J/m 2 . At 100 K, the Ni atoms form single adatoms and then 0.17 nm thick 2D islands at low coverage with fewer Ni-Ni bonds compared to the Ni nanoparticles formed at 300 K. Thus, the initial heat (i.e., for the first ~0.03 ML) is 148 kJ/mol at 100 K, 128 kJ/mol lower than at 300 K, and remains lower for the 2D islands. With increasing coverage at 100 K, the tiny 2D Ni islands grow in size to cover nearly the entire surface before thickening. Lastly, the XPS Ni 2p 3/2 peak binding energy for 0.21 ML Ni on MgO(100) at 100 K is 2.2 eV higher than that for bulk Ni(solid), suggesting charge transfer from Ni to MgO(100) and formation of Ni 2+ at very low coverage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Enhancing CO Oxidation Activity via Tuning a Charge Transfer Between Gold Nanoparticles and Supports

Charge transfer from the supports to nanoparticles at the interface is one of the key factors to determine the catalytic performances of supported nanoparticles. In this work, we revealed that the charge transfer from semiconductor support to Au nanoparticle catalysts enhanced their activity toward CO oxidation. In this work, a novel Au/SiO 2 /Si composite system with precisely controllable SiO 2 layer thickness was fabricated to tune the magnitude of interfacial charge transfer. With the support of X-ray photoelectron spectroscopy and numerical simulations, it was demonstrated that the Schottoky barrier formed across the Au/SiO 2 /Si heterojunction led to negative charge accumulation at the surface of Au nanoparticles, which may be transferred to the antibonding orbitral of adsorbed O 2 molecules to the O-O bonds. This discovery highlights a new perspective in explaining the role of strong metal-support interactions for catalytic reactions and provides a fresh path for designing the next generation of nanocatalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ethylene Hydrogenation Molecular Mechanism on MoC y Nanoparticles

Ethylene hydrogenation catalyzed by MoC y nanoparticles has been studied by means of density functional theory methods and several models. These include MetCar (Mo 8 C 12 ), Nanocube (Mo 14 C 13 ), and Mo 12 C 12 nanoparticles as representatives of experimental MoC y nanostructures. The effect of hydrogen coverage has been studied in detail by considering low-, intermediate-, and high-hydrogen regimes. The calculated enthalpy and energy barriers show that ethylene hydrogenation is feasible on the MetCar, Mo 12 C 12 , and Nanocube but at low, medium, and high hydrogen coverages, respectively. An additional step, related to the H* migration from a Mo to a C site in the nanoparticle, has been found to be the key to establishing the best hydrogenation system. In most cases, the reactions are exothermic, featuring low hydrogenation energy barriers, especially for the Nanocube at high hydrogen coverage. In addition, the calculated adsorption Gibbs free energy shows that, for this system, the C 2 H 4 adsorption is feasible in the 300–400 K temperature range and pressures from 10 –10 to 2 atm. For the hydrogenation steps, calculated transition state theory rates show that the overall process is limited by the first hydrogenation step (C 2 H 4 → C 2 H 5 ) at temperatures of 330–400 K. However, at the lower temperatures of 300–320 K, the reaction rates are comparable for the two steps. The present results indicate that the Mo 14 C 13 Nanocube models of MoC y nanoparticles exhibit appropriate thermodynamic and kinetic features to catalyze ethylene hydrogenation at a high-hydrogen-coverage regime. The present findings provide a basis for understanding the chemistry of active MoC y catalysts, suggest appropriate working conditions for the reaction to proceed, and provide a basis for future experimental studies.

03 NATURAL GAS↗
DOE OSTI2023

C 1 Chemistry on Metal Carbide Nanoparticles: Boosting the Conversion of CO 2 and CH 4

The studies described in this Perspective show that transition metal carbide (TMC) nanoparticles can be very useful for the activation of three molecules located at the heart of C 1 chemistry: H 2 , CH 4 , and CO 2 . They also can play a major role in the trapping and conversion of two major greenhouse gases. A combination of experiment and theory has shed light on the physical and chemical properties of these systems, which can be very different from those of bulk carbides. Molecular clusters of these compounds, which can be inserted inside the cages of zeolites or carbon nanotubes, have unsaturated metal and carbon atoms that frequently work in a cooperative way when dealing with hard-to-activate molecules, such as CH 4 and CO 2 . These molecular clusters can evolve into nanoparticles of small to medium size (<15 nm) that have unique carbon/metal ratios and structures not seen in the bulk metal carbides. Even when their structures are cuts from bulk lattices, the TMC nanoparticles have corner or edge atoms that are active for the cleavage and conversion of C–H and C–O bonds. In this paper, we cover experimental and theoretical studies with well-defined metal carbide nanoparticles prepared by different methods, free and supported on diverse substrates. The Perspective ends with a discussion of current challenges and potential applications.

03 NATURAL GAS↗
DOE OSTI2020

Anomalous Anisotropic Nanoparticle Aggregation in Cu 2 (OH) 3 Br Gels

Aerogels are of interest for their ability to uniformly incorporate nanoscale features into macroscopic assemblies, which enabled applications that require low density, high surface area, and/or bicontinuous networks. The structure of the nanoporous network is intrinsically linked to the macroscopic properties of aerogels. Hence, control of this structure is of paramount importance. Small-angle X-ray scattering (SAXS) is used here to monitor nanoparticle aggregation in situ in Cu 2 (OH) 3 Br aerogels formed via epoxide-assisted gelation. Anomalous anisotropic aggregation is observed in the absence of templating agents and is attributed to the molecular structure of the inorganic nanoparticles themselves. This is a fundamental departure from the models currently used to describe traditional inorganic sol–gel chemistry where nanoparticles are believed to undergo isotropic diffusion- and/or kinetically limited aggregation. Time-resolved SAXS indicates that Cu 2 (OH) 3 Br nanoparticles nucleate rapidly from solution to form unbranched chain-like aggregates rather than branched mass-fractal aggregates. Sizes of primary particles (~1.5 nm) and the chain-like structure of their aggregates are independent of particle concentration (gel density), while rates of particle aggregation, gelation time, and aggregate size are strongly dependent upon particle concentration, which implies that the chemistry of particle formation and the physics of particle aggregation are independent processes. Because the conditions necessary for creating anisotropic structures are not unique to Cu 2 (OH) 3 Br, these results could provide insight into the structure and gelation mechanisms of other inorganic aerogels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Two-Stage Assembly of Nanoparticle Superlattices with Multiscale Organization

Self-assembly processes, while promising for enabling the fabrication of complexly organized nanomaterials from nanoparticles, are often limited in creating structures with multiscale order. These limitations are due to difficulties in practically realizing the assembly processes required to achieve such complex organizations. For a long time, a hierarchical assembly attracted interest as a potentially powerful approach. However, due to the experimental limitations, intermediate-level structures are often heterogeneous in composition and structure, which significantly impacts the formation of large-scale organizations. Here, we introduce a two-stage assembly strategy: DNA origami frames scaffold a coordination of nanoparticles into designed 3D nanoclusters, and then these clusters are assembled into ordered lattices whose types are determined by the clusters’ valence. Through modulating the nanocluster architectures and intercluster bindings, we demonstrate the successful formation of complexly organized nanoparticle crystals. To conclude, the presented two-stage assembly method provides a powerful fabrication strategy for creating nanoparticle superlattices with prescribed unit cells.

36 MATERIALS SCIENCE↗