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At least 793 records · Page 44

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DOE OSTI2013

Surface strain engineering through Tb doping to study the pressure dependence of exciton-phonon coupling in ZnO nanoparticles

A compressive hydrostatic strain has been found to develop in the ZnO lattice as a result of accumulation of Tb ions on the surface of the nanoparticles for Tb mole-fraction less than 0.04. This hydrostatic strain can be controlled up to ≈14 GPa by varying the Tb mole-fraction. Here, we have utilized this novel technique of surface strain engineering through Tb doping for introducing hydrostatic compressive strain in the lattice to study the pressure dependent electronic and vibrational properties of ZnO nanoparticles. Our study reveals that when subjected to pressure, nanoparticles of ZnO behave quite differently than bulk in many aspects. Unlike bulk ZnO, which is reported to go through a wurtzite to rock-salt structural phase transition at ≈8 GPa, ZnO nanoparticles do not show such transition and remain in wurtzite phase even at 14 GPa of pressure. Furthermore, the Grüneisen parameters for the optical phonon modes are found to be order of magnitude smaller in ZnO nanoparticles as compared to bulk. Our study also suggests an increase of the dielectric constant with pressure, which is opposite to what has been reported for bulk ZnO. Interestingly, it has also been found that the exciton-phonon interaction depends strongly upon pressure in this system. The exciton-phonon coupling has been found to decrease as pressure increases. A variational technique has been adopted to theoretically calculate the exciton-LO phonon coupling coefficient in ZnO nanoparticles as a function of pressure, which shows a good agreement with the experimental results. These findings imply that surface engineering of ZnO nanoparticles with Tb could indeed be an efficient tool to enhance and control the optical performance of this material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2013

Magnesium oxide nanoparticles on green activated carbon as efficient CO{sub 2} adsorbent

This study was focused on carbon dioxide (CO{sub 2}) adsorption ability using Magnesium oxide (MgO) nanoparticles and MgO nanoparticles supported activated carbon based bamboo (BAC). The suitability of MgO as a good CO{sub 2} adsorbent was clarified using Thermodynamic considerations (Gibbs-Helmholtz relationship). The ΔH and ΔG of this reaction were − 117.5 kJ⋅mol{sup −1} and − 65.4 kJ⋅mol{sup −1}, respectively, at standard condition (298 K and 1 atm). The complete characterization of these adsorbent were conducted by using BET, XRD, FTIR, TEM and TPD−CO{sub 2}. The surface areas for MgO nanoparticles and MgO nanoparticles supported BAC were 297.1 m{sup 2}/g and 702.5 m{sup 2}/g, respectively. The MgO nanoparticles supported BAC shown better physical and chemical adsorption ability with 39.8 cm{sup 3}/g and 6.5 mmol/g, respectively. The combination of MgO nanoparticle and BAC which previously prepared by chemical method can reduce CO{sub 2} emissions as well as better CO{sub 2} adsorption behavior. Overall, our results indicate that nanoparticles of MgO on BAC posses unique surface chemistry and their high surface reactivity coupled with high surface area allowed them to approach the goal as an efficient CO{sub 2} adsorbent.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Field effect on digestive ripening of thiol-capped gold nanoparticles

We studied the digestive ripening of thiol-capped gold nanoparticles under simultaneous action of electric field and reflux heating in a silicone oil bath at 130 °C, using transmission electron microscopy. Observation revealed that a polydispersed gold nanoparticle system reached the state of nearly monodispersity under the action of an electric field and the thiol-capped gold nanoparticles carried negative charges. The electric field caused the increase of the particle size for the nearly monodispersed gold nanoparticle system. The self-assembly of the nearly monodisperse gold nanoparticles under the action of an electric field of a high field intensity was observed. The gold nanoparticles tended to form self-assembled nanostructures of six-fold symmetry. This study provides a new route for system engineering to control the particle size of metallic nanoparticles by electric field and digestive ripening.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2014

Size and alloying induced shift in core and valence bands of Pd-Ag and Pd-Cu nanoparticles

In this report, X-ray photoelectron spectroscopy studies have been carried out on Pd, Ag, Cu, Pd-Ag, and Pd-Cu nanoparticles having identical sizes corresponding to mobility equivalent diameters of 60, 40, and 20 nm. The nanoparticles were prepared by the gas phase synthesis method. The effect of size on valence and core levels in metal and alloy nanoparticles has been studied by comparing the values to those with the 60 nm nanoparticles. The effect of alloying has been investigated by comparing the valence and core level binding energies of Pd-Cu and Pd-Ag alloy nanoparticles with the corresponding values for Pd, Ag, and Cu nanoparticles of identical sizes. These effects have been explained in terms of size induced lattice contractions, alloying induced charge transfer, and hybridization effects. The observation of alloying and size induced binding energy shifts in bimetallic nanoparticles is important from the point of view of hydrogen reactivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Size dependent structural, vibrational and magnetic properties of BiFeO{sub 3} and core-shell structured BiFeO{sub 3}@SiO{sub 2} nanoparticles

Bulk BiFeO{sub 3}, BiFeO{sub 3} nanoparticles and core-shell structured BiFeO{sub 3}@SiO{sub 2} nanoparticles were synthesized by solid state reaction method, sol-gel and Stöber process (SiO{sub 2} shell) respectively. Transmission electron microscopy image confirmed the core-shell structure of BiFeO{sub 3}@SiO{sub 2} nanoparticles with BiFeO3 core ∼50-90 nm and SiO{sub 2} shell ∼16 nm. X-ray diffraction and FTIR spectroscopy results showed the presence of distorted rhombohedral structure with R3c space group in all three samples. The magnetic measurement indicated the existence of room-temperature weak ferromagnetism in core-shell BiFeO{sub 3}@SiO{sub 2} nanoparticles and BiFeO3 nanoparticles, whereas bulk BiFeO{sub 3} showed antiferromagnteic nature. Electron Spin Resonance results confirmed the enhancement in magnetic properties of coreshell structured BiFeO{sub 3}@SiO{sub 2} nanoparticles in comparison with BiFeO{sub 3} nanoparticles and bulk BiFeO{sub 3}.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2018

Curvature dependence of the effect of ionic functionalization on the attraction among nanoparticles in dispersion

Solubilization of nanoparticles facilitates nanomaterial processing and enables new applications. An effective method to improve dispersibility in water is provided by ionic functionalization. We explore how the necessary extent of functionalization depends on the particle geometry. Using molecular dynamics/umbrella sampling simulations, we determine the effect of the solute curvature on solvent-averaged interactions among ionizing graphitic nanoparticles in aqueous dispersion. We tune the hydrophilicity of molecular-brush coated fullerenes, carbon nanotubes, and graphane platelets by gradually replacing a fraction of the methyl end groups of the alkyl coating by the ionizing –COOK or –NH 3 Cl groups. To assess the change in nanoparticles’ dispersibility in water, we determine the potential-of-mean-force profiles at varied degrees of ionization. When the coating comprises only propyl groups, the attraction between the hydrophobic particles intensifies from spherical to cylindrical to planar geometry. This is explained by the increasing fraction of surface groups that can be brought into contact and the reduced access to water molecules, both following the above sequence. When ionic groups are added, however, the dispersibility increases in the opposite order, with the biggest effect in the planar geometry and the smallest in the spherical geometry. These results highlight the important role of geometry in nanoparticle solubilization by ionic functionalities, with about twice higher threshold surface charge necessary to stabilize a dispersion of spherical than planar particles. At 25%–50% ionization, the potential of mean force reaches a plateau because of the counterion condensation and saturated brush hydration. Moreover, the increase in the fraction of ionic groups can weaken the repulsion through counterion correlations between adjacent nanoparticles. High degrees of ionization and concomitant ionic screening gradually reduce the differences among surface interactions in distinct geometries until an essentially curvature-independent dispersion environment is created. Insights into tuning nanoparticle interactions can guide the synthesis of a broad class of nonpolar nanoparticles, where solubility is achieved by ionic functionalization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Exploring the zone of anisotropy and broken symmetries in DNA-mediated nanoparticle crystallization

Significance Nanometer-sized materials (i.e., nanoparticles) can be used as building blocks to construct crystalline materials structured with high resolution. The specific arrangements that nanoparticles form can be controlled by their physical shape and size, as well as the molecules attached to their surfaces (i.e., ligands). In this work, DNA ligands are used as “bonds” whose sequence “encodes” which and how far apart nanoparticles interact with each other. Here, we study how the relative size of nanoparticles and DNA modulates the orientation and structural arrangement of nanoparticles within these crystalline materials and report the specific structural changes that occur for nanoparticles with different shapes. These results provide a roadmap to understand how to build nanoparticle-based materials with DNA.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Synthesis of metallic glass nanoparticles by inert gas condensation

Inert Gas Condensation (IGC) is a versatile method for the synthesis of ultrafine nanoparticles. While it has been mostly used in the synthesis of nanocrystalline particles it has also been employed in the synthesis of metallic glass nanoparticles, which can be further used in the generation of nanostructured metallic glasses, known as nanoglasses. In this work, we use molecular dynamics simulations to investigate the IGC processes leading to the synthesis of Cu 64 Zr 36 amorphous nanoparticles. We investigate the growth of nanoparticles up to 7.3 nm diameter using long simulations of up to 130 ns, under relatively low pressures in the range of 4 to 10 bars. Results indicate a significant effect of pressure on the final structure of the amorphous nanoparticles, yet no clear influence on the segregation of Cu atoms to its surface. Cu segregation occurring at all pressures results in a thin Cu rich layer, about 2.5 Å thick, that coats all nanoparticles. Here, statistics of atomic Voronoi polyhedra shows that the fraction of full icosahedra in the nanoparticles produced at 4 bars is equivalent to that of bulk metallic glasses produced by melt and quench at 10 9 K/s. Higher pressures result in a lower fraction of full icosahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Investigation on hemolytic effect of poly(lactic co-glycolic) acid nanoparticles synthesized using continuous flow and batch processes

Abstract With the increasing interest in polymeric nanoparticles for biomedical applications, there is a need for continuous flow methodologies that allow for the precise control of nanoparticle synthesis. Poly(lactide-co-glycolic) acid (PLGA) nanoparticles with diameters of 220–250 nm were synthesized using a lab-on-a-chip, exploiting the precise flow control offered by a millifluidic platform. The association and the effect of PLGA nanoparticles on red blood cells (RBCs) were compared for fluorescent PLGA nanoparticles made by this novel continuous flow process using a millifluidic chip and smaller PLGA nanoparticles made by a batch method. Results indicated that all PLGA nanoparticles studied, independent of the synthesis method and size, adhered to the surface of RBCs but had no significant hemolytic effect at concentrations lower than 10 mg/ml.

Libi, Sumit↗

DOE OSTI2015

Rigid Biopolymer Nanocrystal Systems for Controlling Multicomponent Nanoparticle Assembly and Orientation in Thin Film Solar Cells. Final Report

The focus of the proposed research is to direct the assembly of single or binary nanoparticles into meso- or macroscale three-dimensional crystals of any desired configuration and crystallographic orientation without using prohibitively expensive lithographic processes. The epitaxial nucleation of defect-free, surface-bound bulk single crystals will revolutionize technologies for energy to generate new types of solar cells that yield maximum conversion efficiencies. It has been proposed that having a nanostructured bulk hetero-interface will enable efficient charge-carrier separations, similar to organic based heterojunction cells but with potential improvements, including thermal and long-term stability, tunability of energy levels, large adsorption coefficients and carrier multiplication. However, engineering such devices requires nanoscale control and ordering in both 2- and 3-dimensions over macroscopic areas and this has yet to be achieved. In Nature, bulk organic and inorganic materials are arranged into precise and ordered programmed assemblies through the sequestration of raw materials into confined spaces and association through highly specific non-covalent interactions between biomolecules. Using similar strategies, the proposed research will focus on confining metal and semiconductor nanocrystals to pre-determined surface patterns and controlling their arrangement through tunable, orthogonal biomolecular binding. Once a perfect two-dimensional seed layer has been constructed, successive layers of single nanocrystals will be nucleated epitaxially with long-range order and tunable crystallographic orientations. The proposed research exploits the ability of biomolecules to bind specific targets in a tunable, orthogonal, multivalent, and reversible manner to the arrangements of DNA-nanoparticle conjugates on chemically defined surfaces. Through careful balance of the attractive and repulsive forces between the particles, the array, and the outside surface, it is envisioned that single or mixed nanoparticles can be packed to adopt uniform crystal orientation in two and three dimensions from simple mixing and annealing of biomolecule-nanoparticle conjugates with biomolecule-stamped surfaces. To control the crystallographic alignment of each particle with its neighbors, the nanoparticles will be assembled using a mixture of non-covalent biomolecular interactions. To create solar cells in which layers of donor and acceptor nanocrystals that are not only oriented normal to the top and bottom electrodes but are also arranged in a checkerboard pattern, multicomponent nanocrystals (e.g. CdSe, CdTe) will be conjugated with biochemical linkers such that only interactions between the CdTe and CdSe promote particle packing within the array. The proposed research will: (1) elucidate the role of single and binary cooperative particle-DNA interactions in influencing nanoparticle crystallographic orientation in two and three dimensions; (2) understand how confinement of nanoparticles on patterned arrays of biomolecules and modification of the surrounding substrate can nucleate long-range order over macroscopic areas via predefined grain boundaries; and (3) synthesize and characterize DNA conjugated semiconductor nanocrystals and assemble them into 2- and 3-D binary superlattice arrays for photovoltaics.

14 SOLAR ENERGY↗

NASA NTRS2002

Carbon Materials Embedded with Metal Nanoparticles as Anode in Lithium-Ion Batteries

Carbon materials containing metal nanoparticles that can form an alloy with lithium were tested for their capacity and cycle life to store and release lithium electrochemically. Metal nanoparticles may provide the additional lithium storage capacity as well as additional channels to conduct lithium in carbon. The cycle life of this carbon-metal composite can be long because the solid-electrolyte interface (SEI) on the carbon surface may protect both lithium and the metal particles in the carbon interior. In addition, the voids in the carbon interior may accommodate the nanoparticle's volume change, and such volume change may not cause much internal stress due to small sizes of the nanoparticles. This concept of improving carbon's performance to store and release lithium was demonstrated using experimental cells of C(Pd)/0.5M Lil-50/50 (vol.%) EC and DMC/Li, where C(Pd) was graphitized carbon fibers containing palladium nanoparticles, EC was ethylene carbonate, and DMC was dimethyl carbonate. However, such improvement was not observed if the Pd nanoparticles are replaced by aluminum, possibly because the aluminum nanoparticles were oxidized in air during storage, resulting in an inert oxide of aluminum. Further studies are needed to use this concept for practical applications.

Hung, Ching-cheh↗

NASA NTRS2007

Strengthening Aluminum Alloys for High Temperature Applications Using Nanoparticles of Al203 and Al3-X Compounds (X= Ti, V, Zr)

In this paper the effect of nanoparticles A12O3 and A13-X compounds (X= Ti, V, Zr) on the improvement of mechanical properties of aluminum alloys for elevated temperature applications is presented. These nanoparticles were selected based on their chemical stability and low diffusions rates in aluminum matrix at high temperatures. The strengthening mechanism for aluminum alloy is based on the mechanical blocking of dislocation movements by these nanoparticles. Samples were prepared from A12O3 nanoparticle preforms, which were produced using ceramic injection molding process and pressure infiltrated by molten aluminum. A12O3 nanoparticles can also be homogeneously mixed with aluminum powder and consolidated into samples through hot pressing and sintering. On the other hand, the Al3-X nanoparticles are produced as precipitates via in situ reactions with molten aluminum alloys using conventional casting techniques. The degree of alloy strengthening using nanoparticles will depend on the materials, particle size, shape, volume fraction, and mean inter-particle spacing.

Lee, Jonathan A.↗

NASA NTRS2007

Nanoparticles modified with multiple organic acids

Surface-modified nanoparticles of boehmite, and methods for preparing the same. Aluminum oxyhydroxide nanoparticles are surface modified by reaction with selected amounts of organic acids. In particular, the nanoparticle surface is modified by reactions with two or more different carboxylic acids, at least one of which is an organic carboxylic acid. The product is a surface modified boehmite nanoparticle that has an inorganic aluminum oxyhydroxide core, or part aluminum oxyhydroxide core and a surface-bonded organic shell. Organic carboxylic acids of this invention contain at least one carboxylic acid group and one carbon-hydrogen bond. One embodiment of this invention provides boehmite nanoparticles that have been surface modified with two or more acids one of which additional carries at least one reactive functional group. Another embodiment of this invention provides boehmite nanoparticles that have been surface modified with multiple acids one of which has molecular weight or average molecular weight greater than or equal to 500 Daltons. Yet, another embodiment of this invention provides boehmite nanoparticles that are surface modified with two or more acids one of which is hydrophobic in nature and has solubility in water of less than 15 by weight. The products of the methods of this invention have specific useful properties when used in mixture with liquids, as filler in solids, or as stand-alone entities.

Cook, Ronald Lee↗

DOE OSTI2012

Thermally stable nanoparticles on supports

An inverse micelle-based method for forming nanoparticles on supports includes dissolving a polymeric material in a solvent to provide a micelle solution. A nanoparticle source is dissolved in the micelle solution. A plurality of micelles having a nanoparticle in their core and an outer polymeric coating layer are formed in the micelle solution. The micelles are applied to a support. The polymeric coating layer is then removed from the micelles to expose the nanoparticles. A supported catalyst includes a nanocrystalline powder, thin film, or single crystal support. Metal nanoparticles having a median size from 0.5 nm to 25 nm, a size distribution having a standard deviation .ltoreq.0.1 of their median size are on or embedded in the support. The plurality of metal nanoparticles are dispersed and in a periodic arrangement. The metal nanoparticles maintain their periodic arrangement and size distribution following heat treatments of at least 1,000.degree. C.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2013

Method for forming thermally stable nanoparticles on supports

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2022

pH-sensitive nanoparticles for detecting and preventing food spoilage

Nanoparticles and compositions thereof are provided for detecting and/or preventing food spoilage. Methods of making the nanoparticles and compositions, and methods of using the nanoparticles and compositions, e.g. in food packaging, are also provided. The nanoparticles can have a hydrophobic core containing a hydrophobic active agent, e.g. a hydrophobic dye and/or an antimicrobial agent, for detecting and/or preventing food spoilage. The nanoparticles can also have a copolymer of a hydrophobic polymer repeat unit, e.g. styrene or lactic acid, and a pH responsive dendrimer repeat unit. The pH responsive dendrimer repeat unit can have a pH responsive amine core having a plurality of branched acrylate arms extending therefrom. The nanoparticles can be chemically stable at neutral pH, and then release the hydrophobic active agent at a pH range indicative of food spoilage. By releasing the hydrophobic dye and/or antimicrobial agent, the nanoparticles can detect and/or inhibit food spoilage.

Tong, Zhaohui↗

DOE OSTI2024

Modulating the Contact Angle between Nonpolar Polymers and SiO 2 Nanoparticles

Polymer–nanoparticle interactions play an important role in determining the morphology and properties of polymer nanocomposites and controlling the polymeric reactions involving heterogeneous catalysts. Here, in this study, we modulate the interactions between nonpolar polymers and nanoparticles by modifying the nanoparticle surface chemistry and quantify the interaction strength through direct contact angle measurements. We investigate the interactions of three nonpolar polymers, polystyrene, polyethylene, and polycyclooctene, with silica nanoparticles whose surface chemistry has been modified by atomic layer deposition of titania and calcium carbonate and by alkyl silanization. Significant differences in polymer–nanoparticle interactions are observed, which can be attributed to differences in the polarizability of the polymers and oxide surface composition. Compared to fully hydrogenated polycyclooctene, polycyclooctene is shown to have stronger interactions with most metal oxides; however, this trend is reversed following alkyl silanization of the silica nanoparticles, which makes the surface of the particles less polar. These differences in interactions can be leveraged to make polymer nanocomposites with unique properties and enable the selective conversion of polymers without the need for separations.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Enhanced Tunability of Gold Nanoparticle Size, Spacing, and Shape for Large-Scale Plasmonic Arrays

Gold nanoparticles are important constituents in plasmonic arrays, lending themselves to electronic, optical, biomedical, sensing, and catalytic applications, among numerous others. Process variables that must be controlled when engineering plasmonic nanoparticle ensembles include nanoparticle size, shape, and spatial distribution on surfaces. The challenge in generating arrays of nanoparticles with control over these three parameters increases dramatically as spatial requirements for uniformity extend to larger processing areas. In this paper, we present a procedure that exploits thermally driven solid-state diffusional dewetting to yield considerable flexibility in generating ensembles of gold nanoparticles. Such submelting dewetting introduces fine control over particle spatial features that are currently difficult to achieve through conventional methods of generating nanoparticle arrays. Because of the simplicity of the process and its area-scalability, solid-state diffusional dewetting is shown here to be a method that could be easily scaled up to apply to large-area plasmonic fabrication processes.

36 MATERIALS SCIENCE↗