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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Radiation effects on optical and structural properties of GG17 Glasses induced by 170 keV electrons and protons

The effects of 170 keV electron and proton irradiation are investigated on the optical property and the structure of GG17-type borosilicate glasses for the purpose of assessing the suitability of this material for the rubidium lamp envelope, based on GEANT4 simulating calculation, using electron paramagnetic resonance and Fourier transform infrared spectra and optical-transmittance measurements. The Micro-mechanisms on damage of GG17 Glasses are clarified for electron and proton, respectively. For the electron with the energy of 170 keV, defect creation is due to ionization energy losses and the center is mainly boron oxygen hole center (BOHC) formed by one hole trapped on a bridge oxygen structure with [BO{sub 4}]{sup −}. As a result the number of BOHCs grows as the electron fluence increases. However, for the proton with the energy of 170 keV, the creation of structural defects dominates by means of debonding as a result of an atom having been kicked off the structural chain (displacement effect). This leads to the intensive generation of silicon oxygen hole centers, as well as BOHCs, by the holes trapped on non-bridge oxygen.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Bioinspiration in light harvesting and catalysis

Capturing and converting solar energy into fuels and feedstocks is a global challenge that spans numerous disciplines and fields of research. Billions of years of evolution have allowed natural organisms to hone strategies for harvesting light from the sun and storing energy in the form of carbon–carbon and carbon–hydrogen bonds. Photosynthetic antenna proteins capture solar photons and funnel photoexcitations to reaction centres with high yields, and enzymes catalyze multi-electron reactions, facilitating chemical transformations not yet efficiently implemented using artificially engineered catalysts. Researchers in renewable energy often look to nature to understand the mechanisms at work and, if possible, to explore their translation into artificial systems. Here, we review advances in bioinspiration across the fields of biological light harvesting and chemical energy conversion. We examine how multi-photon and multi-electron reactions in biology can inspire new methods in photoredox chemistry to achieve novel, selective and complex organic transformations; how carbonic-dehydrogenase-inspired design principles enable catalytic reactions such as the conversion of CO 2 into useful products such as fuels; and how concepts from photosynthetic antenna complexes and reaction centres can benefit artificial light-harvesting materials. We then consider areas in which bioinspiration could enable advances in the rational design of molecules and materials, the expansion of the synthetic capabilities of catalysts and the valorization of molecular building blocks. Here, we highlight the challenges that must be overcome to realize these advances and propose new directions that may use bioinspiration to achieve them.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Extracellular synthesis of silver nanoparticles using the leaf extract of Coleus amboinicus Lour

Highlights: {yields} Synthesis of AgNPs using the leaf extract of Coleus amboinicus L. was described. {yields} UV-vis absorption spectra showed the formation of isotrophic AgNPs at 437 nm in 6 h. {yields} XRD analysis showed intense peaks corresponding to fcc structure of AgNPs. {yields} HR-TEM analysis revealed the formation of stable anisotrophic and isotrophic AgNPs. -- Abstract: In the present investigation, Coleus amboinicus Lour. leaf extract-mediated green chemistry approach for the synthesis of silver nanoparticles was described. The nanoparticles were characterized by ultraviolet-visible (UV-Vis) spectroscopy, X-ray diffraction (XRD), energy dispersive X-ray analysis (EDAX), Fourier transform infrared spectroscopy (FTIR) and transmission electron microscopy (TEM). The influence of leaf extract on the control of size and shape of silver nanoparticles is reported. Upon an increase in the concentration of leaf extract, there was a shift in the shape of nanoparticles from anisotrophic nanostructures like triangle, decahedral and hexagonal to isotrophic spherical nanoparticles. Crystalline nature of fcc structured nanoparticles was confirmed by XRD spectrum with peaks corresponding to (1 1 1), (2 0 0), (2 2 0) and (3 1 1) planes and bright circular spots in the selected-area electron diffraction (SAED). Such environment friendly and sustainable methods are non-toxic, cheap and alternative to hazardous chemical procedures.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Structural and optical characterization of In{sub 2}O{sub 3}/PANI nanocomposite prepared by in-situ polymerization

Polyaniline-indium oxide (In{sub 2}O{sub 3}/PANI) nanocomposite have been prepared by in-situ polymerization of aniline and as-synthesized In{sub 2}O{sub 3} nanoparticles. X-ray diffraction (XRD), Transmission electron microscopy (TEM), Fourier transformation infrared (FTIR) and UV/Vis spectroscopy techniques are used to investigate the structural and optical properties of In{sub 2}O{sub 3}/PANI nanocomposite. TEM analysis shows In{sub 2}O{sub 3} nanoparticles are embedded in PANI nanofibers. FTIR spectra show the good interactions between PANI nanofibers and In{sub 2}O{sub 3} nanoparticles. The band gap and electronic transitions in In{sub 2}O{sub 3}/PANI nanocomposite is determined by using UV/Vis spectra.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Surface and interlayer base-characters in lepidocrocite titanate: The adsorption and intercalation of fatty acid

While layered double hydroxides (LDHs) with positively-charged sheets are well known as basic materials, layered metal oxides having negatively-charged sheets are not generally recognized so. In this article, the surface and interlayer base-characters of O{sup 2−} sites in layered metal oxides have been demonstrated, taking lepidocrocite titanate K{sub 0.8}Zn{sub 0.4}Ti{sub 1.6}O{sub 4} as an example. The low basicity (0.04 mmol CO{sub 2}/g) and low desorption temperature (50–300 °C) shown by CO{sub 2}− TPD suggests that O{sup 2−} sites at the external surfaces is weakly basic, while those at the interlayer space are mostly inaccessible to CO{sub 2}. The liquid-phase adsorption study, however, revealed the uptake as much as 37% by mass of the bulky palmitic acid (C{sub 16} acid). The accompanying expansion of the interlayer space by ~0.1 nm was detected by PXRD and TEM. In an opposite manner to the external surfaces, the interlayer O{sup 2−} sites can deprotonate palmitic acid, forming the salt (i.e., potassium palmitate) occluded between the sheets. Two types of basic sites are proposed based on ultrafast {sup 1}H MAS NMR and FTIR results. The interlayer basic sites in lepidocrocite titanate leads to an application of this material as a selective and stable two-dimensional (2D) basic catalyst, as demonstrated by the ketonization of palmitic acid into palmitone (C{sub 31} ketone). Tuning of the catalytic activity by varying the type of metal (Zn, Mg, and Li) substituting at Ti{sup IV} sites was also illustrated. - Graphical abstract: Interlayer basic sites in lepidocrocite titanate, K{sub 0.8}Zn{sub 0.4}Ti{sub 1.6}O{sub 4}, lead to an intercalation of palmitic acid with a layer expansion. Display Omitted - Highlights: • K{sub 0.8}Zn{sub 0.4}Ti{sub 1.6}O{sub 4} intercalates palmitic acid, forming the occluded potassium salt. • The interlayer expansion is evidenced by PXRD patterns and TEM image. • Two types of basic sites are deduced from ultrafast {sup 1}H MAS NMR. • Lepidocrocite titanate catalyses ketonization of palmitic acid to palmitone and corresponding cracked products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Effective reduction in the nanoparticle sizes of NiO obtained via the pyrolysis of nickel malonate precursor modified using oleylamine surfactant

Nickel oxide nanoparticles were synthesized via thermal decomposition of two precursors, the first, a simple nickel malonate and the second, a nickel malonate modified by oleylamine, a surfactant, both having been synthesized by precipitation. While FTIR, TGA and ToF-SIMS were used to characterize the two precursors and to show the presence of oleylamine in the modified precursor, XRD, SEM, TEM and BET were employed to investigate the structure, the morphology and the specific surface area of the decomposition products obtained after pyrolysis. The results showed that the modification of nickel malonate by oleylamine was effective. The XRD results, which showed a cubic structure for the NiO obtained, suggest with SEM an important particle size reduction (at least 54%) when oleylamine was used to modify the nickel malonate precursor. The SEM images also showed a well-defined spherical nanoparticle morphology in both cases, not affected by the presence of oleylamine. The TEM also confirmed the reduction of particle size and their spherical nature but at the same time showed that, in the presence of oleylamine, there was no agglomeration resulting in a more uniform particle size distribution. The specific surface area of the NiO obtained by the oleylamine-modified precursor was 4.7 times larger than that obtained with the regular precursor. This again confirms the particle size reduction. - Highlights: • Nickel malonate precursor has been synthesized by precipitation method. • This precursor was successfully modified by a surfactant (oleylamine). • NiO was identified as the decomposition products of the previous precursors. • Oleylamine has provoked around 54% of particle size reduction of the NiO.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Electron beam induced evolution in Au, Ag, and interfaced heterogeneous Au/Ag nanoparticles

Sintering and sublimation process of nanoparticles made of Ag, Au, and interfaced Ag/Au heterodimers has been investigated by in-situ transmission electron microscopy at room temperature. Such process is driven by the illumination of high-energy electron beam accelerated at 200kV that promotes atom diffusion in the physically contacted nanoparticles. Upon electron illumination, adjacent Au nanoparticles gradually merge together to form a larger particle along with the reduction of surface area despite that orientated attachment is not observed. The nanoparticle fusion process is significantly different from the well-established thermal diffusion mechanism. In addition to the similar fusion process, Ag nanoparticles undergo apparent sublimation because the transferred energy from electron beam to nanoparticles is higher than the surface binding energy of Ag atoms when the electron scattering angle is larger than 112°. The electron beam illumination can transform the interfaced Au/Ag dimers to Au@Ag core-shell particles followed by a slow sublimation of the Ag shells. Both diffusion and sublimation of Ag atoms are dependent on the intensity of electron beam, i.e., higher beam intensity is favorable to accelerate both process.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Influence of the microstructure on the resulting 18R martensitic transformation of polycrystalline Cu−Al−Zn thin films obtained by sputtering and reactive annealing

We report the influence of the microstructure on the martensitic transformation in polycrystalline Cu−Zn−Al thin films with 18R structure. The films are grown in two steps. First, Cu−Al thin films are obtained by DC sputtering. Second, the Zn is introduced in the Cu−Al thin films by the annealing them together with a bulk Cu−Zn−Al reference. The crystalline structure of the films was analyzed by X-ray diffraction and transmission electron microscopy. The martensitic transformation temperature was measured by electrical transport using conventional four probe geometry. It was observed that temperatures above 973 K are necessary for zincification of the samples to occur. The resulting martensitic transformation and its hysteresis (barrier for the transformation) depend on the grain size, topology and films thickness. - Highlights: • Polycrystalline Cu−Al−Zn thin films with nanometric grain size are sintered. • Influence of thermal annealing process on the microstructure is analyzed. • Martensitic transformation of Cu−Al−Zn thin films is strongly affected by the microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Atomic-scale in situ observation of electron beam and heat induced crystallization of Ge nanoparticles and transformation of Ag@Ge core-shell nanocrystals

Crystallization of amorphous materials by thermal annealing has been investigated for numerous applications in the fields of nanotechnology, such as thin-film transistors and thermoelectric devices. The phase transition and shape evolution of amorphous germanium (Ge) and Ag@Ge core–shell nanoparticles with average diameters of 10 and 12 nm, respectively, were investigated by high-energy electron beam irradiation and in situ heating within a transmission electron microscope. The transition of a single Ge amorphous nanoparticle to the crystalline diamond cubic structure at the atomic scale was clearly demonstrated. Depending on the heating temperature, a hollow Ge structure can be maintained or transformed into a solid Ge nanocrystal through a diffusive process during the amorphous to crystalline phase transition. Selected area diffraction patterns were obtained to confirm the crystallization process. In addition, the thermal stability of Ag@Ge core–shell nanoparticles with an average core of 7.4 and a 2.1 nm Ge shell was studied by applying the same beam conditions and temperatures. The results show that at a moderate temperature (e.g., 385 °C), the amorphous Ge shell can completely crystallize while maintaining the well-defined core–shell structure, while at a high temperature (e.g., 545 °C), the high thermal energy enables a freely diffusive process of both Ag and Ge atoms on the carbon support film and leads to transformation into a phase segregated Ag–Ge Janus nanoparticle with a clear interface between the Ag and Ge domains. In conclusion, this study provides a protocol as well as insight into the thermal stability and strain relief mechanism of complex nanostructures at the single nanoparticle level with atomic resolution.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Structural phase transition, electronic structure and optical properties of half Heusler alloys LiBeZ (Z = As, Sb)

Ab initio calculations are performed to investigate the structural stability, electronic structure, mechanical properties and optical properties of half Heusler alloys (LiBeAs and LiBeSb) for three different phases of zinc blende crystal structure. Among the considered phases, α- phase is found to be the most stable phase for these alloys at normal pressure. A pressure induced structural phase transition from α-phase to β- phase is observed for LiBeAs. The electronic structure reveals that these alloys are semiconductors. The optical properties confirm that these alloys are semiconductor in nature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Knittable and Washable Multifunctional MXene-Coated Cellulose Yarns

Textile-based electronics enable the next generation of wearable devices, which have the potential to transform the architecture of consumer electronics. Highly conductive yarns that can be manufactured using industrial-scale processing and be washed like everyday yarns are needed to fulfill the promise and rapid growth of the smart textile industry. By coating cellulose yarns with Ti 3 C 2 T x MXene, highly conductive and electroactive yarns are produced, which can be knitted into textiles using an industrial knitting machine. It is shown that yarns with MXene loading of ≈77 wt% (≈2.2 mg cm -1 ) have conductivity of up to 440 S cm -1 . After washing for 45 cycles at temperatures ranging from 30 to 80 °C, MXene-coated cotton yarns exhibit a minimal increase in resistance while maintaining constant MXene loading. The MXene-coated cotton yarn electrode offers a specific capacitance of 759.5 mF cm -1 at 2 mV s -1 . Additionally, a fully knitted textile-based capacitive pressure sensor is also prepared, which offers high sensitivity (gauge factor of ≈6.02), wide sensing range of up to ≈20% compression, and excellent cycling stability (2000 cycles at ≈14% compression strain). This work provides new and practical insights toward the development of platform technology that can integrate MXene in cellulose-based yarns for textile-based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Recovery of the Aharonov-Bohm oscillations in asymmetrical quantum rings

We theoretically investigate suppression and recovery of the Aharonov-Bohm oscillations of the diamagnetic response of electrons (holes) confined in self-assembled In{sub c}Ga{sub 1−c}As/GaAs semiconductor reflection asymmetrical quantum rings. Based on the mapping method and gauge-origin-independent definition for the magnetic vector potential we simulate the energies and wave functions of the electron (hole) under external magnetic and electric fields. We examine the transformation of the ground state wave function of the electron (hole) in reflection asymmetrical rings from localized in one of the potential valleys (dotlike shape of the wave function) to distributed over all volume of the ring (ringlike shape) under an appropriate lateral electric field. This transformation greatly recovers the electron (hole) diamagnetic coefficient and Aharonov-Bohm oscillations of the diamagnetic response of the ring. However, the recovering electric field for the first Aharonov-Bohm diamagnetic oscillation of the electron is a suppressing one for the hole (and vice versa). This can block the recovery of the optical Aharonow-Bohm effect in In{sub c}Ga{sub 1−c}As/GaAs asymmetrically wobbled rings. However, the recovery of the Aharonov-Bohm oscillations for the independent electron (hole) by the external electric field remains interesting and feasible objective for the asymmetric rings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Shape-dependent bactericidal activity of copper oxide nanoparticle mediated by DNA and membrane damage

Highlights: • Spherical and sheet shaped copper oxide nanoparticles were synthesized. • Physical characterizations of these nanoparticles were done by TEM, DLS, XRD, FTIR. • They showed shape dependent antibacterial activity on different bacterial strain. • They induced both membrane damage and ROS mediated DNA damage in bacteria. - Abstract: In this work, we synthesized spherical and sheet shaped copper oxide nanoparticles and their physical characterizations were done by the X-ray diffraction, fourier transform infrared spectroscopy, transmission electron microscopy and dynamic light scattering. The antibacterial activity of these nanoparticles was determined on both gram positive and gram negative bacterial. Spherical shaped copper oxide nanoparticles showed more antibacterial property on gram positive bacteria where as sheet shaped copper oxide nanoparticles are more active on gram negative bacteria. We also demonstrated that copper oxide nanoparticles produced reactive oxygen species in both gram negative and gram positive bacteria. Furthermore, they induced membrane damage as determined by atomic force microscopy and scanning electron microscopy. Thus production of and membrane damage are major mechanisms of the bactericidal activity of these copper oxide nanoparticles. Finally it was concluded that antibacterial activity of nanoparticles depend on physicochemical properties of copper oxide nanoparticles and bacterial strain.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Structural and Magnetic Properties of La-Substituted M-Type Hexagonal Sr–Ni Ferrites Synthesized by Ball-Milling-Assisted Ceramic Process

Sr{sub 0.5}Ni{sub 0.5}La{sub x}Fe{sub 12 − x}O{sub 19} (x = 0, 0.08, 0.16, and 0.24) hexaferrites have been synthesized by ball-milling-assisted ceramic process. The calcined samples are characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared spectra (FTIR), and vibrating sample magnetometry (VSM). XRD reveals that all samples consist of the main M-type hexagonal Sr ferrite phase and a low amount of rhombohedral Fe{sub 2}O{sub 3} as secondary phase, and a continuous increase of the hexagonal lattice parameters with substitution content (x). Magnetic characterization indicates that all Sr{sub 0.5}Ni{sub 0.5}La{sub x}Fe{sub 12 − x}O{sub 19} samples have a hard magnetic property. Substitution of Fe{sup 3+} ions by La{sup 3+} ions can obviously improve the specific saturation magnetization, remanence, magnetic moment, and effective anisotropy constant. Specific saturation magnetization, remanence, and the magnetic moment reach a maximum at x= 0.24 and calcination temperature of 1050 {sup ∘}C.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Effect of organic solvents on particle size of Mn{sub 3}O{sub 4} nanoparticles synthesized by a solvothermal method

In this paper, a modified simple solvothermal method is employed to synthesize Mn{sub 3}O{sub 4} nanocrystals using four different solvents: acetone, ethanol, N,N-dimethylformamide (DMF), and dimethyl sulfoxide (DMSO). Mn{sub 3}O{sub 4} nanoparticles with a tetragonal hausmannite nano-structure are characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), Fourier transform infrared spectroscopy (FTIR), as well as superconducting quantum interference device magnetometer (SQUID). The Mn{sub 3}O{sub 4} particle size is found to have a strong dependency on the solvent used. A reaction scheme is proposed to understand this dependency, suggesting that the solvent coordinating capability has a critical effect on Mn{sub 3}O{sub 4} particle size. The stronger the coordinating capability of the solvent is, the smaller the Mn{sub 3}O{sub 4} particle size is. In addition, magnetic properties of the nano-structured Mn{sub 3}O{sub 4} are also tested and discussed. - Graphical abstract: The comparison of the particle size of Mn{sub 3}O{sub 4} nanoparticles synthesized using different solvents and HRTEM image of Mn{sub 3}O{sub 4} individual nanoparticle revealed its single-crystal nature. - Highlights: • Mn{sub 3}O{sub 4} nanocrystals were synthesized using different solvents by a solvothermal method. • The particle size of Mn{sub 3}O{sub 4} nanocrystal is found to have a strong dependency on the solvent used. • A reaction mechanism is proposed to explain the difference of particle size of Mn{sub 3}O{sub 4} nanocrystals. • Magnetic properties of Mn{sub 3}O{sub 4} nanocrystals with different particle size are tested and compared.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Conductivity study and fourier transform infrared (FTIR) characterization of methyl cellulose solid polymer electrolyte with sodium iodide conducting ion

Sodium ion (Na{sup +}) based solid polymer electrolyte (SPE) has been prepared using solution cast technique with distilled water as solvent and Methylcellulose (MC) as a polymer host. Methylcellulose polymer was chosen as the polymer host due to the abundance of lone pair electrons in the carbonyl and C-O-C constituents, which in turn provide multiple hopping sites for the Na{sup +} conducting ions. Variable compositions of sodium iodide (NaI) salt were prepared to investigate the optimum MC-NaI weight ratio. Results from Electrical Impedance Spectroscopy (EIS) technique show that pure methylcellulose has a low conductivity of 3.61 × 10{sup −11} S/cm.The conductivity increases as NaI content increases up to optimum NaIcomposition of 40 wt%, which yields an average conductivity of 2.70 × 10{sup −5} S/cm.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Atmospheric pressure plasma - $\mathrm{ARGET}$ $\mathrm{ATRP}$ modification of poly(ether sulfone) membranes: A combination attack

We report a novel surface modification technique for grafting alkyl methacrylate monomers from commercial poly(ether sulfone) (PES) nanofiltration membranes is developed through a combination of helium and oxygen atmospheric pressure plasma treatment followed by Activators Regenerated by Electron Transfer (ARGET) Atom Transfer Radical Polymerization (ATRP). The resulting membrane surfaces show degree of grafting increases of 28%, 94%, and 270% for methyl methacrylate (C1), hexyl methacrylate (C6), and stearyl methacrylate (C18), respectively, when characterized with Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy. Scanning Electron Microscopy and Atomic Force Microscopy (AFM) show a rippled, fibrous morphology for the PES membranes grafted with C18 and reinforced through molecular dynamics simulations. AFM of the PES membranes grafted with C18 show an increase of ~ 23% in root-mean square (RMS) roughness as well as 4x higher adhesion force when probed with a hydrophobic gold cantilever tip when compared with the unmodified PES membranes, confirming a successful surface grafting reaction and increase in surface hydrophobicity, respectively. This technique allows enhanced synthesis of polymer grafted membranes using relatively green reaction solvent and enables “structure-by-design” surface morphology control with future applications in membrane separation processes such as organic solvent nanofiltration, gas separations, and desalination.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗