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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

White LED based on CsPbBr3 nanocrystal phosphors via a facile two-step solution synthesis route

Highlights: • The work shows a simple and effective strategy to synthesize perovskite materials. • A LED with CsPbBr{sub 3} nanocrystals as green phosphors was fabricated. • Notable stability of the CsPbBr{sub 3} nanocrystals was verified. - Abstract: All-inorganic CsPbBr{sub 3} perovskite nanocrystals with mean size of ∼300 nm were synthesized via a facile two-step solution synthesis route. High-resolution transmission electron microscopy and X-ray diffraction characterizations confirm the as-prepared CsPbBr{sub 3} nanoparticles are single-crystals with good crystallinity, although a CsPb{sub 2}Br{sub 5} impure phase also exists in the final product. Power-/temperature-dependent and time-resolved photoluminescence measurements reveal the notable and stable excitonic emission feature of these CsPbBr{sub 3} nanocrystals. As a proof-of-concept demonstration, a LED with p-GaN/n-ZnO heterojunction as blue-violet excitation chip and CsPbBr{sub 3} nanocrystals as green phosphors, was fabricated and a white electroluminescence was achieved from this perovskite nanocrystals decorated LED.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Anisotropic magnetic properties of the triangular plane lattice material TmMgGaO4

Highlights: • TmMgGaO{sub 4} crystallizes in the R-3m space group with the YbFe{sub 2}O{sub 4} structure. • TmMgGaO{sub 4} exhibits geometric magnetic frustration with no ordering down to 1.8 K. • Magnetic properties of TmMgGaO{sub 4} are highly anisotropic. - Abstract: The crystal growth, structure, and basic magnetic properties of TmMgGaO{sub 4} are reported. The Tm ions are located in a planar triangular lattice consisting of distorted TmO{sub 6} octahedra, while the Mg and Ga atoms randomly occupy intermediary bilayers of M-O triangular bipyramids. The Tm ions are positionally disordered. The material displays an antiferromagnetic Curie Weiss theta of ∼−20 −25 K, with no clear ordering visible in the magnetic susceptibility down to 1.8 K; the structure and magnetic properties suggest that ordering of the magnetic moments is frustrated by both structural disorder and the triangular magnetic motif. Single crystal magnetization measurements indicate that the magnetic properties are highly anisotropic, with large moments measured perpendicular to the triangular planes. At 2 K, a broad step-like feature is seen in the field-dependent magnetization perpendicular to the plane on applied field near 2 T.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Optimization of the CVD parameters for ZnO nanorods growth: Its photoluminescence and field emission properties

Highlights: • Home-made CVD reactor fabricated and successfully used for growing ZnO nanorods. • Growth of nanostructures depends on several CVD process parameters. • CVD parameters, flow rate of carrier gas, substrate temperature, Au catalyst droplet size, growth time duration, etc. optimized. • The mechanism of crystal growth understood by studying FESEM/TEM/XRD. • Photoluminescence and Field emission studies done for defects and applications. - Abstract: Vertically aligned single crystalline ZnO nanorods arrays were grown on a silicon substrate in a CVD reactor using Au as a catalyst. The CVD parameters such as substrate temperature, catalyst layer thickness/morphology and reaction time play a crucial role in the synthesis of nanostructures by the vapor-liquid-solid process. By optimizing these various CVD parameters, highly controlled guided growth of ZnO nanorods was achieved. The structural and morphological properties of resultant ZnO nanorods were studied by means of X-ray diffraction, high-resolution transmission electron microscopy, selected area electron diffraction and field emission scanning electron microscopy. The photoluminescence spectroscopy was also done to investigate the defects in grown ZnO nanorods. The field emission results of nanorods array indicated that the properties of the field emission follow Fowler–Nordheim law. The nanorods (grown for 20 min) are vertically aligned on the substrate surface without entanglements and with good crystal quality as well which is very important for several applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Flux growth and magneto-transport properties of cubic antiperovskite Ca3PbO single crystals

Highlights: • Antiperovskite Ca{sub 3}PbO is predicted to be a three-dimensional Dirac fermion system. • Cubic crystals, 1 mm in size, were obtained by a Ca-self-flux method. • The crucible and sealing method were critical factors to reduce carrier density. • Shubnikov-de Haas oscillations were clearly observed, indicating its high purity. - Abstract: We report the single crystal growth of cubic antiperovskite Ca{sub 3}PbO by a Ca-self-flux method. Cubic crystals, 1 mm in size, were successfully obtained through the use of iron crucibles sealed in stainless steel capsules. The crucible material and sealing method were found to be critical factors for achieving large crystals with low carrier density. The crystals were subsequently characterized by powder and single-crystal x-ray diffraction experiments, electron-probe microanalysis, and Hall effect measurements. Through the use of short stainless steel rods as tight caps for the crucible and fillers to occupy extra space in the capsule, the Ca evaporation loss of the flux, which contributes to Ca vacancy formation, was effectively reduced. Hence, the hole carrier density in the single crystal was reduced to 4.0 × 10{sup 19} cm{sup −3}. The crystal synthesized under optimized growth conditions showed clear Shubnikov-de Haas oscillations, indicating its high purity and homogeneity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Optimization of crystal growth and properties of γ-CuI ultrafast scintillator by the addition of LiI

Highlights: • Large and transparent γ-CuI single crystal with the size over 20 mm was successfully obtained for the first time. • The intensities of near-band-edge emissions of γ-CuI single crystal are greatly enhanced by Li and I dopants. • The 430 nm emission decay time is less than 450 ps under pulsed X-ray irradiation. - Abstract: Large-sized γ-CuI single crystals with ultrafast scintillation property were grown in LiI acetonitrile solvent through evaporation technique. The LiI exhibits unique properties to γ-CuI single crystal preparation. One is that it increases the solubility of CuI in the solvent, which gives rise to a largest-sized (23 × 14 × 2 mm{sup 3}) single crystal with the high optical transmission (over 60%) in the wavelength region of 435–800 nm. The other feature is that it acts as an effective isoelectronic dopant and improves the molar ratio of copper to iodine, which greatly enhances the near-band-edge emissions (411 and 432 nm) and suppresses the broadband emission (680 nm). The decay time of the fast emission under pulsed X-ray excitation is shorter than 450 ps. The results will give a guidance for optimizing the properties of γ-CuI single crystal as an ultrafast scintillator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Spectroscopic properties and rate equation model of Er doped BaLaGa3O7 crystals

Highlights: • We grew Er{sup 3+} activated BaLaGa{sub 3}O{sub 7} crystal for usage in mid-infrared laser. • The change of Er{sup 3+} doping concentration had significant effect on the fluorescence properties. • The best doping concentration of Er{sup 3+} should be maintained at 10–15at% to obtain 2.7 μm output. • We built and discussed the rate equation model according to the energy transfer diagram. - Abstract: Single crystals of pure and Er{sup 3+} doped BaLaGa{sub 3}O{sub 7} were grown successfully by the Czochralski technique. The absorption spectra, emission spectra including up-conversion, near-infrared and mid-infrared fluorescence spectra, as well as the fluorescence decay curves were measured at room temperature. The optical parameters of absorption and emission cross sections, the fluorescence lifetimes were evaluated and compared. Based on the Judde-Ofelt theory, Judde-Ofelt parameters such as the fluorescent branching ratios, the spontaneous transition probabilities and the radiative lifetimes were calculated. According to the energy transfer diagram, the rate equation model was built and discussed. In summary, Er{sup 3+}: BaLaGa{sub 3}O{sub 7} crystal is attractive and significant as laser gain material for realization of ∼2.7 μm laser output.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Compositional dependence of disordered structures in Na½Bi½TiO3-BaTiO3 solid solutions

Highlights: • Diffuse X-ray scattering collected from 4 compositions of Na{sub ½}Bi{sub ½}TiO{sub 3}-x%BaTiO{sub 3}. • Oxygen octahedral tilts, atomic displacements and modulations existed. • All local disordered structures evolved across the morphotropic phase boundary. - Abstract: Disordered structures contribute to the relaxor ferroelectric properties of the lead-free system Na{sub ½}Bi{sub ½}TiO{sub 3}-(x)%BaTiO{sub 3}. Such structures are difficult to characterize with conventional structural analysis techniques. Here, diffuse X-ray scattering was used to analyze the disordered structures from four single-crystals of Na{sub ½}Bi{sub ½}TiO{sub 3}-(x)%BaTiO{sub 3}, with compositions of (x)% = 0%, 4%, 9% and 17%. Such a range of compositions allowed a distinction between the structures that occur across the morphotropic phase boundary, where enhanced electro-mechanical properties have been reported. Throughout the compositional range, the resulting diffuse scattering showed the modification of correlated atomic displacements, transformation of planar defects in the oxygen octahedral tilt-systems, and the presence of modulations of approximately 10 unit cells. The results reported here demonstrate an evolution of the short-range structures across the morphotropic phase boundary that may underpin the electro-mechanical properties of Na{sub ½}Bi{sub ½}TiO{sub 3}-(x)%BaTiO{sub 3}. This information will ultimately assist in tailoring disordered structures for next-generation piezoelectric materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Lethal synergism between organic and inorganic wood preservatives via formation of an unusual lipophilic ternary complex

We have shown previously that exposing bacteria to wood preservatives pentachlorophenol (PCP) and copper-containing compounds together causes synergistic toxicity. However, it is not clear whether these findings also hold true in mammalian cells; and if so, what is the underlying molecular mechanism? Here we show that PCP and a model copper complex bis-(1,10-phenanthroline) cupric (Cu(OP){sub 2}), could also induce synergistic cytotoxicity in human liver cells. By the single crystal X-ray diffraction and atomic absorption spectroscopy assay, the synergism was found to be mainly due to the formation of a lipophilic ternary complex with unusual structural and composition characteristics and subsequent enhanced cellular copper uptake, which markedly promoted cellular reactive oxygen species (ROS) production, leading to apoptosis by decreasing mitochondrial membrane potential, increasing pro-apoptotic protein expression, releasing cytochrome c from mitochondria and activating caspase-3, and -9. Analogous results were observed with other polychlorinated phenols (PCPs) and Cu(OP){sub 2}. Synergistic cytotoxicity could be induced by PCP/Cu(OP){sub 2} via formation of an unusual lipophilic complex in HepG2 cells. The formation of ternary complexes with similar lipophilic character could be of relevance as a general mechanism of toxicity, which should be taken into consideration especially when evaluating the toxicity of environmental pollutants found at currently-considered non- or sub-toxic concentrations. -- Highlights: ► The combination of PCP/Cu(OP){sub 2} induces synergistic cytotoxicity in HepG2 cells. ► The synergism is mainly due to forming a lipophilic ternary complex between them. ► The formation of lipophilic ternary complex enhances cellular copper uptake. ► PCP/Cu(OP){sub 2} stimulates the cellular ROS production. ► The ROS promoted by PCP/Cu(OP){sub 2} induces mitochondria-dependent apoptosis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Fe0.36(4)Pd 0.64(4)Se 2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure

We report the synthesis and characterization of Fe 0.36(4) Pd 0.64(4) Se 2 with a pyrite-type structure. Fe 0.36(4) Pd 0.64(4) Se 2 was synthesized using ambient pressure flux crystal growth methods even though the space group Pa3 is high-pressure polymorph for both FeSe 2 and PdSe 2 . Combined experimental and theoretical analysis reveal magnetic spin glass state below 23 K in 1000 Oe that stems from random Fe/Pd occupancies on the same atomic site. The frozen-in magnetic randomness contributes significantly to electronic transport. Electronic structure calculations confirm dominant d-electron character of hybridized bands and large density of states near the Fermi level. Flux-grown single crystal alloys in Pd-Fe-Se atomic system therefore open new pathway for exploring different polymorphs in crystal structures and their novel properties. © 2019 American Chemical Society.

36 MATERIALS SCIENCE↗
DOE OSTI2013

X-ray diffraction and extended X-ray absorption fine structure study of epitaxial mixed ternary bixbyite Pr{sub x}Y{sub 2-x}O{sub 3} (x = 0-2) films on Si (111)

Ternary single crystalline bixbyite Pr{sub x}Y{sub 2-x}O{sub 3} films over the full stoichiometry range (x = 0-2) have been epitaxially grown on Si (111) with tailored electronic and crystallographic structure. In this work, we present a detailed study of their local atomic environment by extended X-ray absorption fine structure at both Y K and Pr L{sub III} edges, in combination with complementary high resolution x-ray diffraction measurements. The local structure exhibits systematic variations as a function of the film composition. The cation coordination in the second and third coordination shells changes with composition and is equal to the average concentration, implying that the Pr{sub x}Y{sub 2-x}O{sub 3} films are indeed fully mixed and have a local bixbyite structure with random atomic-scale ordering. A clear deviation from the virtual crystal approximation for the cation-oxygen bond lengths is detected. This demonstrates that the observed Vegard's law for the lattice variation as a function of composition is based microscopically on a more complex scheme related to local structural distortions which accommodate the different cation-oxygen bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Ultrafast switching in wetting properties of TiO{sub 2}/YSZ/Si(001) epitaxial heterostructures induced by laser irradiation

We have demonstrated dark hydrophilicity of single crystalline rutile TiO{sub 2}(100) thin films, in which rapid switching from a hydrophobic to a hydrophilic surface was achieved using nanosecond excimer laser irradiation. The TiO{sub 2}/YSZ/Si(001) single crystalline heterostructures were grown by pulsed laser deposition and were subsequently irradiated by a single pulse of a KrF excimer laser at several energies. The wettability of water on the surfaces of the samples was evaluated. The samples were hydrophobic prior to laser annealing and turned hydrophilic after laser annealing. Superhydrophilic surfaces were obtained at higher laser energy densities (e.g., 0.32 J.cm{sup -2}). The stoichiometries of the surface regions of the samples before and after laser annealing were examined using XPS. The results revealed the formation of oxygen vacancies on the surface, which are surmised to be responsible for the observed superhydrophilic behavior. According to the AFM images, surface smoothening was greater in films that were annealed at higher laser energy densities. The samples exhibited hydrophobic behavior after being placed in ambient atmosphere. The origin of laser induced wetting behavior was qualitatively understood to stem from an increase of point defects near the surface, which lowered the film/water interfacial energy. This type of rapid hydrophobic/hydrophilic switching may be used to facilitate fabrication of electronic and photonic devices with novel properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Optical properties of Eu{sup 2+} doped antipervoskite fluoride single crystals

Single crystals of pure and Eu{sup 2+} doped LiBaF{sub 3} have been grown from melt by using a vertical Bridgman-Stockbarger method. Absorption and luminescence spectra for pure and rare-earth-doped LiBaF{sub 3} were studied. At ambient conditions the photoluminescence spectra consisted of sharp lines peaked at {approx}359 nm attributed to the {sup 6}P7/2{yields}{sup 8}S7/2 transitions in the 4f{sub 7} electronic configuration of Eu{sup 2+} and a broad band extending between 370 and 450 nm attributed to Eu{sup 2+} trapped exciton recombination. The effect of {sup 60}Co gamma irradiation has also been investigated.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Structural, morphological and electrical studies of lithium ion irradiated sodium potassium niobate single crystal grown by flux method

Single crystals of sodium potassium niobate (K{sub 0.5}Na{sub 0.5})NbO{sub 3} (KNN) were grown by flux method and crystals were irradiated with 45 MeV Li ions to modify the electrical properties. Energy of the irradiated heavy ion was lower than the threshold energy to produce columnar defect and only clusters of defect was observed. The surface morphology of the irradiated single crystals was studied using scanning electron microscope (SEM) and atomic force microscope (AFM). The results show that the surface roughness value was found to increase with increasing fluence.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Development of scintillation materials for medical imaging and other applications

Scintillation materials that produce pulses of visible light in response to the absorption of energetic photons, neutrons, and charged particles, are widely used in various applications that require the detection of radiation. The discovery and development of new scintillators has accelerated in recent years, due in large part to their importance in medical imaging as well as in security and high energy physics applications. Better understanding of fundamental scintillation mechanisms as well as the roles played by defects and impurities have aided the development of new high performance scintillators for both gamma-ray and neutron detection. Although single crystals continue to dominate gamma-ray based imaging techniques, composite materials and transparent optical ceramics potentially offer advantages in terms of both synthesis processes and scintillation performance. A number of promising scintillator candidates have been identified during the last few years, and several are currently being actively developed for commercial production. Purification and control of raw materials and cost effective crystal growth processes can present significant challenges to the development of practical new scintillation materials.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Formation of a ZnO{sub 2} layer on the surface of single crystal ZnO substrates with oxygen atoms by hydrogen peroxide treatment

Formation of a ZnO{sub 2} layer by H{sub 2}O{sub 2} treatment for single crystal ZnO (0001) substrates was studied. X-ray diffraction (XRD) peaks of ZnO{sub 2} with a pyrite structure were observed in XRD 2{theta}-{omega} scan patterns of the O-face of single crystal ZnO (0001) substrates with H{sub 2}O{sub 2} treatment, but these peaks were not observed in patterns of the Zn-face of ZnO (0001) substrates with H{sub 2}O{sub 2} treatment. XRD {omega} scan patterns of the ZnO (0002) plane of the O-face of single crystal ZnO (0001) substrates were broadened at the tail of the pattern by H{sub 2}O{sub 2} treatment, but such broadening was not observed in that plane of the Zn-face. Grain structure of ZnO{sub 2} layers was clearly observed in atomic force microscopy (AFM) images for the O-face of ZnO (0001) substrates with H{sub 2}O{sub 2} treatment. Spectra of X-ray photoelectron spectroscopy (XPS) of the O-face of ZnO (0001) substrates with H{sub 2}O{sub 2} treatment showed a definite peak shift of the O 1s peak. It is thought that a pyrite structure of ZnO{sub 2} is easily formed around an O atom of the O-face of ZnO (0001) substrates. Results of XRD measurements, the AFM image, and XPS measurement of the H{sub 2}O{sub 2}-treated single crystal ZnO (1010) substrate that has oxygen atoms on the surface appeared to be the same as those of the O-face of ZnO (0001) substrates.

36 MATERIALS SCIENCE↗
DOE OSTI2013

An experimental system for high temperature X-ray diffraction studies with in situ mechanical loading

An experimental system with in situ thermomechanical loading has been developed to enable high energy synchrotron x-ray diffraction studies of crystalline materials. The system applies and maintains loads of up to 2250 N in uniaxial tension or compression at a frequency of up to 100 Hz. The furnace heats the specimen uniformly up to a maximum temperature of 1200 Degree-Sign C in a variety of atmospheres (oxidizing, inert, reducing) that, combined with in situ mechanical loading, can be used to mimic processing and operating conditions of engineering components. The loaded specimen is reoriented with respect to the incident beam of x-rays using two rotational axes to increase the number of crystal orientations interrogated. The system was used at the Cornell High Energy Synchrotron Source to conduct experiments on single crystal silicon and polycrystalline Low Solvus High Refractory nickel-based superalloy. The data from these experiments provide new insights into how stresses evolve at the crystal scale during thermomechanical loading and complement the development of high-fidelity material models.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Biparametric analyses of charge trapping in Cd{sub 0.9}Zn{sub 0.1}Te based virtual Frisch grid detectors

Detector grade Cd{sub 0.9}Zn{sub 0.1}Te (CZT) single crystals were grown from zone refined Cd, Zn, and Te ({approx}7 N) precursor materials, using a tellurium solvent method. Detectors with virtual Frisch grid configuration were fabricated using these crystals. I-V measurements revealed low leakage currents at room-temperature, {approx}11 nA for one such detector D1 and {approx}8 nA for another detector D2 at 1100 V. The spectroscopic performances of the two CZT virtual Frisch grid detectors have been evaluated and compared for high energy gamma ray detection. Detector D1 showed a well-resolved pulse-height spectrum with an energy resolution of {approx}1.6% for the 662 keV gamma rays. Detector D2 also showed a distinct 662 keV peak but with a broader pulse-height distribution. A digital biparametric correlation study of the depth of interaction and energy deposited by the 662 keV gamma rays was carried out. A different kind of correlation pattern from that observed normally for hole trapping was noticed in the case of detector D2. Correlation of results from thermally stimulated current measurement studies suggested that the anomalous biparametric correlation pattern was due to the trapping of holes but modified by the virtual Frisch grid effect. The results also suggested that the effect of electron trapping could not be ruled out either. Finally, a digital correction scheme was applied to recover the {sup 137}Cs spectrum from the effect of charge loss.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗