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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Synthesis of the Orthorhombic Dy{sub 1−x}Ho{sub x}MnO{sub 3} Single Crystals and Study of Their Magnetic Properties

In this report, we prepared for the first time the orthorhombic Dy{sub 1−x}Ho{sub x}MnO{sub 3} single crystals with x = 0, 0.1, 0.2, 0.3, and 0.4 using the flux technique. The post-growth processing and chemical and structural characterization of the synthesized samples were performed. Also, we examined the samples obtained by their magnetic properties and the magnetic anisotropy in wide ranges of temperatures and magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Oxygen Vacancy-Induced Room Temperature Ferromagnetism in Rutile TiO{sub 2}

As oxygen vacancies play an important role in ferromagnetism of rutile TiO{sub 2}, a method of γ-ray irradiates rutile TiO{sub 2} single crystals was subtly proposed to study the effect of oxygen vacancies on magnetic properties. Remarkably, room temperature ferromagnetism was observed in γ-ray irradiated rutile TiO{sub 2} single crystals, and the saturation magnetization is the strongest when dose is 4 × 10{sup 4} Gy which assigned to ESR results. Since the displacement threshold energy of Ti atom is much bigger than that of O atom, the defects produced by γ-irradiation are mainly oxygen vacancies. After irradiation, XPS, PL spectra indicate the presence of oxygen vacancies(V{sub O}), Ti{sup 3+}, and V{sub O}-Ti{sup 3+} composite defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Nonlinear Second Harmonics of Localized Shear Waves in an Anisotropic Layer Between Anisotropic Half Spaces Under the Conditions of Imperfect Contact

We construct a numerical-analytic solution of the problem of generation of the nonlinear second harmonics in the course of propagation of elastic symmetric localized shear waves in the crystalline layer of cubic system of the m3m class located between the crystalline half spaces of the same type and the same class of anisotropy under the conditions of imperfect sliding contact of components of the waveguide. We determine the analytic form of the functions of wave motions for nonlinear anharmonic perturbations in the form of longitudinal-shear-type waves. We also perform the numerical investigations of the amplitude-frequency characteristics of the second harmonics for monochromatic localized waves in a layer of a single crystal of germanium between the half spaces from the single crystal of silicon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Hybrid CdS nanowires/Si heterostructure photodetector fabricated by intense pulsed light assisted - laser ablation in liquid

Synthesis of CdS nanowires NWs by combined intense pulsed light (IPL) and pulsed laser ablation in liquid is demonstrated for the first time. An IPL source providing 3 ms duration pulses was used to assist the synthesis of CdS nanowires by 7 ns pulsed laser ablation of cadmium target in thiourea and CTAB solution. The results showed a small increase in optical energy band gap of CdS NWs and a decrease of the nanowires diameter from 50 to 40 nm after combining the IPL. The intensity of the photoluminescence emission peak located at 458 nm was doubled when the IPL combined laser ablation process. In addition the synthesized CdS nanowires showed single crystalline pure hexagonal wurtzite phase with decreased particles agglomeration and smaller particle size. Raman spectra were improved too by revealing sharp and shifted peaks at 293 and 585 cm{sup −1}. The figures of merit of hybrid n-CdSNWs/p-Si heterojunction photodetector namely responsivity and minority carrier lifetime were found to be improved remarkably after using IPL assisted laser ablation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Three-dimensional copper(II) carboxylates based on 4,4′,4″-benzene-1,3,5-triyltris(benzoic acid)

The homochiral coordination polymers [Cu{sub 4}(CH{sub 3}OH)(H{sub 2}O){sub 4}(Hbtb)(S-mal){sub 2}]•4H{sub 2}O and [Cu{sub 4}(CH{sub 3}OH)(H{sub 2}O){sub 4}(Hbtb)(R-mal){sub 2}]•4H{sub 2}O were synthesized by heating S- or R-malic acid (H{sub 3}mal), 4,4′,4″-benzene-1,3,5-triyltris(benzoic acid) (H{sub 3}btb), and copper(II) acetate in an aqueous methanolic solution. The reaction with copper(II) nitrate in aqueous dioxane afforded the coordination framework [Cu{sub 6}(C{sub 4}H{sub 8}O{sub 2}){sub 3}(H{sub 2}O){sub 3}(btb){sub 4}]•4C{sub 4}H{sub 8}O{sub 2}•10H{sub 2}O, which does not contain chiral ligands. The compositions and crystal structures of the new compounds were determined by single-crystal X-ray diffraction and confirmed by X-ray powder diffraction, IR spectroscopy, thermogravimetric and elemental analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Synthesis and crystal structure of the coordination polymer [{Li(H_2O)_3}{sub 2}(C{sub 36}H{sub 36}N{sub 24}O{sub 12})]Cl{sub 2}•6H{sub 2}O

The coordination polymer of the composition [{Li(H_2O)_3}{sub 2}(C{sub 36}H{sub 36}N{sub 24}O{sub 12})]Cl{sub 2}•6H{sub 2}O (1) was synthesized by heating an aqueous solution of lithium chloride and cucurbit[6]uril (CB[6]). According to single-crystal X-ray diffraction data, solvated lithium cations in compound 1 form coordination bonds with oxygen atoms of CB[6] molecules. Compound 1 was characterized by X-ray diffraction, IR spectroscopy, thermogravimetric and elemental analysis. Luminescence spectra of the new compound were measured.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Coordination polymers based on zinc(II) and manganese(II) with 1,4-cyclohexanedicarboxylic acid

Three new metal-organic coordination polymers were obtained namely, [Mn{sub 3}(chdc){sub 3}-(NMP){sub 2}(DMF){sub 2}] (1, chdc{sup 2–} is trans-1,4-cyclohexanedicarboxylate, NMP is N-methylpyrrolidone, DMF is N,N-dimethylformamide), [Zn{sub 3}(chdc){sub 3}(NMP){sub 2}]•2NMP (2), and [Zn{sub 3}(chdc){sub 3}(ur)-(DMF){sub 0.5}]•DMF (3, ur is the urotropine). The crystal structures of polymers 1, 2, and 3 were determined by single-crystal X-ray crystallography. All three compounds were found to contain a trinuclear secondary building unit {M_3(OOC)_6}. Coordination polymers 1 and 2 have a layered structure, while polymer 3 has a three-dimensional coordination framework with isolated pores formed due to the presence of urotropine bridging molecules. Compounds 1 and 3 were characterized by IR spectroscopy, thermogravimetric and elemental analysis data, powder X-ray diffraction. Compound 3 was also characterized by UV-Vis diffuse reflectance spectrum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Synthesis and structural features of new pentacoordinated monofluorosilanes containing C,O-chelate ligands based on 2-amino acid N-methylamides

Pentacoordinated monofluorosilanes R{sup 1}SO{sub 2}NHCHR{sub 2}C(O)N(Me)CH{sub 2}SiMe{sub 2}F containing moieties of N′-methyl-N-(organosulfonyl)-2-amino acid amides of glycine, alanine, and leucine as C,O-chelating ligands were synthesized via the reaction of corresponding disiloxanes with BF{sub 3}•Et{sub 2}O. The structures of obtained compounds were investigated by single-crystal X-ray diffraction analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

New benzo[f]quinolino[3,4-b][1,7]naphthyridine-6,8(5H,9H)-diones: synthesis, electronic, molecular, and crystal structures. Protonation and complexation with lanthanum and europium salts

A series of novel benzo[f]quinolino[3,4-b][1,7]naphthyridine-6,8(5H,9H)-diones, which are promising ligands for the extractive separation of actinides and lanthanides, and also their complexes with lanthanum and europium were synthesized. The molecular and crystal structures of one among the ligands were determined by single crystal X-ray diffraction. The protonation of compounds was investigated by IR and NMR spectroscopy. The electronic structure of starting substances and protonated forms was estimated by DFT calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Sterically hindered tetrylenes based on new 1,10-phenanthroline-containing diols: initiators for ε-caprolactone polymerization

Previously unknown tetradentate ONNO-type ligands 1–5 (4,7-di(4-R´-phenoxy)-2,9- di(HOCR{sub 2}CH)-1,10-phenanthrolines (R´ = Me, R–R = –(CH{sub 2}){sub 5}– (1), R = Me (2), R–R = 2,2-adamantylene (3); R´ = But, R–R = –(CH{sub 2}){sub 5}– (4), R = Me (5)) were synthesized by sequential treatment of 2,9-dimethyl-4,7-di(4-R´-phenoxy)-1,10-phenanthrolines 6 (R´ = Me) and 7 (R´ = Bu{sup t}) with excess LDA and appropriate dialkyl ketone. The structure of compound 4 was determined by single-crystal X-ray diffraction. Previously uncharacterized phenanthroline 6 was synthesized by the treatment of 4,7-dichloro-2,9-dimethyl-1,10-phenanthroline with excess p-cresol in the presence of KOH. The reaction of compounds 1–5 with one equivalent of Lappert´s germylene or stannylene, M[N(SiMe{sub 3}){sub 2}]{sub 2} (M = Ge, Sn), gave the corresponding germylenes 8–12 (M = Ge, R´ = Me, R–R = –(CH{sub 2}){sub 5}– (8), R = Me (9), R–R = 2,2-adamantylene (10), R´ = Bu{sup t}, R{sub 2} = –(CH{sub 2}){sub 5}– (11), R = Me (12)) and stannylenes 13–17 (M = Sn, R´ = Me, R–R = –(CH{sub 2}){sub 5}– (13), R = Me (14), R–R = 2,2-adamantylene (15), R´ = Bu{sup t}, R–R = –(CH{sub 2}){sub 5}– (16), R{sub 2} = Me (17)) in satisfactory yields. According to {sup 1}H, {sup 13}C, and {sup 119}Sn NMR data, the synthesized stannylenes are monomeric in solution, and the tin atom has a coordination number of 4. In the series of the compounds under consideration, stannylene 16 proved to be the most active initiator for e-caprolactone polymerization, whereas the germylenes were shown to be inactive in this process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Binding of gold(III) with silver(I) dipropyldithiocarbamate: supramolecular self-assembly (role of secondary Au…S and Ag…S bonds) and thermal behavior of the ionic-polymer complex ([Au(S{sub 2}CNPr{sub 2}){sub 2}][AgCl{sub 2}]){sub n}

The double ionic-polymer complex ([Au(S{sub 2}CNPr{sub 2}){sub 2}][AgCl{sub 2}]){sub n} (1) was prepared as an individual fixation form of gold(III) from NaCl solutions with silver(I) dipropyldithiocarbamate and was characterized by single-crystal X-ray diffraction and {sup 13}C magic-angle spinning (MAS) NMR spectroscopy. The structure of 1 comprises two nonequivalent centrosymmetric complex cations [Au(S{sub 2}CNPr{sub 2}){sub 2}]{sup +} (A and B) and the discrete linear anion [AgCl{sub 2}]{sup –}. Gold(III) cations are linked by pairs of unsymmetrical secondary Au…S bonds to form linear supramolecular chains (…A…B…)n. Neighboring cations are additionally linked by [AgCl{sub 2}]{sup –} anions via secondary Ag…S and Cl…S bonds, the anions being involved in the overall stabilization of the supramolecular structure. The cation–anion interactions lead to a distortion of the linear configuration of the [AgCl{sub 2}]{sup –} anion. The character of thermolysis of 1 accompanied by quantitative regeneration of bound Au and Ag was established by simultaneous thermal analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Metal-organic frameworks based on magnesium(II): adsorption and luminescence properties

Two new metal-organic frameworks based on magnesium(II) ions, [Mg{sub 4}(bdc){sub 3}(dma){sub 6}(NO{sub 3}){sub 2}]•DMA (1; bdc is 1,4-benzenedicarboxylate; dma, DMA is N,N-dimethylacetamide) and [Mg{sub 3}(bpdc){sub 3}(nmp){sub 4}] (2; bpdc is 4,4´-biphenyldicarboxylate; nmp is N-methylpyrrolidone), were synthesized in DMA or NMP, respectively. According to the single-crystal X-ray diffraction data, compound 1 is built of binuclear carboxylate units {Mg_2(O_2CR)_3}, which were previously not observed in metal-organic frameworks. Compound 2 is based on trinuclear carb oxylate units {Mg_3(O_2CR)_6}. Compound 1 has a layered structure (hcb topology), whereas compound 2 has a distorted three-dimensional cubic structure (pcu topology). The phase purity and chemical identity of the compounds were confirmed by IR spectroscopy, thermogravimetry, elemental analysis, and powder X-ray diffraction. Photoluminescence properties of both compounds are indicative of intraligand charge-transfer transitions of one (for 1) or two (for 2) types. Textural characteristics of an activated sample of 1 were measured by nitrogen and hydrogen adsorption at 77 K and by carbon dioxide adsorption at 195 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Decarboxylation and electrophilic substitution in 3-tert-butyl-4-oxopyrazolo[5,1-c][1,2,4]triazines

Reactivity of 7-R-3-tert-butyl-4-oxo-4,6-dihydropyrazolo[5,1-c][1,2,4]triazine-8-carboxylic acids (R = NH{sub 2}, N{sub 3}, H) and products of their decarboxylation towards different electrophilic agents (chloroacetone, Boc{sub 2}O/NaN{sub 3}, DMF/POCl{sub 3}, TMSBr, N-halosuccinimides, and HNO{sub 2}) was studied. A selective synthesis of new C(7),C(8)-functionalized and N(1)-tert-butyloxycarbonyl-substituted 4-oxopyrazolo[5,1-c][1,2,4]triazines was performed. The structures of the synthesized compounds were confirmed by IR and NMR spectroscopy, high resolution mass spectrometry and single crystal X-ray diffraction analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Electrical and Thermal Conductivity of Solid Solution Sn{sub 1–x}Mn{sub x}Te (0 ≥ x ≥ 0.04)

Electrical and thermal properties of the Sn{sub 1–x}Mn{sub x}Te single crystals (0 ≥ x ≥ 0.04) with contacts of eutectic alloy 57Bi + 43Sn (in mass%) are investigated at temperatures from 77 to 300 K. Experimental results show that this alloy with specified single crystals forms ohmic contact with a sufficiently low contact resistance. The electronic thermal conductivity in some samples reaches about 50% of the total thermal conductivity, and structural defects contribute significantly to the thermal resistance of the crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

A New Method of Obtaining an n–p-Structure on the Basis of the Defective Semiconductor AgIn{sub 5}S{sub 8}

The type of electrical conductivity of А{sup 1}В{sup 3}{sub 5}С{sup 6}{sub 8} semiconductor compounds with defective crystalline structure is modified by the influence of powerful laser radiation. It is shown that at certain power and wavelength of laser radiation acting on the single-crystal п-AgIn{sub 5}S{sub 8}, an area with the p-type of conductivity is formed in the irradiated region of the crystal. Current-voltage characteristics of homo-junctions created on the basis of n-AgIn{sub 5}S{sub 8} are recorded.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Influence of After-Growth Treatments on the Optical Parameters of Teraherz ZnGeP{sub 2} Crystals

Results of investigations are presented of the THz spectra of the refractive index n(v) and of the extinction coefficient k(v) for ZnGeP{sub 2} single crystals with different degrees of technological treatment – after growth by the vertical Bridgman technique, after heat treatment at temperatures above the Debye temperature for the highest-frequency phonons, and after modification of the single-crystal properties under irradiation by fast electrons (~4 MeV).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

An Analysis of Characteristics of Magnetostatic Waves Propagating in Nonhomogeneous Fields Across the Ferrospinel Film Thickness

The amplitude-frequency characteristics (AFCs) of magnetostatic waves in the films of magnesium-manganese ferrospinels with nanostructured inhomogeneities are discussed. A common effect, observed in the film AFCs under different process conditions, is the ‘oscillations of propagation’ of magnetostatic waves as a function of the frequency. The oscillation pattern is thought to depend on the inhomogeneous exchange parameters and the surface anisotropy constants. The wave instability is characterized by the resonant interaction of the dipole magnetostatic waves with the surface spin waves. It is shown that the ferrospinel films with periodic nanostructured inhomogeneities of 30–40 nm could be treated as magnon crystals. An inclusion of the inhomogeneity into consideration allows one to provide reasoning for the formation of the rejection bands within the range 9–12 GHz, whose frequencies correspond to Bragg frequencies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Estimation of Crystal Lattice Deformations with Depth of Proton-Exchanged Optical Waveguides on Lithium Niobate Single Crystal Substrates

A method for determining the crystal phase and estimating the crystal lattice deformations in H{sub x}Li{sub 1-x}NbO{sub 3} proton-exchanged optical waveguides from an analysis of the Raman light scattering spectra measured with high spatial resolution (the so-called method of micro-RS spectroscopy) is suggested.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗