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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Boron Difluoride Curcuminoid Fluorophores with Enhanced Two-Photon Excited Fluorescence Emission and Versatile Living-Cell Imaging Properties

The synthesis of boron difluoride complexes of a series of curcuminoid derivatives containing various donor end groups is described in this paper. Time-dependent (TD)-DFT calculations confirm the charge-transfer character of the second lowest-energy transition band and ascribe the lowest energy band to a “cyanine-like” transition. Photophysical studies reveal that tuning the donor strength of the end groups allows covering a broad spectral range, from the visible to the NIR region, of the UV–visible absorption and fluorescence spectra. Two-photon-excited fluorescence and Z-scan techniques prove that an increase in the donor strength or in the rigidity of the backbone results in a considerable increase in the two-photon cross section, reaching 5000 GM, with predominant two-photon absorption from the S 0 –S 2 charge-transfer transition. Direct comparisons with the hemicurcuminoid derivatives show that the two-photon active band for the curcuminoid derivatives has the same intramolecular charge-transfer character and therefore arises from a dipolar structure. Overall, this structure–relationship study allows the optimization of the two-photon brightness (i.e., 400–900 GM) with one dye that emits in the NIR region of the spectrum. Finally, in addition, these dyes demonstrate high intracellular uptake efficiency in Cos7 cells with emission in the visible region, which is further improved by using porous silica nanoparticles as dye vehicles for the imaging of two mammalian carcinoma cells type based on NIR fluorescence emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

New luminescence lines in nanodiamonds obtained by chemical vapor deposition

The spectral characteristics of the photoluminescence lines detected for nanodiamonds obtained by the reactive ion etching of diamond particles in oxygen plasma, deposited by chemical vapor deposition on a silicon substrate, are studied. At room temperature, narrow lines are observed in the visible and infrared spectral regions, with a full width at half-maximum in the range of 1–2 nm at an almost complete absence of a broadband photoluminescence background signal. At decreasing temperature, the lines narrowed to 0.2–0.6 nm at T = 79 K, and the minimum line width was 0.055 nm at T = 10 K. With increasing temperature, the narrow lines shifted to the long-wavelength region of the spectrum, and their intensity decreased.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Penning plasma based simultaneous light emission source of visible and VUV lights

In this paper, a laboratory-based penning plasma discharge source is reported which has been developed in two anode configurations and is able to produce visible and VUV lights simultaneously. The developed source has simultaneous diagnostics facility using Langmuir probe and optical emission spectroscopy. The two anode configurations, namely, double ring and rectangular configurations, have been studied and compared for optimum use of the geometry for efficient light emissions and recording. The plasma is produced using helium gas and admixture of three noble gases including helium, neon, and argon. The source is capable to produce eight spectral lines for pure helium in the VUV range from 20 to 60 nm and total 24 spectral lines covering the wavelength range 20–106 nm for the admixture of gases. The large range of VUV lines is generated from gaseous admixture rather from the sputtered materials. The recorded spectrum shows that the plasma light radiations in both visible and VUV range are larger in double ring configuration than that of the rectangular configurations at the same discharge operating conditions. To clearly understand the difference, the imaging of the discharge using ICCD camera and particle-in-cell simulation using VORPAL have also been carried out. The effect of ion diffusion, metastable collision with the anode wall and the nonlinear effects are correlated to explain the results.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Structural and spectral studies of hydrated hexaamminecobalt(III)–hexafluororhenate(IV)

The crystal structure of the [Co(NH 3 ) 6 ] 2 [ReF 6 ] 3 ·3H 2 O (I) salt is reported. The salt crystallizes in the trigonal space group P31m with the following unit cell dimensions: a = 15.8714(4) Å, b = 15.8714(4) Å, and c = 9.8657(4) Å. Here, the structure of (I) consists of [Co(NH 3 ) 6 ] 3+ cations, [ReF 6 ] 2– anions, and co-crystallized water molecules which are linked by hydrogen bonding. In (I), independent [ReF 6 ] 2– anions and [Co(NH 3 ) 6 ] 3+ cations octahedron are slightly distorted. Characteristic vibration bands of the [Co(NH 3 ) 6 ] 3+ cation, [ReF 6 ] 2– anion as well as the co-crystallized H 2 O molecules are observed in the infrared spectra of (I). UV-Visible analyses in water showed that the absorption of the [Co(NH 3 ) 6 ] 3+ cation predominate the spectra of (I).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2016

TERRESTRIAL EFFECTS OF NEARBY SUPERNOVAE IN THE EARLY PLEISTOCENE

Recent results have strongly confirmed that multiple supernovae happened at distances of ∼100 pc, consisting of two main events: one at 1.7–3.2 million years ago, and the other at 6.5–8.7 million years ago. These events are said to be responsible for excavating the Local Bubble in the interstellar medium and depositing {sup 60}Fe on Earth and the Moon. Other events are indicated by effects in the local cosmic ray (CR) spectrum. Given this updated and refined picture, we ask whether such supernovae are expected to have had substantial effects on the terrestrial atmosphere and biota. In a first look at the most probable cases, combining photon and CR effects, we find that a supernova at 100 pc can have only a small effect on terrestrial organisms from visible light and that chemical changes such as ozone depletion are weak. However, tropospheric ionization right down to the ground, due to the penetration of ≥TeV CRs, will increase by nearly an order of magnitude for thousands of years, and irradiation by muons on the ground and in the upper ocean will increase twentyfold, which will approximately triple the overall radiation load on terrestrial organisms. Such irradiation has been linked to possible changes in climate and increased cancer and mutation rates. This may be related to a minor mass extinction around the Pliocene-Pleistocene boundary, and further research on the effects is needed.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Analysis of remote reflectin spectroscopy to monitor plant health

Remote non-contact reflection spectroscopy is examined as a method for detecting stress in Controlled Ecological Life Support System (CELSS) type crops. Lettuce (Latuca Sativa L. cv. Waldmans Green) and wheat (Triticum Aestivum L. cv. Yecora Rojo) were grown hydroponically. Copper and zinc treatments provided toxic conditions. Nitrogen, phosphorous, and potassium treatments were used for deficiency conditions. Water stress was also induced in test plants. Reflectance spectra were obtained in the visible and near infrared (400nm to 2600nm) wavebands. Numerous effects of stress conditions can be observed in the collected spectra and this technique appears to have promise as a remote monitor of plant health, but significant research remains to be conducted to realize the promise.

Woodhouse, R.↗
DOE OSTI2025

Effect of dilute Rh on oxygen dissociation, spillover, and the oxidation of Cu across many orders of magnitude pressure

Knowledge of how trace amounts of more reactive metals influence the oxidation rate and mechanism of Cu surfaces is essential for developing strategies to optimize the performance of Cu-based catalysts. We find that the addition of 1% Rh to Cu(111) increases the initial O 2 dissociation rate by approximately 9-fold. CO poisoning experiments reveal that single Rh atoms activate O 2 and facilitate the spillover of atomic oxygen to Cu sites. Scanning tunneling microscopy (STM) and in situ X-ray photoelectron spectroscopy (XPS) support this mechanism, showing enhanced surface oxygen near Rh atoms. Here, a density functional theory (DFT)-based model demonstrates that Rh binds the O 2 precursor 0.15 eV more strongly than Cu(111) and lowers the O 2 dissociation barrier by 0.02 eV. Both single-crystal and nanoparticle experiments show that at low oxygen pressures, Rh enhances Cu oxidation, whereas at higher pressures, it inhibits deeper oxidation, as evidenced by in situ ultraviolet-visible (UV-vis) spectra.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Electrochemical preparation of poly(methylene blue)/graphene nanocomposite thin films

Highlights: • Poly(MB)/graphene thin films are prepared by a simple electrochemical approach. • Graphene layers in the film show a broad band in visible region of absorbance spectra. • Morphology of composite films indicates both disordered and ordered regions. • XRD reveals that nanocomposite films include rGO layers after electropolymerization process. • Chemically prepared graphene is better than electrochemically prepared graphene for electrooxidation of nitrite. - Abstract: Poly(methylene blue)/graphene nanocomposite thin films were prepared by electropolymerization of methylene blue in the presence of graphene which have been synthesized by two different methods of a chemical oxidation process and an electrochemical approach. Synthesized nanocomposite thin films were characterized by using cyclic voltammetry, UV–vis. absorption spectroscopy, powder X-ray diffraction, and scanning tunneling microscopy techniques. Electrocatalytical properties of prepared poly(methylene blue)/graphene nanocomposite films were compared toward electrochemical oxidation of nitrite. Under optimized conditions, electrocatalytical effect of nanocomposite films of chemically prepared graphene through electrochemical oxidation of nitrite was better than that of electrochemically prepared graphene.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Poly(methyl methacrylate)/layered zinc sulfide nanocomposites: Preparation, characterization and the improvements in thermal stability, flame retardant and optical properties

Highlights: • Layered zinc sulfide (LZnS) was synthesized successfully via hydrothermal method. • We prepare PMMA/LZnS nanocomposites by in situ bulk polymerization of MMA. • PMMA/LZnS nanocomposites were investigated by TGA, DSC, MCC, UV–vis and PL test. • The thermal stability, flame retardant and optical properties of PMMA are improved. - Abstract: Layered zinc sulfide (LZnS) was synthesized successfully via hydrothermal method and poly(methyl methacrylate) (PMMA)/layered zinc sulfide nanocomposites were obtained by in situ bulk polymerization of methyl methacrylate (MMA). X-ray diffraction (XRD) and transmission electron microscopy (TEM) were used to characterize the as-synthesized layered zinc sulfide and PMMA/layered zinc sulfide nanocomposites. Microscale combustion calorimeter (MCC), differential scanning calorimeter (DSC) and thermogravimetric analysis (TGA) were used to test the thermal properties of the composites. Ultraviolet visible (UV–vis) transmittance spectra and photoluminence (PL) spectra were obtained to investigate the optical properties of the composites. From the results, the thermal degradation temperature is increased by 20–50 °C, the peak of heat release rate (pHRR) and total heat release (THR) are both decreased by above 30%, and the photoluminence intensity is enhanced with the increasing loading of layered zinc sulfide.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Highly sensitive up-conversion optical thermometry based on Yb3+-Er3+ co-doped NaLa(MoO4)2 green phosphors

Highlights: • Phosphors NaLa(MoO{sub 4}){sub 2}:Er{sup 3+}/Yb{sup 3+} UC with intense green emission were synthesized. • The thermometric property based on FIR {sup 2}H{sub 11/2}/{sup 4}S{sub 3/2} → {sup 4}I{sub 15/2} was evaluated. - Abstract: Pursuing highly sensitive thermometry is a permanent goal in recent scientific research, which can be achieved through Fluorescence intensity ratio (FIR) technique due to its fast response, excellent accuracy, high spatial resolution and tunable size. Herein, highly sensitive micro-thermometers based on FIR of the thermal coupled levels (TCLs) {sup 2}H{sub 11/2}/{sup 4}S{sub 3/2} → {sup 4}I{sub 15/2} from Er{sup 3+} in phosphors NaLa(MoO{sub 4}){sub 2}: Yb{sup 3+}/Er{sup 3+} up-conversion (UC) were developed, which emits dazzling green light with the excitation of 980 nm laser and its UC spectra consisted of intense green bands peaked at 530 and 552 nm and a negligible 658 nm red emission ({sup 4}F{sub 9/2} → {sup 4}I{sub 15/2}), respectively. The maximum absolute sensitivity approached to 0.023 K{sup -1} at 490 K through assessing FIR based on thermo-responsive green emissions. Results suggest the present green-emitting phosphors have great potential to serve as UC thermometers with high and stable sensitivity, which greatly meet the growing demand for sensing applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Cyano-ambivalence: Spectroscopy and photophysics of [Ru(diimine)(CN-BR 3 ) 4 ] 2- complexes

The UV–visible absorption and luminescence spectra of [Ru(diimine)(CN) 4 ] 2- derivatives have been tuned over wide ranges through variations in solvent, substituents on the diimine ligand, and boronation of the cyanide ligands. Here, trifluoromethyl substitution at the 4 and 4' positions of the diimine induces red shifts in metal-to-ligand charge-transfer (MLCT) absorption and luminescence bands. Boronation of the cyanide ligands produces substantial blue shifts in MLCT energies. The combination of diimine trifluoromethylation and cyanide boronation produces MLCT blue shifts that are about 75% as large as those produced by boronation alone.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

OzDES Reverberation Mapping of Active Galactic Nuclei: Final Data Release, Black-Hole Mass Results, & Scaling Relations

Over the last decade, the Australian Dark Energy (OzDES) collaboration has used Reverberation Mapping to measure the masses of high redshift supermassive black holes. Here we present the final review and analysis of this OzDES reverberation mapping campaign. These observations use 6-7 years of photometric and spectroscopic observations of 735 Active Galactic Nuclei (AGN) in the redshift range 0.13-3.85 and bolometric luminosity range 44.3 - 47.5 erg/s. Both photometry and spectra are observed in visible wavelengths, allowing for the physical scale of the AGN broad line region to be estimated from reverberations of the H{̱e̱ṯa̱}̱, MgII and CIV emission lines. We successfully use reverberation mapping to constrain the masses of 62 super-massive black holes, and combine with existing data to fit a power law to the lag-luminosity relation for the H{̱e̱ṯa̱}̱ and MgII lines with a scatter of ~0.25 dex, the tightest yet identified, fit specifically for consistency with high redshift AGN. We fit a similarly constrained relation for CIV, resolving a tension with the low luminosity literature AGN by accounting for selection effects arising from finite survey length. We also examine the impact of emission line width and luminosity (related to accretion rate) in reducing the scatter of these scaling relationships and find no significant improvement over the lag-only approach for any of the three lines. Using these relations, we further estimate the masses and accretion rates of 246 AGN with single epoch methods. We also use these relations to estimate the relative sizes of the H{̱e̱ṯa̱}̱, MgII and CIV emitting regions. In short, we provide a comprehensive benchmark of high redshift AGN reverberation mapping at the close of this most recent generation of surveys, including light curves, time-delays, and a set of significantly improved radius-luminosity relations for use with high-redshift populations.

McDougall, Hugh [Queensland U.]↗
DOE OSTI2017

Structural Differentiation between Layered Single (Ni) and Double Metal Hydroxides (Ni–Al LDHs) Using Wavelet Transformation

Layered double hydroxides (LDHs) are anionic clays important in disciplines such as environmental chemistry, geochemistry, and materials science. Developments in signal processing of extended X-ray absorption fine structure (EXAFS) data, such as wavelet transformation (WT), have been used to identify transition metals and Al present in the hydroxide sheets of LDHs. The WT plots of LDHs should be distinct from those of isostructural single metal hydroxides. However, no direct comparison of these minerals appears in the literature using WT. This work systematically analyzes a suite of Ni-rich mineral standards, including Ni–Al LDHs, single metal Ni hydroxides, and Ni-rich silicates using WT. The results illustrate that the WT plots for α-Ni(OH)2 and Ni–Al LDHs are often indistinguishable from each other, with similar two-component plots for the different mineral types. This demonstrates that the WT of the first metal shell often cannot be used to differentiate an LDH from a single metal hydroxide. Interlayer anions adsorbed to the hydroxide sheet of α-Ni(OH)2 affect the EXAFS spectra and are not visible in the FT but are clearly resolved and discrete in the WT.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Lead(II) binding to the chelating agent d -penicillamine in aqueous solution

Here, a spectroscopic investigation of the complexes formed between the Pb(II) ion and d-penicillamine (H 2 Pen), a chelating agent used in the treatment of lead poisoning, was carried out on two sets of alkaline aqueous solutions with C Pb(II) ≈ 10 and 100 mM, varying the H 2 Pen/Pb(II) molar ratio (2.0, 3.0, 4.0, 10.0). Ultraviolet–visible (UV-vis) spectra of the 10 mM Pb(II) solutions consistently showed an absorption peak at 298 nm for S – → Pb(II) ligand-to-metal charge-transfer. The downfield 13 C NMR chemical shift for the penicillamine COO – group confirmed Pb(II) coordination. The 207 Pb NMR chemical shifts were confined to a narrow range between 1806 ppm and 1873 ppm for all Pb(II)-penicillamine solutions, indicating only small variations in the speciation, even in large penicillamine excess. Those chemical shifts are considerably deshielded, relative to the solid-state 207 Pb NMR isotropic chemical shift of 909 ppm obtained for crystalline penicillaminatolead(II) with Pb(S,N,O-Pen) coordination. The Pb L III -edge extended X-ray absorption fine structure (EXAFS) spectra obtained for these solutions were well-modeled with two Pb–S and two Pb-(N/O) bonds with mean distances 2.64 ± 0.04 Å and 2.45 ± 0.04 Å, respectively. The combined spectroscopic results, reporting δ( 207 Pb) ≈ 1870 ppm and λ max ≈ 298 nm for a Pb II S 2 NO site, are consistent with a dominating 1:2 lead(II):penicillamine complex with [Pb(S,N,O-Pen)(S-H n Pen)] 2–n (n = 0–1) coordination in alkaline solutions, and provide useful structural information on how penicillamine can function as an antidote against lead toxicity in vivo .

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

Excitonic linewidth and coherence lifetime in monolayer transition metal dichalcogenides

Atomically thin transition metal dichalcogenides are direct-gap semiconductors with strong light–matter and Coulomb interactions. The latter accounts for tightly bound excitons, which dominate their optical properties. Besides the optically accessible bright excitons, these systems exhibit a variety of dark excitonic states. They are not visible in the optical spectra, but can strongly influence the coherence lifetime and the linewidth of the emission from bright exciton states. We investigate the microscopic origin of the excitonic coherence lifetime in two representative materials (WS 2 and MoSe 2 ) through a study combining microscopic theory with spectroscopic measurements. We also show that the excitonic coherence lifetime is determined by phonon-induced intravalley scattering and intervalley scattering into dark excitonic states. Particularly, we identify exciton relaxation processes involving phonon emission into lower-lying dark states that are operative at all temperatures, in WS 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2014

Stretchable polymeric modulator for intracavity spectroscopic broadening of femtosecond optical parametric oscillators

We investigate stretching-induced microscopic deformations spatially distributed in a flexible plate of polydimethylsiloxane (PDMS) and their applications in the broadening of the output spectrum of a femtosecond optical parametric oscillator. The hologram of the stretched PDMS plate was used to evaluate indirectly the microscopic deformations. The experimental results show that these deformations exhibit weak scattering and diffraction of light and induce negligible cavity loss, ensuring practical applications of the PDMS plate as an intracavity device for lasers. In combination with the thickness reduction of the PDMS plate through stretching, the distributed deformations enable smooth tuning of the output spectrum.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Laser annealing induced ferromagnetism in SrTiO{sub 3} single crystal

The appearance of ferromagnetic order up to 400 K upon KrF (248 nm) laser irradiation is reported in un-doped SrTiO{sub 3} (STO) single crystal. The high resolution x-ray photo emission spectroscopy (XPS) measurements reveal a strong shift of Sr-, Ti-, and O-related peaks. X-ray diffraction of laser annealed STO does not reveal a signature of either secondary magnetic or amorphous phases. 300 K X-band (∼9.543 GHz) angle-dependent electron paramagnetic resonance (EPR) measurements showed no evidence of additional magnetic peaks upon laser irradiation. XPS and EPR data did not provide a strong evidence of Ti{sup 3+} formation upon laser annealing. No differences in the visible 300 K Raman spectra of pristine and laser annealed STO are noticed. Interestingly, the magnetic moment is decreased by almost 10-fold upon oxygen annealing of laser annealed STO, inferring that oxygen vacancies play an important role in establishing the observed ferromagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Origins of optical absorption and emission lines in AlN

To aid the development of AlN-based optoelectronics, it is essential to identify the defects that cause unwanted light absorption and to minimize their impact. Using hybrid functional calculations, we investigate the role of native defects and their complexes with oxygen, a common impurity in AlN. We find that Al vacancies are the source of the absorption peak at 3.4 eV observed in irradiated samples and of the luminescence signals at 2.78 eV. The absorption peak at ∼4.0 eV and higher, and luminescence signals around 3.2 and 3.6 eV observed in AlN samples with high oxygen concentrations are attributed to complexes of Al vacancies and oxygen impurities. We also propose a transition involving Al and N vacancies and oxygen impurities that may be a cause of the absorption band peaked at 2.9 eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗