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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

SHI induced defects in chemically synthesized graphene oxide for hydrogen storage applications

Graphene, due to its unique properties arising from the single carbon layer, is a potential candidate for applications in a variety of fields including sensors, photovoltaics and energy storage. The atomic structure and morphology of the carbon nanomaterials especially graphene can be tailored by energetic ionic irradiation. As graphene sheet is very stable, the surface have less reactivity as compared to the edges of the sheets. By surface modification with energetic ion-beams additional dangling bonds can be formed to enhance the surface activity of the graphene film which could be exploited in a variety of applications. In the present work, graphene oxide was synthesized by improved Hummers’ Method. The irradiation was done with Ag{sup +} ions carrying energy 100 MeV with the fluence of 3×10{sup 13}. Raman spectrum of graphene irradiated by Ag{sup +} beam shows additional disordered peaks of D´ and D+G bands. There is also a decrease in the intensity of D band. AFM images depict the increase in the surface roughness of the films. This can be attributed to the increase in the defects in the flakes and intermixing of adjacent layers by irradiation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Novel Hydrogen Clathrate Hydrate

We report a new hydrogen clathrate hydrate synthesized at 1.2 GPa and 298 K documented by single-crystal x-ray diffraction, Raman spectroscopy, and first-principles calculations. The oxygen sublattice of the new clathrate hydrate matches that of ice II, while hydrogen molecules are in the ring cavities, which results in the trigonal R3c or R¯3c space group (proton ordered or disordered, respectively) and the composition of ( H 2 O) 6 H 2 . Raman spectroscopy and theoretical calculations reveal a hydrogen disordered nature of the new phase $C$$^{'}_{1}$, distinct from the well-known ordered C 1 clathrate, to which this new structure transforms upon compression and/or cooling. Furthermore, this new clathrate phase can be viewed as a realization of a disordered ice II, unobserved before, in contrast to all other ordered ice structures.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Explosive boiling of Ge{sub 35}Sb{sub 10}S{sub 55} glass induced by a CW laser

Graphical abstract: - Highlights: • Interaction of the CW 785 nm laser with chalcogenide GeSbS glass. • First demonstration of the explosive boiling induced by CW laser in glass. • Different processes as photo-induced oxidation, expansion, and viscosity-flow observed. • Applied diagnostics SEM, DHM, AFM, force spectroscopy, and micro-Raman spectroscopy. • Damage threshold determined at 1.2 × 10{sup 24}s{sup −1} cm{sup −3} of absorbed photons. - Abstract: The response of bulk Ge{sub 35}Sb{sub 10}S{sub 55} glass to illumination by a continuous wave (CW) laser, sub-band-gap photons, was studied specifically with an atomic force microscopy including a force spectroscopy, with a digital holographic microscopy and with a scanning electron microscopy. Depending on the number of photons absorbed, photo-expansion, photo-oxidation and explosive boiling were observed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Hydrothermal synthesis of TiO{sub 2}-ZnO-graphene nanocomposite towards photocatalytic and photovoltaic applications

Titanium dioxide (TiO{sub 2}) - Zinc oxide (ZnO) - Graphene (G) nanocomposite was successfully synthesized through facile hydrothermal method. The X-ray diffraction (XRD) pattern and the micro-Raman spectroscopic technique revealed the formation of TiO{sub 2}-ZnO-Graphene (TZG) nanocomposite. The ZnO and TiO{sub 2} nanoparticles decorated graphene sheets were clearly noticeable in the Field Emission Scanning Electron Micrograph (FE-SEM). The UV-Visible absorption spectra clearly indicated that the formation of TZG nanocomposite enriched the absorption in the visible region. Hence, the prepared nanocomposite can be used as photocatalyst to remove organic dyes from water and as photoanode in the fabrication of dye sensitized solar cells (DSSCs)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Improved optical and electrical properties of 200 MeV Ag{sup 15+} irradiated 3 wt% 'Li' doped MoO{sub 3} thin film

The lithium (3 wt%) doped MoO{sub 3} thin film was prepared by spray deposition onto ITO substrate at 325 Degree-Sign C. The film of thickness 577 nm was irradiated with 200 MeV Ag{sup 15+} ion beams at a fluence of 5 Multiplication-Sign 10{sup 12} ions/cm{sup 2}. The XRD pattern confirmed that the pristine film is polycrystalline with orthorhombic symmetry. Upon irradiation, the film turned amorphous. The sharp Raman peak in pristine film at 993 cm{sup -1} is due to the terminal oxygen of {alpha}-MoO{sub 3} phase. Optical transparency of the film increased upon irradiation. Large red shift was observed in both direct and indirect band gaps. Electrical transport property study shows that the carrier concentration increased by one order for the irradiated film.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Catastrophic nanosecond laser induced damage in the bulk of potassium titanyl phosphate crystals

Due to its high effective nonlinearity and the possibility to produce periodically poled crystals, potassium titanyl phosphate (KTiOPO{sub 4}, KTP) is still one of the economically important nonlinear optical materials. In this overview article, we present a large study on catastrophic nanosecond laser induced damage in this material and the very similar RbTiOPO{sub 4} (RTP). Several different systematic studies are included: multiple pulse laser damage, multi-wavelength laser damage in KTP, damage resistance anisotropy, and variations of the laser damage thresholds for RTP crystals of different qualities. All measurements were carried out in comparable experimental conditions using a 1064 nm Q-switched laser and some were repeated at 532 nm. After summarizing the experimental results, we detail the proposed model for laser damage in this material and discuss the experimental results in this context. According to the model, nanosecond laser damage is caused by light-induced generation of transient laser-damage precursors which subsequently provide free electrons that are heated by the same nanosecond pulse. We also present a stimulated Raman scattering measurement and confront slightly different models to the experimental data. Finally, the physical nature of the transient damage precursors is discussed and similarities and differences to laser damage in other crystals are pointed out.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Damage and strain in single-layer graphene induced by very-low-energy electron-beam irradiation

From the analysis of the ratio of D peak intensity to G peak intensity in Raman spectroscopy, electron beam irradiation with energies of 100 eV was found to induce damage in single-layer graphene. The damage becomes larger with decreasing electron beam energy. Internal strain in graphene induced by damage under irradiation is further evaluated based on G peak shifts. The dose-dependent internal strain was approximately 2.22% cm{sup 2}/mC at 100 eV and 2.65 Multiplication-Sign 10{sup -2}% cm{sup 2}/mC at 500 eV. The strain induced by the irradiation showed strong dependence on electron energy.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Controllable synthesis of stoichiometric Cu{sub 2}ZnSnS{sub 4} nanoparticles by solvothermal method and its properties

This work reports the solvothermal synthesis of earth abundant Cu{sub 2}ZnSnS{sub 4} (CZTS) nanoparticles and their structural, morphological, chemical and optical properties. The X-ray diffraction and Raman spectroscopy confirmed the formation of single phase CZTS with kesterite crystal structure. Transmission electron microscopy showed the formation of well-dispersed CZTS nanoparticles having a size ∼ 6 to 12 nm. The stoichiometric ratio of relative elemental of Cu: Zn: Sn: S is confirmed from the energy dispersive spectrometer. The optical absorption studies revealed that CZTS nanoparticles had an optical band gap of 1.52 eV, which is the optimal for the photovoltaic applications. The surfactant HMTA plays a key role in the synthesis of CZTS nanoparticles. Finally, a possible reaction mechanism for the formation of CZTS nanoparticles is proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Scandium induced structural transformation and B′:B″ cationic ordering in Pb(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} multiferroic ceramics

The current study explores non-magnetic Sc{sup 3+} induced structural transformation, evolution of local B-site cation ordering and associated effect on ferroelectric phase transition temperature T{sub max} (temperature corresponding to dielectric maxima) on increasing the atom percent of Sc substitution in [Pb(Fe{sub 0.5}Nb{sub 0.5})O{sub 3} (PFN)] ceramics. In this regard, the phase pure Pb[(Fe{sub 0.5−x}Sc{sub x})Nb{sub 0.5}]O{sub 3} ceramics with x varying from 0 to 0.5 were synthesized through solid state reaction route. The detailed structural analysis through Rietveld refinement confirms the room temperature transformation from a monoclinic Cm to rhombohedral R3m structure at x = 0.3 mol. % of Sc. Absorption spectra studies show that there is a considerable increment in the bandgap at higher scandium content. Most interestingly, the T{sub max} exhibited an increment for lower scandium contents (x = 0.1 to 0.25) followed by a drop in T{sub max} (x = 0.3 to 0.5). Such anomalous behavior in T{sub max} is expected to arise due to the onset of B′, B″ local cation ordering beyond Sc content x = 0.25. The B-site cation ordering at and beyond x = 0.3 was also confirmed by the evolution of cation order induced Pb-O coupled vibrational mode in Raman scattering studies. In addition, the Mössbauer spectra of PFN (x = 0) and Pb(Fe{sub 0.4}Sc{sub 0.1}Nb{sub 0.5})O{sub 3} (x = 0.1) are reported to verify the spin state and oxidation state of iron. The lattice distortion due to the radius ratio difference between a Sc{sup 3+} cation and Fe{sup 3+} cation in low spin state is responsible for the structural transformation, which in turn facilitates a B′:B″ cation ordering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Isochronal annealing study of X-ray induced defects in single- and double-walled carbon nanotubes

X-ray induced defects in single-walled (SWCNTs) and double-walled carbon nanotubes (DWCNTs) were characterized by Raman scattering spectroscopy. Frenkel defects, interstitial-vacancy pairs, were revealed to form in both SWCNTs and DWCNTs after X-ray irradiation because these defects were entirely healed by thermal annealing. In order to clarify the structure of the X-ray induced defect in SWCNT and DWCNT, isochronal-annealing experiments were performed on the irradiated samples and the activation energy for defect healing was estimated. The intensity of D band (defect induced band) on Raman spectra was used as a measure of the density of X-ray induced defects. The experimental results were in good agreement with the simulated values using second order reaction model, which indicated that the defect healing was determined by the migration energy of interstitials on the carbon layer. We also found that the activation energy for defect healing of SWCNT and DWCNT were around 0.5 eV and 0.32 eV, respectively. The X-ray induced defects in SWCNTs were more stable than those in DWCNTs. Compared these estimated activation energies to previous theoretical reports, we concluded that bridge and/or dumbbell interstitials are formed in both SWCNT and DWCNT by X-ray irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Synthesis and characterization of large-grain solid-phase crystallized polycrystalline silicon thin films

n-type polycrystalline silicon (poly-Si) films with very large grains, exceeding 30 μm in width, and with high Hall mobility of about 71.5 cm{sup 2}/V s are successfully prepared by the solid-phase crystallization technique on glass through the control of the PH{sub 3} (2% in H{sub 2})/SiH{sub 4} gas flow ratio. The effect of this gas flow ratio on the electronic and structural quality of the n-type poly-Si thin film is systematically investigated using Hall effect measurements, Raman microscopy, and electron backscatter diffraction (EBSD), respectively. The poly-Si grains are found to be randomly oriented, whereby the average area weighted grain size is found to increase from 4.3 to 18 μm with increase of the PH{sub 3} (2% in H{sub 2})/SiH{sub 4} gas flow ratio. The stress in the poly-Si thin films is found to increase above 900 MPa when the PH{sub 3} (2% in H{sub 2})/SiH{sub 4} gas flow ratio is increased from 0.025 to 0.45. Finally, high-resolution transmission electron microscopy, high angle annular dark field-scanning tunneling microscopy, and EBSD are used to identify the defects and dislocations caused by the stress in the fabricated poly-Si films.

36 MATERIALS SCIENCE↗
DOE OSTI2014

The effect of external magnetic field on the Raman peaks in manganites

We report here a microscopic theoretical model study exhibiting the effect of external magnetic field on the Raman excitation peaks in the CMR manganite system. The Hamiltonian consists of Jahn-Teller (J-T) distortion in e{sub g} band, the double exchange interaction and the Heisenberg spin-spin interaction. Further the phonons are coupled to e{sub g} band electrons, J-T distorted e{sub g} band and the double exchange interaction. The Raman spectral intensity is calculated from the imaginary part of the phonon Green function. The spectra exhibits three peaks besides a very weak high energy peak. The magnetic field effect on these peaks are reported.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Characterization of the degradation of gamma-irradiated elastomers using Raman spectroscopy

This report presents key findings from Raman spectroscopic analysis of gamma-irradiated rubber samples extracted from a laminated lead-damped rubber (LDR) seismic isolation device. The samples were exposed to gamma radiation from a 60Co source in a Foss Therapy Services gamma irradiator, reaching absorbed doses up to 1600 kGy. A distinct threshold near 400 kGy was identified, beyond which significant spectral changes were observed. Two Raman peaks - at approximately 425 cm-1 and 2440 cm-1 - were tracked as a function of dose using Gaussian fitting. The 425 cm-1 peak, attributed to sulfur–sulfur (S–S) bond stretching (resulting from vulcanization of the rubber), exhibited a dose-dependent upshift, indicating radiation-induced crosslinking within the sulfur-based polymer network. Conversely, the 2440 cm-1 peak, likely associated with vibrational modes of additives or impurities, showed a downward shift with increasing dose, suggesting chain scission and degradation of non-rubber constituents. These results provide first-of-a-kind insights into the microstructural evolution of elastomers under high-dose gamma irradiation and establish a preliminary dose threshold for significant degradation. Future work will incorporate multi-modal characterization—including Fourier Transform Infrared (FTIR) spectroscopy, scanning electrom microscopy (SEM) of the rubber surface morphology, thermogravimetric analysis (TGA) to determine changes in thermal stability, and mechanical testing—to correlate molecular-level changes with macroscopic performance of these elastomers as damping media in seismic isolation devices. These findings are expected to provide regulatory guidance and design criteria for qualifying low-damping rubber seismic isolators in advanced nuclear reactor applications.

36 - MATERIALS SCIENCE↗
DOE OSTI2018

Phase transition systematics in BiVO 4 by means of high-pressure–high-temperature Raman experiments

We report here high-pressure–high-temperature Raman experiments performed on BiVO4. We characterized the fergusonite and scheelite phases (powder and single crystal samples) and the zircon polymorph (nanopowder). The experimental results are supported by ab initio calculations, which, in addition, provide the vibrational patterns. The temperature and pressure behavior of the fergusonite lattice modes reflects the distortions associated with the ferroelastic instability. The linear coefficients of the zircon phase are in sharp contrast to the behavior observed in the fergusonite phase. The boundary of the fergusonite-to-scheelite second-order phase transition is given by T F–Sch (K) = –166(8) P (GPa) + 528(5). The zircon-to-scheelite, irreversible, first-order phase transition takes place at T Z–Sch (K) = –107(8) P(GPa) + 690(10). We found evidence of additional structural changes around 15.7 GPa, which in the downstroke were found to be not reversible. We analyzed the anharmonic contribution to the wave-number shift in fergusonite using an order parameter. As a result, the introduction of a critical temperature depending both on temperature and pressure allows for a description of the results of all the experiments in a unified way.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Experimental estimation of the bisulfite isomer quotient as a function of temperature: Implications for sulfur isotope fractionations in aqueous sulfite solutions

Bisulfite (HSO 3 - ) and sulfite (SO 3 2- ) compounds play key roles in numerous geochemical and biochemical processes extending from the atmosphere to the subseafloor biosphere. Despite decades of spectroscopic investigations, the molecular composition of HSO 3 - in solution remains uncertain and, thus, the role of bisulfite in (bio)chemical and isotope fractionation processes is unclear. We report new experimental estimates for the bisulfite isomer quotient (Qi= [(HO)SO 2 - ]/[(HS)O3-]; [] = concentration) as a function of temperature from the interpretation of Raman spectra collected from aqueous NaHSO 3 solutions contained in fused silica capsules. In pure NaHSO 3 solutions (1Na + :1HSO 3 - , stoichiometric) over [NaHSO 3 ] = 0.2–0.4 m (moles/kg H 2 O), the following relationship is obtained: ln(Q i )=[formula omitted]-1.9642(±0.1081),where T = 278–358 K (5–85 °C) (based on 50 determinations; additional significant figures are provided to avoid rounding errors). This relationship suggests that the minor isomer, (HS)O 3 - , may comprise 23–38% (±3%) of the mole fraction of HSO 3 - over 5–85 °C, respectively, which is higher in relative abundance than has generally been understood previously. We additionally provide estimates for Q i in NaHSO 3 solutions containing a total ionic strength of µ = 1.0 m (0.2 m NaHSO 3 + 0.8 m NaCl) and different pH (3.3–4.5), but do not appear to resolve any significant differences in Q i as a function of these additional variables. These new values of Q i are employed to re-assess the bulk sulfur isotope fractionations among bisulfite and other S(IV) compounds as a function of temperature, which appear to be highly dependent on the amount of (HS)O 3 - present. Our new constraints on the bisulfite isomer quotient may allow for a detailed assessment of the molecular composition and isotope mass balance of S(IV) solutions containing HSO 3 - , and may be useful in the further investigation of the mechanisms and isotope fractionations associated with a number of processes that involve bisulfite compounds. Furthermore, these may include the intracellular enzymatic transformations of sulfite and bisulfite compounds that occur as part of dissimilatory sulfate reduction, which is a major and geologically important form of anaerobic respiration.

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

Size-dependent structural phase transitions and their correlation with photoluminescence and optical absorption behavior of annealed Zn0.45Cd0.55S quantum dots

Highlights: • Thermal Induced Structural Phase transition in nanostructured Zn{sub 0.45}Cd{sub 0.55}S. • Low temperature structural phase transition from cubic to hexagonal structure. • Thermal annealing effect on FTIR and Raman Spectra. • Thermal annealing effect on optical absorption of Zn{sub 0.45}Cd{sub 0.55}S nanoparticles. • Excitation-wavelength dependent photoluminescence emission spectra. - Abstract: In this paper, we investigate the effect of thermally induced structural phase transitions on the photoluminescence (PL) and optical absorption behaviour of Zn{sub 0.45}Cd{sub 0.55}S nanoparticles (NPs). Analysis of X-ray diffraction (XRD) patterns and high-resolution electron microscope (HRTEM) images reveal that the as-synthesized sample possesses zinc-blende-type cubic structure. In addition, at annealing temperature (T{sub a}) 400 °C, the cubic structure transforms completely into the wurtzite-type hexagonal structure. Furthermore, the second phase transition of the as-synthesized sample has observed at 700 °C, where the cubic structure has transformed into mixed polycrystalline phases of hexagonal ZnO, cubic CdO, monoclinic CdSO{sub 3}, and orthorhombic ZnSO{sub 4} structures. These new phases have also confirmed from the analysis of Raman and FTIR spectra. Analysis of UV–visible optical absorption spectra demonstrates that Increasing T{sub a} results in the decrease of optical band gap due the improvement in crystallinity accompanied by the increase in the particle size. The PL emission bands at an excitation energy of 3.818 eV exhibit redshift and a decrease in the intensity with increasing T{sub a} up to 500 °C. Meanwhile, further increase in T{sub a} up to 700 °C results in the enhancement of green emission intensity. On the other hand, PL emission spectra at 3.354 eV and T{sub a} 700 °C, reveal a dramatic increase in the emission intensity nearly by one-order of magnitude with respect to its value of the as-synthesized sample. This behaviour is ascribed to the incorporation of oxygen-related defects via thermal annealing in air, which act as additive radiative centers. Also, we have interpreted the observed spectral blue shift of PL emission spectrum with increasing excitation energy.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Photochromism of Composite Organometallic Nanostructures Based on Diarylethenes. II. Vibrational Spectroscopy and Quantum Chemistry Studies

The structure and photochromic transformations of nanostructured organometallic composites consisting of Ag nanoparticles with shells of photochromic diarylethenes (DAEs) deposited from various solutions onto the nanoparticles were studied using infrared absorption and surface enhanced Raman scattering (SERS) vibrational spectroscopy and quantum chemistry. The studied nanostructures exhibited photochromic properties manifested as reversible photoinduced changes of the relative intensities of SERS bands related to vibrations of bonds participating in the reversible photoisomerization. Spectral manifestations of chemical interaction between metal nanoparticles and DAE molecules were detected.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Sers Imaging of Nasopharyngeal Carcinoma Markers Using an Antibody-Conjugated Gold Nanoparticles Probe

Surface-enhanced Raman scattering (SERS) nanotags as an ultrasensitive nanoprobe is becoming popular for the detection of biomarkers. Herein, antibody-conjugated gold nanoparticles (AuNPs) were used to target LMP2A in an LMP2A-infected CNE2 cell line. SERS maps showed that the LMP2A was distributed around the cell, which was consistent with the results of immunofl uorescence staining in the previous report. This location could be due to the specific binding of the bioconjugated nanotags to the receptors on the cell surface. However, the CNE2 cell line without LMP2A-infected showed no detectable signal at 1044 cm{sup –1}. The results demonstrated the potential feasibility of AuNPs nanotags as highly sensitive probes conjugated at the subcellular level for detection and localization of cancer markers in nasopharyngeal carcinoma (NPC).

77 NANOSCIENCE AND NANOTECHNOLOGY↗