ALD Produced B{sub 2}O{sub 3}, Al{sub 2}O{sub 3} and TiO{sub 2} Coatings on Gd{sub 2}O{sub 3} Burnable Poison Nanoparticles and Carbonaceous TRISO Coating Layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weimer, Alan

2012-11-26

This project will demonstrate the feasibility of using atomic layer deposition (ALD) to apply ultrathin neutron-absorbing, corrosion-resistant layers consisting of ceramics, metals, or combinations thereof, on particles for enhanced nuclear fuel pellets. Current pellet coating technology utilizes chemical vapor deposition (CVD) in a fluidized bed reactor to deposit thick, porous layers of C (or PyC) and SiC. These graphitic/carbide materials degrade over time owing to fission product bombardment, active oxidation, thermal management issues, and long-term irradiation effects. ALD can be used to deposit potential ceramic barrier materials of interest, including ZrO{sub 2}, Y{sub 2}O{sub 3}:ZrO{sub 2} (YSZ), Al{sub 2}O{sub 3},more » and TiO{sub 2}, or neutron-absorbing materials, namely B (in BN or B{sub 2}O{sub 3}) and Gd (in Gd{sub 2}O{sub 3}). This project consists of a two-pronged approach to integrate ALD into the next-generation nuclear plant (NGNP) fuel pellet manufacturing process:« less

Structure analysis of BaCe{sub 0.8}Y{sub 0.2}O{sub 3−δ} in dry and wet atmospheres by high-temperature X-ray diffraction measurement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, Donglin, E-mail: han.donglin.8n@kyoto-u.ac.jp; Majima, Masatoshi; Uda, Tetsuya, E-mail: materials_process@aqua.mtl.kyoto-u.ac.jp

2013-09-15

High temperature X-ray diffraction measurements were performed under dry and wet atmospheres to investigate phase behavior of BaCe{sub 0.8}Y{sub 0.2}O{sub 3−δ} (BCY20). In the temperature range of 30–400 °C, BCY20 was identified to be rhombohedral and monoclinic structures in dry and wet atmospheres, respectively. Larger lattice volumes were obtained in a wet atmosphere due to a chemical expansion induced by water incorporation. A gradual change in diffraction peak shape due to a phase transformation from rhombohedral to monoclinic was observed at 300 °C when moisture was introduced into the atmosphere. These results indicated clearly the dependence of phase behavior ofmore » BCY20 on partial pressure of water vapor in atmosphere. - Graphical abstract: A BaCe{sub 0.8}Y{sub 0.2}O{sub 3−δ} rhombohedral phase transited to a monoclinic phase at 300 °C when moisture was introduced into the atmosphere. Display Omitted - Highlights: • Different structures for hydrated and dehydrated BaCe{sub 0.8}Y{sub 0.2}O{sub 3−δ} (BCY20). • Slow phase transition from rhombohedral to monoclinic at 300 °C in wet atmosphere. • Chemical expansion of BCY20 in wet atmosphere. • Importance of considering moisture when discussing phase behavior of BCY20.« less

Improvement of bias-stability in amorphous-indium-gallium-zinc-oxide thin-film transistors by using solution-processed Y{sub 2}O{sub 3} passivation

DOE Office of Scientific and Technical Information (OSTI.GOV)

An, Sungjin; Mativenga, Mallory; Kim, Youngoo

2014-08-04

We demonstrate back channel improvement of back-channel-etch amorphous-indium-gallium-zinc-oxide (a-IGZO) thin-film transistors by using solution-processed yttrium oxide (Y{sub 2}O{sub 3}) passivation. Two different solvents, which are acetonitrile (35%) + ethylene glycol (65%), solvent A and deionized water, solvent B are investigated for the spin-on process of the Y{sub 2}O{sub 3} passivation—performed after patterning source/drain (S/D) Mo electrodes by a conventional HNO{sub 3}-based wet-etch process. Both solvents yield devices with good performance but those passivated by using solvent B exhibit better light and bias stability. Presence of yttrium at the a-IGZO back interface, where it occupies metal vacancy sites, is confirmed by X-ray photoelectronmore » spectroscopy. The passivation effect of yttrium is more significant when solvent A is used because of the existence of more metal vacancies, given that the alcohol (65% ethylene glycol) in solvent A may dissolve the metal oxide (a-IGZO) through the formation of alkoxides and water.« less

The effects of energy transfer on the Er{sup 3+} 1.54 {mu}m luminescence in nanostructured Y{sub 2}O{sub 3} thin films with heterogeneously distributed Yb{sup 3+} and Er{sup 3+} codopants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoang, J.; Chang, J. P.; Schwartz, Robert N.

2012-09-15

We report the effects of heterogeneous Yb{sup 3+} and Er{sup 3+} codoping in Y{sub 2}O{sub 3} thin films on the 1535 nm luminescence. Yb{sup 3+}:Er{sup 3+}:Y{sub 2}O{sub 3} thin films were deposited using sequential radical enhanced atomic layer deposition. The Yb{sup 3+} energy transfer was investigated for indirect and direct excitation of the Yb {sup 2}F{sub 7/2} state using 488 nm and 976 nm sources, respectively, and the trends were described in terms of Forster and Dexter's resonant energy transfer theory and a macroscopic rate equation formalism. The addition of 11 at. % Yb resulted in an increase in themore » effective Er{sup 3+} photoluminescence (PL) yield at 1535 nm by a factor of 14 and 42 under 488 nm and 976 nm excitations, respectively. As the Er{sub 2}O{sub 3} local thickness was increased to greater than 1.1 A, PL quenching occurred due to strong local Er{sup 3+}{r_reversible} Er{sup 3+} excitation migration leading to impurity quenching centers. In contrast, an increase in the local Yb{sub 2}O{sub 3} thickness generally resulted in an increase in the effective Er{sup 3+} PL yield, except when the Er{sub 2}O{sub 3} and Yb{sub 2}O{sub 3} layers were separated by more than 2.3 A or were adjacent, where weak Yb{sup 3+}{r_reversible} Er{sup 3+} coupling or strong Yb{sup 3+}{r_reversible} Yb{sup 3+} interlayer migration occurred, respectively. Finally, it is suggested that enhanced luminescence at steady state was observed under 488 nm excitation as a result of Er{sup 3+}{yields} Yb{sup 3+} energy back transfer coupled with strong Yb{sup 3+}{r_reversible} Yb{sup 3+} energy migration.« less

The modification of BaCe{sub 0.5}Zr{sub 0.3}Y{sub 0.2}O{sub 3–δ} with copper oxide: Effect on the structural and transport properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lyagaeva, Yu. G.; Vdovin, G. K.; Nikolaenko, I. V.

2016-06-15

The effect of the content of CuO additive on the sinterability, phase composition, microstructure, and electrical properties of BaCe{sub 0.5}Zr{sub 0.3}Y{sub 0.2}O{sub 3–δ} proton-conducting material is studied. Ceramic samples were produced by the citrate–nitrate synthesis method with the addition of 0, 0.25, 0.5, and 1% CuO. It is shown that the relative density of the samples containing 0.5 and 1% CuO is higher than 94% at a sintering temperature of 1450°C, whereas the relative density of the material is no higher than 85% at a lower content of the sintering additive. From the data of X-ray diffraction analysis and scanningmore » electron microscopy, it is established that the introduction of a small CuO content (0.25%) is inadequate for single-phase and high-dense ceramics to be formed. The conductivity and scanning electron microscopy data show that the sample with BaCe{sub 0.5}Zr{sub 0.3}Y{sub 0.2}O{sub 3–δ} + 0.5% CuO composition possesses high total and ionic conductivities as well as a high degree of microstructural stability after hydrogen reduction of the ceramics. The citrate–nitrate method modified by the introduction of a small CuO content can be recommended for the production of single-phase, gas-tight, and high-conductivity electrolytes based on both BaCeO{sub 3} and BaZrO{sub 3}.« less

Optimization of the deposition conditions and structural characterization of Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub 7-x} thin superconducting films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chrzanowski, J.; Meng-Burany, S.; Xing, W.B.

1994-12-31

Two series of Y{sub 1}Ba{sub 2}Cu{sub 3}O{sub z} thin films deposited on (001) LaAlO{sub 3} single crystals by excimer laser ablation under two different protocols have been investigated. The research has yielded well defined deposition conditions in terms of oxygen partial pressure p(O{sub 2}) and substrate temperature of the deposition process T{sub h}, for the growth of high quality epitaxial films of YBCO. The films grown under conditions close to optimal for both j{sub c} and T{sub c} exhibited T{sub c}{ge}91 K and j{sub c}{ge}4 x 10{sup 6} A/cm{sup 2}, at 77 K. Close correlations between the structural quality ofmore » the film, the growth parameters (p(O{sub 2}), T{sub h}) and j{sub c} and T{sub c} have been found.« less

Electronic structure of Pr{sub 1{minus}x}Y{sub x}Ba{sub 2}Cu{sub 3}O{sub y} (x=0, 0.5, and 1.0)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kakinuma, K.; Fueki, K.

1997-08-01

In order to elucidate the reason why PrBa{sub 2}Cu{sub 3}O{sub y}is not a superconductor, we examined the Pr valence and measured the oxygen nonstoichiometry and the conductivity at temperatures up to 1200 K for three kinds of oxides, PrBa{sub 2}Cu{sub 3}O{sub y}, (Pr{sub 0.5}Y{sub 0.5})Ba{sub 2}Cu{sub 3}O{sub y}, and YBa{sub 2}Cu{sub 3}O{sub y}. The valence of Pr was found to be +3. Any difference was not found in oxygen nonstoichiometry and conductivity among three kinds of oxides. We analyzed the data of oxygen nonstoichiometry on the basis of defect thermodynamics and calculated the numbers of Cu{sup +}, Cu{sup 2+}, andmore » Cu{sup 3+} ions in the unit cell as a function of y. The number of Cu{sup 3+} ions (the amount of holes) was found to be proportional to ({Delta}y){sup 1.6}({Delta}y=y{minus}6.0), whereas the conductivity was found to be proportional to ({Delta}y){sup 3.2} in these oxides. We interpreted the remarkable increase of {sigma} with {Delta}y as an evidence of the increase of both mobility and hole concentration with {Delta}y. At high temperatures, we detected the conductivity minimum {sigma}{sub min} which was found in the log{sub 10}{sigma}{minus}log{sub 10}P{sub O{sub 2}} plot at constant temperatures. From the slope of the Arrhenius plot for {sigma}{sub min}, the band gap was determined to be 1.21, 1.32, and 1.37 eV for PrBa{sub 2}Cu{sub 3}O{sub y}, (Pr{sub 0.5}Y{sub 0.5})Ba{sub 2}Cu{sub 3}O{sub y} and YBa{sub 2}Cu{sub 3}O{sub y}, respectively. We determined the conductivity of the same oxygen content as a function of temperature from 4.2 to 1200 K. The energy gap {Delta}E between the acceptor level and the top of the valence band was calculated from the slope of the Arrhenius plot for conductivity. {Delta}E for superconducting YBa{sub 2}Cu{sub 3}O{sub y} and (Pr{sub 0.5}Y{sub 0.5})Ba{sub 2}Cu{sub 3}O{sub y} were zero at 300 K but that for nonsuperconducting PrBa{sub 2}Cu{sub 3}O{sub y} was 20 meV at 100 K even for y=6.93. (Abstract

Efficient lasing in Yb:(YLa){sub 2}O{sub 3} ceramics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Snetkov, I L; Mukhin, I B; Palashov, O V

2015-02-28

A high-optical-quality sample of Yb{sub 0.1}Y{sub 1.7}La{sub 0.2}O{sub 3} ceramics is prepared using a recently developed technique of selfpropagating high-temperature synthesis of rare-earth-doped yttrium oxide nanopowder from acetate – nitrates of metals. Its optical and spectral characteristics are studied, and quasi-cw lasing at a wavelength of 1033 nm is achieved with a power of 7 W and a slope efficiency of 25%. (lasers)

Growth and spin-wave properties of thin Y{sub 3}Fe{sub 5}O{sub 12} films on Si substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stognij, A. I.; Novitskii, N. N.; Lutsev, L. V., E-mail: l-lutsev@mail.ru

2015-07-14

We describe synthesis of submicron Y{sub 3}Fe{sub 5}O{sub 12} (YIG) films sputtered on Si substrates and present results of the investigation of ferromagnetic resonance (FMR) and spin waves in YIG/SiO{sub 2}/Si structures. It is found that decrease of the annealing time leads to essential reduction of the FMR linewidth ΔH and, consequently, to reduction of relaxation losses of spin waves. Spin-wave propagation in in-plane magnetized YIG/SiO{sub 2}/Si structures is studied. We observe the asymmetry of amplitude-frequency characteristics of the Damon-Eshbach spin waves caused by different localizations of spin waves at the free YIG surface and at the YIG/SiO{sub 2} interface.more » Growth of the generating microwave power leads to spin-wave instability and changes amplitude-frequency characteristics of spin waves.« less

The Bi{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}–Sb{sub 2}O{sub 5} system phase diagram refinement, Bi{sub 3}FeSb{sub 2}O{sub 11} structure peculiarities and magnetic properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Egorysheva, A.V., E-mail: anna_egorysheva@rambler.ru; Ellert, O.G.; Gajtko, O.M.

2015-05-15

The refinement of the Bi{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}–Sb{sub 2}O{sub 5} system phase diagram has been performed and the existence of the two ternary compounds has been confirmed. The first one with a pyrochlore-type structure (sp. gr. Fd 3-barm) exists in the wide solid solution region, (Bi{sub 2−x}Fe{sub x})Fe{sub 1+y}Sb{sub 1−y}O{sub 7±δ}, where x=0.1–0.4 and y=−0.13–0.11. The second one, Bi{sub 3}FeSb{sub 2}O{sub 11}, corresponds to the cubic KSbO{sub 3}-type structure (sp. gr. Pn 3-bar) with unit cell parameter a=9.51521(2) Å. The Rietveld structure refinement showed that this compound is characterized by disordered structure. The Bi{sub 3}FeSb{sub 2}O{sub 11} factor groupmore » analysis has been carried out and a Raman spectrum has been investigated. According to magnetization measurements performed at the temperature range 2–300 K it may be concluded that the Bi{sub 3}FeSb{sub 2}O{sub 11} magnetic properties can be substantially described as a superposition of strong short-range antiferromagnetic exchange interactions realizing inside the [(FeSb{sub 2})O{sub 9}] 3D-framework via different pathways. - Graphical abstract: The refinement of the Bi{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}–Sb{sub 2}O{sub 5} system phase diagram has been performed and the existence of the solid solution with a pyrochlore-type structure (sp. gr. Fd 3-barm) and Bi{sub 3}FeSb{sub 2}O{sub 11}, correspond of the cubic KSbO{sub 3}-type structure (sp. gr. Pn 3-bar has been confirmed. The structure refinement, Raman spectroscopy as well as magnetic measurements data of Bi{sub 3}FeSb{sub 2}O{sub 11} are presented. - Highlights: • The Bi{sub 2}O{sub 3}–Fe{sub 2}O{sub 3}–Sb{sub 2}O{sub 5} system phase diagram refinement has been performed. • The Bi{sub 3}FeSb{sub 2}O{sub 11} existence along with pyrochlore structure compound is shown. • It was determined that the Bi{sub 3}FeSb{sub 2}O{sub 11} is of disordered cubic KSbO{sub 3}-type structure. • Factor group

Phase transformation and sustained load crack growth in ZrO[sub 2] + 3 mol% Y[sub 2]O[sub 3]: Experiments and kinetic modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yin, H.; Gao, M.; Wei, R.P.

1995-01-01

To better understand environmentally assisted crack growth (SCG) in yttria stabilized zirconia, experimental studies were undertaken to characterize the kinetics of crack growth and the associated stress/moisture induced phase transformation in ZrO[sub 2] + 3 mol% Y[sub 2]O[sub 3] (3Y-TZP) in water, dry nitrogen and toluene from 3 to 70 C. The results showed that crack growth in water depended strongly on stress intensity factor (K[sub 1]) and temperature (T) and involved the transformation of a thin layer of material near the crack tip from the tetragonal (t) to the monoclinic (m) phase. These results, combined with literature data onmore » moisture-induced phase transformation, suggested that crack growth enhancement by water is controlled by the rate of this transformation and reflects the environmental cracking susceptibility of the transformed m-phase. A model was developed to link subcritical crack growth (SCG) rate to the kinetics of t [yields] m phase transformation. The SCG rate is expressed as an exponential function of stress-free activation energy, a stress-dependent contribution in terms of the mode 1 stress intensity factor K[sub I] and actuation volume, and temperature. The stress-free activation energies for water and the inert environments were determined to be 82 [+-] 3 and 169 [+-] 4 kJ/mol, respectively, at the 95% confidence level, and the corresponding activation volumes were 14 and 35 unit cells. The decreases in activation energy and activation volume may be attributed to a change in surface energy by water.« less

Li{sub 3}Gd{sub 3}Te{sub 2}O{sub 12}:Eu{sup 3+}- an intense red phosphor for solid state lighting applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tiwari, Hansnath; Asiri Naidu, S.; Varadaraju, U.V., E-mail: varada@iitm.ac.in

Li{sub 3}Gd{sub 3−3x}Eu{sub 3x}Te{sub 2}O{sub 12} (x=0.05−1.0) phases with garnet structure were synthesized by high temperature solid state reaction and the photoluminescence properties were investigated. The appearance of bands due to intra 4 f transitions of Gd{sup 3+} in the excitation spectra recorded by monitoring the 612 nm emission line of the activator indicates Gd{sup 3+}→Eu{sup 3+} energy transfer in this host lattice. Under 395 nm excitation, the electric dipole transition is predominant in the emission spectrum of Eu{sup 3+} and is in agreement with the C{sub 2} point group (noncentrosymmetric) of the EuO{sub 8} polyhedron. The critical concentration ofmore » the Eu{sup 3+} activator in this series was found to be 0.6 (x=0.2) above which, concentration quenching occurs. The emission intensity of the phosphor composition, Li{sub 3}Gd{sub 2.4}Eu{sub 0.6}Te{sub 2}O{sub 12} is ~4 times that of the commercial sample of Y{sub 2}O{sub 3}:Eu{sup 3+} phosphor. - Highlights: • New Eu{sup 3+} doped garnet. • Intense electric dipole emission. • Gd{sup 3+}→Eu{sup 3+} energy transfer.« less

Ion-beam irradiation of lanthanum compounds in the systems La{sub 2}O{sub 3}-Al{sub 2}O{sub 3} and La{sub 2}O{sub 3}-TiO{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Whittle, Karl R., E-mail: karl.whittle@ansto.gov.a; Lumpkin, Gregory R.; Blackford, Mark G.

2010-10-15

Thin crystals of La{sub 2}O{sub 3}, LaAlO{sub 3}, La{sub 2/3}TiO{sub 3}, La{sub 2}TiO{sub 5}, and La{sub 2}Ti{sub 2}O{sub 7} have been irradiated in situ using 1 MeV Kr{sup 2+} ions at the Intermediate Voltage Electron Microscope-Tandem User Facility (IVEM-Tandem), Argonne National Laboratory (ANL). We observed that La{sub 2}O{sub 3} remained crystalline to a fluence greater than 3.1x10{sup 16} ions cm{sup -2} at a temperature of 50 K. The four binary oxide compounds in the two systems were observed through the crystalline-amorphous transition as a function of ion fluence and temperature. Results from the ion irradiations give critical temperatures for amorphisationmore » (T{sub c}) of 647 K for LaAlO{sub 3}, 840 K for La{sub 2}Ti{sub 2}O{sub 7}, 865 K for La{sub 2/3}TiO{sub 3}, and 1027 K for La{sub 2}TiO{sub 5}. The T{sub c} values observed in this study, together with previous data for Al{sub 2}O{sub 3} and TiO{sub 2}, are discussed with reference to the melting points for the La{sub 2}O{sub 3}-Al{sub 2}O{sub 3} and La{sub 2}O{sub 3}-TiO{sub 2} systems and the different local environments within the four crystal structures. Results suggest that there is an observable inverse correlation between T{sub c} and melting temperature (T{sub m}) in the two systems. More complex relationships exist between T{sub c} and crystal structure, with the stoichiometric perovskite LaAlO{sub 3} being the most resistant to amorphisation. - Graphical abstract: La{sub 2}TiO{sub 5} with atypical co-ordination for Ti, TiO{sub 5} is found to be different in radiation resistance to La{sub 2}Ti{sub 2}O{sub 7} and La{sub 2/3}TiO{sub 3}. Irradiation of La-Ti-O, and La-Al-O based systems has found that radiation damage resistance is related to the ability of the system to disorder.« less

Synthesis of monodisperse spherical nanometer ZrO{sub 2} (Y{sub 2}O{sub 3}) powders via the coupling route of w/o emulsion with urea homogenous precipitation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, Ying; Dong, Shijie, E-mail: dongsjsj@163.com; Wang, Huihu

2012-03-15

Graphical abstract: In this paper, the weight loss and reaction evolution of ZrO{sub 2} precursor powders are determined by TG-DTA, and 600 Degree-Sign C is the most reasonable calcination temperature of precursor according to the TG-DTA. At the same time, we study the effect of reaction conditions upon the particle sizes, such as concentration of zirconium nitrate solution, reaction temperature and urea content. TEM micrographs of zirconia powders indicated that ZrO{sub 2} nano-powders prepared via the coupling route of w/o emulsion with homogenous precipitation possess spherical shape and excellent dispersing. Highlights: Black-Right-Pointing-Pointer The monodisperse spherical nanometer ZrO{sub 2} (Y{sub 2}O{submore » 3}) powders have been prepared via the coupling route of w/o emulsion with urea homogenous precipitation. Black-Right-Pointing-Pointer The principle of the coupling route of emulsion with homogenous precipitation has been studied. Black-Right-Pointing-Pointer The concentration of zirconium nitrate, reaction temperature of water bath and the quantity of urea effect regularly on the average particle size of products. -- Abstract: Using xylol as the oil phase, span-80 as the surfactant, and an aqueous solution containing zirconium (3 mol% Y{sub 2}O{sub 3}) and urea as the water phase, tetragonal phase ZrO{sub 2} nano-powders have been prepared via the coupling route of w/o emulsion with urea homogenous precipitation. The effects of the zirconium concentration, the reaction temperature and the urea content on the average size of the products have been examined. The as-prepared ZrO{sub 2} powders and the precursor powders were characterized by TGA-DTA, XRD, TEM and BET. Experimental results indicate that ZrO{sub 2} powders prepared via the coupling route of w/o emulsion with urea homogenous precipitation possess some excellent characteristics, such as well-rounded spherical shape and excellent dispersing.« less

Photoluminescence and thermal stability of yellow-emitting Na{sub 2}Ba{sub 2}Si{sub 2}O{sub 7}:Sm{sup 3+} phosphor for light-emitting diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Jiayue, E-mail: jiayue_sun@126.com; Di, Qiumei; Cui, Dianpeng

2014-12-15

Highlights: • Na{sub 2}Ba{sub 2}Si{sub 2}O{sub 7}:Sm{sup 3+} phosphors are obtained via a solid-state reaction method. • Excitation at 402 nm, the yellow color purity is close to 100%. • The mechanism of concentration quenching is dipole–dipole interaction. • The temperature-dependent luminescence property exceed that of YAG:Ce{sup 3+}. - Abstract: A series of yellow-emitting Na{sub 2}(Ba{sub 2−x}Sm{sub x})Si{sub 2}O{sub 7} phosphors have been prepared via solid-state reaction technique. X-ray diffraction (XRD), photoluminescence (PL) spectra, temperature-dependent luminescence property, concentration quenching mechanism and luminescence lifetime are applied to characterize the obtained samples. Under 402 nm near ultraviolent excitation, the samples emit yellowmore » light and the color purity is close to 100%. The critical quenching concentration of Sm{sup 3+} in the Na{sub 2}Ba{sub 2}Si{sub 2}O{sub 7} host is about 3.6 mol% and corresponding quenching behavior is ascribed to be electric dipole–dipole interaction. Furthermore, the phosphor has good thermal stability property, superior to the commercial yellow Y{sub 3}Al{sub 5}O{sub 12}:Ce{sup 3+} phosphor and the activation energy for thermal quenching is calculated as 0.18 eV.« less

Pulsed Laser Deposition of BaCe(sub 0.85)Y(sub 0.15)0(sub 3) FILMS

NASA Technical Reports Server (NTRS)

Dynys, F. W.; Sayir, A.

2006-01-01

Pulsed laser deposition has been used to grow nanostructured BaCe(sub 0.85)Y(sub 0.15)0(sub 3) films. The objective is to enhance protonic conduction by reduction of membrane thickness. Sintered samples and laser targets were prepared by sintering BaCe(sub 0.85)Y(sub 0.15)O(sub 3) powders derived by solid state synthesis. Films 2 to 6 m thick were deposited by KrF excimer laser on Si and porous Al2O3 substrates. Nanocrystalline films were fabricated at deposition temperatures of 600-800 C deg at O2 pressure of 30 mTorr and laser fluence of 1.2 J/cm square. Films were characterized by x-ray diffraction, scanning electron microscopy and electrical impedance spectroscopy. Dense single phase BaCe(sub 0.85)Y((sub 0.15) 0(sub 3) films with a columnar growth morphology is observed, preferred crystal growth was found to be dependent upon deposition temperature and substrate type. Electrical conductivity of bulk samples produced by solid state sintering and thin film samples were measured over a temperature range of 100 C deg to 900 C deg in moist argon. Electrical conduction of the fabricated films was 1 to 4 orders of magnitude lower than the sintered bulk samples. With respect to the film growth direction, activation energy for electrical conduction is 3 times higher in the perpendicular direction than the parallel direction.

β-(Al{sub x}Ga{sub 1−x}){sub 2}O{sub 3}/Ga{sub 2}O{sub 3} (010) heterostructures grown on β-Ga{sub 2}O{sub 3} (010) substrates by plasma-assisted molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaun, Stephen W., E-mail: skaun@umail.ucsb.edu; Wu, Feng; Speck, James S.

2015-07-15

By systematically changing growth parameters, the growth of β-(Al{sub x}Ga{sub 1−x}){sub 2}O{sub 3}/Ga{sub 2}O{sub 3} (010) heterostructures by plasma-assisted molecular beam epitaxy was optimized. Through variation of the Al flux under O-rich conditions at 600 °C, β-(Al{sub x}Ga{sub 1−x}){sub 2}O{sub 3} (010) layers spanning ∼10% to ∼18% Al{sub 2}O{sub 3} were grown directly on β-Ga{sub 2}O{sub 3} (010) substrates. Nominal β-(Al{sub x}Ga{sub 1−x}){sub 2}O{sub 3} (010) compositions were determined through Al:Ga flux ratios. With x = ∼0.18, the β-(Al{sub x}Ga{sub 1−x}){sub 2}O{sub 3} (020) layer peak in a high-resolution x-ray diffraction (HRXRD) ω-2θ scan was barely discernible, and Pendellösung fringes were not visible.more » This indicated that the phase stability limit of Al{sub 2}O{sub 3} in β-Ga{sub 2}O{sub 3} (010) at 600 °C was less than ∼18%. The substrate temperature was then varied for a series of β-(Al{sub ∼0.15}Ga{sub ∼0.85}){sub 2}O{sub 3} (010) layers, and the smoothest layer was grown at 650 °C. The phase stability limit of Al{sub 2}O{sub 3} in β-Ga{sub 2}O{sub 3} (010) appeared to increase with growth temperature, as the β-(Al{sub x}Ga{sub 1−x}){sub 2}O{sub 3} (020) layer peak with x = ∼0.18 was easily distinguishable by HRXRD in a sample grown at 650 °C. Cross-sectional transmission electron microscopy (TEM) indicated that β-(Al{sub ∼0.15}Ga{sub ∼0.85}){sub 2}O{sub 3} (010) layers (14.4% Al{sub 2}O{sub 3} by energy dispersive x-ray spectroscopy) grown at 650 °C were homogeneous. β-(Al{sub ∼0.20}Ga{sub ∼0.80}){sub 2}O{sub 3} (010) layers, however, displayed a phase transition. TEM images of a β-(Al{sub ∼0.15}Ga{sub ∼0.85}){sub 2}O{sub 3}/Ga{sub 2}O{sub 3} (010) superlattice grown at 650 °C showed abrupt layer interfaces and high alloy homogeneity.« less

Infrared and TPD studies of nitrates adsorbed on Tb{sub 4}O{sub 7}, La{sub 2}O{sub 3}, BaO, and MgO/{gamma}-Al{sub 2}O{sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chi, Y.; Chuang, S.S.C.

2000-05-18

NO and O{sub 2} coadsorption on {gamma}-Al{sub 2}O{sub 3}-supported Tb{sub 4}O{sub 7}, La{sub 2}O{sub 3}, BaO, and MgO has been investigated by in situ infrared spectroscopy coupled with temperature-programmed decomposition and desorption. BaO/{gamma}-Al{sub 2}O{sub 3} and MgO/{gamma}-Al{sub 2}O{sub 3} possess a higher NO{sub x} storage capability than Tb{sub 4}O{sub 7}/{gamma}-Al{sub 2}O{sub 3} and La{sub 2}O{sub 3}/{gamma}-Al{sub 2}O{sub 3}. NO/O{sub 2} coadsorbed on Tb{sub 4}O{sub 7}, La{sub 2}O{sub 3}, and BaO in the form of bridging bidentate, chelating bidentate, and monodentate nitrates, and on MgO in the form of bridging bidentate and monodentate nitrates via the reaction of adsorbed NO withmore » adsorbed oxygen at 298 K. NO/O{sub 2} coadsorbed as a chelating bidentate nitrate on Tb{sub 4}O{sub 7} and La{sub 2}O{sub 3}, and as a distinctive bridging bidentate nitrate on BaO and MgO via the reaction of adsorbed NO with surface lattice oxygen at 523 K. These various forms of adsorbed nitrate differ in structure and reactivity from Tb(NO{sub 3}){sub 3}, La(NO{sub 3}){sub 3}, Ba(NO{sub 3}){sub 2}, and Mg(NO{sub 3}){sub 2}, the precursor used to prepare metal oxides for NO/O{sub 2} coadsorption. Temperature-programmed desorption (TPD) of chelating bidentate nitrate on Tb{sub 4}O{sub 7}, La{sub 2}O{sub 3}, and BaO produced primarily NO and O{sub 2}, with maxima at 640 and 670 K, respectively. TPD of bridging bidentate nitrate and monodentate nitrate on Tb{sub 4}O{sub 7}, La{sub 2}O{sub 3}, and BaO produced NO and O{sub 2} as major products and N{sub 2} and N{sub 2}O as minor products, at 320--500 K. Decomposition of bridging bidentate on MgO produced NO as a major product and N{sub 2}O as a minor product at a peak temperature of 690 K. Peak temperatures for Tb(NO{sub 3}){sub 3}, La(NO{sub 3}){sub 3}, Ba(NO{sub 3}){sub 2}, and Mg(NO{sub 3}){sub 2} decomposition occurred between those for bridging and chelating nitrates. The difference in stability between

Synthesis and morphology of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals with tungsten bronze structure in RE{sub 2}O{sub 3}-BaO-Nb{sub 2}O{sub 5}-B{sub 2}O{sub 3} glasses (RE: Sm, Eu, Gd, Dy, Er)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ida, H.; Shinozaki, K.; Honma, T.

2012-12-15

Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals with a tetragonal tungsten bronze (TTB) structure are synthesized using a conventional glass crystallization technique in 2.3RE{sub 2}O{sub 3}-27.4BaO-34.3Nb{sub 2}O{sub 5}-36B{sub 2}O{sub 3} (mol%) (RE=Sm, Eu, Gd, Dy, and Er) glasses. One sharp crystallization peak is observed at {approx}670 Degree-Sign C in both powdered and bulk glasses, and the formation of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals with unit cell parameters of a{approx}1.24 nm and c{approx}0.39 nm was confirmed. It is found from high resolution transmission electron microscope observations that the morphology of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals is ellipsoidal. Their average particlemore » size is in the range of 15-60 nm and decreases with decreasing ionic radius of RE{sup 3+} being present in the precursor glasses. The optical transparent crystallized glass (bulk) shows the total photoluminescence (PL) quantum yield of 53% in the visible region of Eu{sup 3+} ions, suggesting a high potential of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals as PL materials. - Graphical abstract: This figure shows a TEM photograph for the heat-treated (667 Degree-Sign C, 3 h) sample of 2.3Dy{sub 2}O{sub 3}-27.4BaO-34.3Nb{sub 2}O{sub 5}-36B{sub 2}O{sub 3}. An ellipsoidal-shaped Ba{sub 1-x}Dy{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystal with diameters of 17 and 28 nm is observed. The ellipsoidal morphology is a common feature in Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals synthesized by the crystallization of 2.3RE{sub 2}O{sub 3}-27.4BaO-34.3Nb{sub 2}O{sub 5}-36B{sub 2}O{sub 3} glasses. Highlights: Black-Right-Pointing-Pointer Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals with a tetragonal tungsten bronze structure are synthesized. Black-Right-Pointing-Pointer A glass crystallization technique was applied. Black-Right-Pointing-Pointer The morphology of Ba{sub 1-x}RE{sub 2x/3}Nb{sub 2}O{sub 6} nanocrystals

Kinetics of O{sub 2}({sup 1{Sigma}}) formation in the reaction O{sub 2}({sup 1{Delta}}) + O{sub 2}({sup 1{Delta}}) {yields} O{sub 2}({sup 1{Sigma}}) + O{sub 2}({sup 3{Sigma}})

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zagidullin, M V; Khvatov, N A; Nyagashkin, A Yu

2011-02-28

The dependence of the ratio of specific powers of dimole radiation of singlet oxygen in the 634 nm band and in the b - X band of the O{sub 2}({sup 1{Sigma}}) molecule in the O{sub 2}(X) - O{sub 2}({sup 1{Delta}}) - O{sub 2}({sup 1{Sigma}}) - H{sub 2}O - CO{sub 2} mixture on the CO{sub 2} concentration is measured. As a result, the rate constant of the reaction O{sub 2}({sup 1{Delta}}) + O{sub 2}({sup 1{Delta}}) {yields} O{sub 2}({sup 1{Sigma}}) + O{sub 2}({sup 3{Sigma}}) at the temperature {approx}330 K is found to equal (4.5 {+-} 1.1) 10{sup -17} cm{sup 3} s{sup -1}.more » (active media)« less

Fe{sub 2}O{sub 3}-Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} glasses as lithium-free nonsilicate pH responsive glasses – Compatibility between pH responsivity and hydrophobicity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hashimoto, Tadanori, E-mail: hasimoto@chem.mie-u.ac.jp; Hamajima, Mitsuaki; Ohta, Honami

Highlights: • Fe{sub 2}O{sub 3}-rich FeBiB glasses show high pH sensitivity and short pH response time. • Bi{sub 2}O{sub 3}-rich FeBiB glasses show relatively high contact angle for water. • FeBiB glasses are lithium-free nonsilicate pH responsive ones. • pH responsivity and hydrophobicity are obtained for optimum glass compositions. - Abstract: Lithium silicate-based glasses have widely been used as commercially available pH glass electrodes. It was revealed that Ti{sup 3+}-containing titanophosphate (TiO{sub 2}-P{sub 2}O{sub 5}, TP) glasses are pH responsive as lithium-free nonsilicate glasses for the first time. TP glasses with the compatibility between pH responsivity and self-cleaning property weremore » obtained by the sequential post-annealing (oxidation and reduction) of as-prepared glasses. Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} (BiB) glasses are relatively hydrophobic and are expected to show anti-fouling effect. They are unsuitable for pH responsive glasses, because they have high electrical resistivity. In the present study, xFe{sub 2}O{sub 3}·yBi{sub 2}O{sub 3}·(100 − x − y)B{sub 2}O{sub 3} glasses (xFeyBiB, x = 0–20 mol%, y = 20–80 mol%) glasses were selected as new pH responsive glasses with hydrophobicity, because Fe{sub 2}O{sub 3} is a representative component for causing hopping conduction to the glasses. BiB glass did not show pH responsivity, whereas xFeyBiB glasses showed good pH responsivity. xFeyBiB glasses are lithium-free nonsilicate pH responsive ones as well as TP glasses. The electrical resistivity and pH response time decreased with increasing Fe{sub 2}O{sub 3} content. The pH repeatability for standard solutions increased with increasing Bi{sub 2}O{sub 3} content. Silicate glass (20Fe70BiSi) showed better pH responsivity but lower contact angle than those of borate glass (20Fe70BiB). pH sensitivity increased in order of TP glasses (about 80%), xFeyBiB glasses (about 90%) and commercial pH responsive glass (about 100

Strain dynamics during La{sub 2}O{sub 3}/Lu{sub 2}O{sub 3} superlattice and alloy formation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Proessdorf, André; Niehle, Michael; Grosse, Frank

The dynamics of strain relaxation and intermixing during molecular beam epitaxy of La{sub 2}O{sub 3} and Lu{sub 2}O{sub 3} superlattices and alloys consisting of both binaries on Si(111) have been studied by real-time in situ grazing incidence x-ray diffraction and high resolution transmission electron microscopy. The presence of both hexagonal and cubic polymorphs of La{sub 2}O{sub 3} influences the epitaxial formation within the superlattice. The process of strain relaxation is closely related to the presence of a (La,Lu){sub 2}O{sub 3} alloy adopting a cubic symmetry. It is formed by interdiffusion of La and Lu atoms reducing internal lattice mismatch withinmore » the superlattice. An interface thickness dominated by interdiffusion regions of about 3 monolayers is determined by high-angle annular dark field scanning transmission electron microscopy.« less

Impact of La{sub 2}O{sub 3} interfacial layers on InGaAs metal-oxide-semiconductor interface properties in Al{sub 2}O{sub 3}/La{sub 2}O{sub 3}/InGaAs gate stacks deposited by atomic-layer-deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, C.-Y., E-mail: cychang@mosfet.t.u-tokyo.ac.jp; Takenaka, M.; Takagi, S.

We examine the electrical properties of atomic layer deposition (ALD) La{sub 2}O{sub 3}/InGaAs and Al{sub 2}O{sub 3}/La{sub 2}O{sub 3}/InGaAs metal-oxide-semiconductor (MOS) capacitors. It is found that the thick ALD La{sub 2}O{sub 3}/InGaAs interface provides low interface state density (D{sub it}) with the minimum value of ∼3 × 10{sup 11} cm{sup −2} eV{sup −1}, which is attributable to the excellent La{sub 2}O{sub 3} passivation effect for InGaAs surfaces. It is observed, on the other hand, that there are a large amount of slow traps and border traps in La{sub 2}O{sub 3}. In order to simultaneously satisfy low D{sub it} and small hysteresis, the effectivenessmore » of Al{sub 2}O{sub 3}/La{sub 2}O{sub 3}/InGaAs gate stacks with ultrathin La{sub 2}O{sub 3} interfacial layers is in addition evaluated. The reduction of the La{sub 2}O{sub 3} thickness to 0.4 nm in Al{sub 2}O{sub 3}/La{sub 2}O{sub 3}/InGaAs gate stacks leads to the decrease in hysteresis. On the other hand, D{sub it} of the Al{sub 2}O{sub 3}/La{sub 2}O{sub 3}/InGaAs interfaces becomes higher than that of the La{sub 2}O{sub 3}/InGaAs ones, attributable to the diffusion of Al{sub 2}O{sub 3} through La{sub 2}O{sub 3} into InGaAs and resulting modification of the La{sub 2}O{sub 3}/InGaAs interface structure. As a result of the effective passivation effect of La{sub 2}O{sub 3} on InGaAs, however, the Al{sub 2}O{sub 3}/10 cycle (0.4 nm) La{sub 2}O{sub 3}/InGaAs gate stacks can realize still lower D{sub it} with maintaining small hysteresis and low leakage current than the conventional Al{sub 2}O{sub 3}/InGaAs MOS interfaces.« less

Fabrication and characterization of millimeter-scale translucent La{sub 2}O{sub 3}-doped Al{sub 2}O{sub 3} ceramic hollow spheres

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Haoting; Liao, Qilong, E-mail: liaoqilong@swust.edu.cn; Dai, Yunya

2016-04-15

Highlights: • Millimeter-scale translucent La{sub 2}O{sub 3}-doped Al{sub 2}O{sub 3} hollow spheres have been prepared. • The diameters of the prepared hollow spheres are 500–1300μm. • The degree of sphericity for the prepared hollow spheres is above 98%. • The mechanisms of transparency are discussed. - Abstract: Millimeter-scale translucent La{sub 2}O{sub 3}-doped Al{sub 2}O{sub 3} ceramic hollow spheres have been successfully prepared using the oil-in-water (paraffin-in-alumina sol) droplets as precursors made by self-made T-shape micro-emulsion device. The main crystalline phase of the obtained hollow sphere is alpha alumina. The prepared translucent La{sub 2}O{sub 3}-containing Al{sub 2}O{sub 3} ceramic hollow spheresmore » have diameters of 500–1300 μm, wall thickness of about 23 μm and the degree of sphericity of above 98%. With the increase of the La{sub 2}O{sub 3} content, grains and grain-boundaries of the alumina spherical shell for the prepared millimeter-scale hollow spheres become regular and clear gradually. When the La{sub 2}O{sub 3} content is 0.1 wt.%, the crystal surface of the obtained Al{sub 2}O{sub 3} spherical shell shows optimal grains and few pores, and its transmittance reaches 42% at 532 nm laser light. This method provides a promising technique of preparing millimeter-scale translucent ceramic hollow spheres for laser inertial confined fusion.« less

Photolysis of pure solid O{sub 3} and O{sub 2} films at 193 nm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Raut, U.; Loeffler, M. J.; Fama, M.

2011-05-21

We studied quantitatively the photochemistry of solid O{sub 3} and O{sub 2} films at 193 nm and 22 K with infrared spectroscopy and microgravimetry. Photolysis of pure ozone destroyed O{sub 3}, but a small amount of ozone remained in the film at high fluence. Photolysis of pure O{sub 2} produced O{sub 3} in an amount that increased with photon fluence to a stationary level. For both O{sub 2} and O{sub 3} films, the O{sub 3}:O{sub 2} ratio at large fluences is {approx}0.07, about two orders of magnitude larger than those obtained in gas phase photolysis. This enhancement is attributed tomore » the increased photodissociation of O{sub 2} due to photoabsorption by O{sub 2} dimers, a process significant at solid-state densities. We obtain initial quantum yield for ozone synthesis from solid oxygen, {Phi}(O{sub 3}) = 0.24 {+-} 0.06, and quantum yields for destruction of O{sub 3} and O{sub 2} in their parent solids, {Phi}(-O{sub 3}) = 1.0 {+-} 0.2 and {Phi}(-O{sub 2}) = 0.36 {+-} 0.1. Combined with known photoabsorption cross sections, we estimate probabilities for geminate recombination of 0.5 {+-} 0.1 for O{sub 3} fragments and 0.88 {+-} 0.03 for oxygen atoms from O{sub 2} dissociation. Using a single parameter kinetic model, we deduce the ratio of reaction cross sections for an O atom with O{sub 2} vs. O{sub 3} to be 0.1-0.2. The general good agreement of the model with the data suggests the validity of the central assumption of efficient energy and spin relaxation of photofragments in the solid prior to their reactions with other species.« less

Effects of grain size and humidity on fretting wear in fine-grained alumina, Al{sub 2}O{sub 3}/TiC, and zirconia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krell, A.; Klaffke, D.

Friction and wear of sintered alumina with grain sizes between 0.4 and 3 {micro}m were measured in comparison with Al{sub 2}O{sub 3}/TiC composites and with tetragonal ZrO{sub 2} (3 mol% Y{sub 2}O{sub 3}). The dependence on the grain boundary toughness and residual microstresses is investigated, and a hierarchical order of influencing parameters is observed. In air, reduced alumina grain sizes improve the micromechanical stability of the grain boundaries and the hardness, and reduced wear is governed by microplastic deformation, with few pullout events. Humidity and water slightly reduce the friction of all of the investigated ceramics. In water, this effectmore » reduces the wear of coarser alumina microstructures. The wear of aluminas and of the Al{sub 2}O{sub 3}/TiC composite is similar; it is lower than observed in zirconia, where extended surface cracking occurs at grain sizes as small as 0.3 {micro}m.« less

Strong electroluminescence from SiO{sub 2}-Tb{sub 2}O{sub 3}-Al{sub 2}O{sub 3} mixed layers fabricated by atomic layer deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rebohle, L., E-mail: l.rebohle@hzdr.de; Braun, M.; Wutzler, R.

2014-06-23

We report on the bright green electroluminescence (EL) with power efficiencies up to 0.15% of SiO{sub 2}-Tb{sub 2}O{sub 3}-mixed layers fabricated by atomic layer deposition and partly co-doped with Al{sub 2}O{sub 3}. The electrical, EL, and breakdown behavior is investigated as a function of the Tb and the Al concentration. Special attention has been paid to the beneficial role of Al{sub 2}O{sub 3} co-doping which improves important device parameters. In detail, it increases the maximum EL power efficiency and EL decay time, it nearly doubles the fraction of excitable Tb{sup 3+} ions, it shifts the region of high EL powermore » efficiencies to higher injection currents, and it reduces the EL quenching over the device lifetime by an approximate factor of two. It is assumed that the presence of Al{sub 2}O{sub 3} interferes the formation of Tb clusters and related defects. Therefore, the system SiO{sub 2}-Tb{sub 2}O{sub 3}-Al{sub 2}O{sub 3} represents a promising alternative for integrated, Si-based light emitters.« less

Kinetic control in the synthesis of metastable polymorphs: Bixbyite-to-Rh{sub 2}O{sub 3}(II)-to-corundum transition in In{sub 2}O{sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bekheet, Maged F., E-mail: maged.bekheet@ceramics.tu-berlin.de; Fachgebiet Keramische Werkstoffe, Institut für Werkstoffwissenschaften und -technologien, Technische Universität Berlin, Hardenbergstraße 40, 10623 Berlin; Schwarz, Marcus R.

2015-09-15

An example for kinetic control of a solid-state phase transformation, in which the system evolves via the path with the lowest activation barrier rather than ending in the thermodynamically most favorable state, has been demonstrated. As a case study, the phase transitions of indium sesquioxide (In{sub 2}O{sub 3}) have been guided by theoretical calculations and followed in situ under high-pressure high-temperature conditions in multi-anvil assemblies. The corundum-type rh-In{sub 2}O{sub 3} has been synthesized from stable bixbyite-type c-In{sub 2}O{sub 3} in two steps: first generating orthorhombic Rh{sub 2}O{sub 3}-II-type o′-In{sub 2}O{sub 3} which is thermodynamically stable at 8.5 GPa/850 °C and,more » thereafter, exploiting the preferred kinetics in the subsequent transformation to the rh-In{sub 2}O{sub 3} during decompression. This synthesis strategy of rh-In{sub 2}O{sub 3} was confirmed ex situ in a toroid-type high-pressure apparatus at 8 GPa and 1100 °C. The pressure–temperature phase diagrams have been constructed and the stability fields of In{sub 2}O{sub 3} polymorphs and the crystallographic relationship between them have been discussed. - Graphical abstract: In situ energy-dispersive XRD patterns in multi-anvil assemblies show the sequence of phase transition c-In{sub 2}O{sub 3}→o′-In{sub 2}O{sub 3}→rh-In{sub 2}O{sub 3} under particular pressure and temperature conditions. The tick marks refer to the calculated Bragg positions of bixbyite-type (c-In{sub 2}O{sub 3}), Rh{sub 2}O{sub 3}-II-type (o–-In2O{sub 3}) and corundum-type (rh-In{sub 2}O{sub 3}). - Highlights: • The solid-state synthesis methods can be employed for obtaining metastable phases. • The phase transition of In{sub 2}O{sub 3} was guided by DFT calculations. • The phase transition of In{sub 2}O{sub 3} was followed in situ under HP–HT conditions. • Orthorhombic o′-In{sub 2}O{sub 3} polymorph was synthesized from c-In{sub 2}O{sub 3} at 8.5 GPa/850 °C. �

Dependence of catalytic properties of Al/Fe{sub 2}O{sub 3} thermites on morphology of Fe{sub 2}O{sub 3} particles in combustion reactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Ningning; He, Cuicui; Liu, Jianbing

2014-11-15

Three Fe{sub 2}O{sub 3} particle samples with the same crystal structure but different morphologies were prepared by the hydrothermal method and then combined with Al nanoparticles to produce Al/Fe{sub 2}O{sub 3} thermites using ultrasonic mixing. The properties of Fe{sub 2}O{sub 3} and Al/Fe{sub 2}O{sub 3} were studied using a combination of experimental techniques including scanning electron microscopy (SEM), energy dispersive spectrometer (EDS), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and differential scanning calorimetry (DSC). The influences of the three Al/Fe{sub 2}O{sub 3} thermites on the combustion properties of the AP/HTPB (ammonium perchlorate/hydroxyl-terminated polybutadiene) composite propellant were investigated in comparisonmore » to those of Fe{sub 2}O{sub 3}. The results show that the Al/Fe{sub 2}O{sub 3} thermites are better than Fe{sub 2}O{sub 3} in enhancing the combustion performance of AP/HTPB. Furthermore, the surface area, which depends on size and mophology, of Fe{sub 2}O{sub 3} particles was found to play a vital role in improving the burning rate of the thermites-containing propellant formulation, with the smallest particles with the largest surface-to-volume (S/V) ratio performing the best. The enhanced catalytic property of the granular-shape Fe{sub 2}O{sub 3} and the corresponding thermite is attributed to the large specific surface area of Fe{sub 2}O{sub 3}. The different thermal behaviors of these three superthemites were supposed to be attributed to the surface site of Fe{sub 2}O{sub 3} particles. This work provides a better understanding on the catalytic properties of thermites that are important for combustion applications. - Graphical abstract: Effects of Fe{sub 2}O{sub 3} and Al/Fe{sub 2}O{sub 3} have been compared for the first time by analyzing combustion properties of formulations containing them, suggesting their potential application in AP/HTPB composite propellant systems. - Highlights

Microwave dielectric properties of CaCu{sub 3}Ti{sub 4}O{sub 12}-Al{sub 2}O{sub 3} composite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rahman, Mohd Fariz Ab; Abu, Mohamad Johari; Zaman, Rosyaini Afindi

2016-07-19

(1-x)CaCu{sub 3}Ti{sub 4}O{sub 12} + (x)Al{sub 2}O{sub 3} composite (0 ≤ x ≤0.25) was prepared via conventional solid-state reaction method. The fabrication of sample was started with synthesizing stoichiometric CCTO from CaCO{sub 3}, CuO and TiO{sub 2} powders, then wet-mixed in deionized water for 24 h. The process was continued with calcined CCTO powder at 900 °C for 12 h before sintered at 1040 °C for 10 h. Next, the calcined CCTO powder with different amount of Al{sub 2}O{sub 3} were mixed for 24 h, then palletized and sintered at 1040 °C for 10. X-ray diffraction analysis on the sinteredmore » samples showed that CCTO powder was in a single phase, meanwhile the trace of secondary peaks which belong to CaAl{sub 2}O{sub 4} and Corundum (Al{sub 2}O{sub 3}) could be observed in the other samples Scanning electron microscopy analysis showed that the grain size of the sample is firstly increased with addition of Al{sub 2}O{sub 3} (x = 0.01), then become smaller with the x > 0.01. Microwave dielectric properties showed that the addition of Al{sub 2}O{sub 3} (x = 0.01) was remarkably reduced the dielectric loss while slightly increased the dielectric permittivity. However, further addition of Al{sub 2}O{sub 3} was reduced both dielectric loss and permittivity at least for an order of magnitude.« less

Macroscopic shape change of melt-processed YBa{sub 2}Cu{sub 3}O{sub x-}Y{sub 2}BaCuO{sub 5} bulk superconductors.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Diko, P.; Goretta, K. C.; Energy Technology

A macroscopic change in the shape of five-domain melt-processed YBa{sub 2}Cu{sub 3}O{sub x}/Y{sub 2}BaCuO{sub 5} bulk superconductors is reported and explained. The change, a distortion from circular cross-section, is attributed to liquid transport from a slower growth front in an a-axis direction to a faster growth front in a c-axis direction at the edge between the a- and c-growth fronts, a phenomenon that we call the edge melt distribution (EMD) effect. Formation of bands of higher Y{sub 2}BaCuO{sub 5} particle density along the a/c growth boundaries, which nearly coincide with {l_brace}110{r_brace}-type planes, is explained by the EMD effect.

Stabilization of the high coercivity {epsilon}-Fe{sub 2}O{sub 3} phase in the CeO{sub 2}-Fe{sub 2}O{sub 3}/SiO{sub 2} nanocomposites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mantlikova, A., E-mail: mantlikova@fzu.cz; Poltierova Vejpravova, J.; Bittova, B.

2012-07-15

We have investigated the processes leading to the formation of the Fe{sub 2}O{sub 3} and CeO{sub 2} nanoparticles in the SiO{sub 2} matrix in order to stabilize the {epsilon}-Fe{sub 2}O{sub 3} as the major phase. The samples with two different concentrations of the Fe were prepared by sol-gel method, subsequently annealed at different temperatures up to 1100 Degree-Sign C, and characterized by the Moessbauer spectroscopy, Transmission Electron Microscopy (TEM), Powder X-ray Diffraction (PXRD), Energy Dispersive X-ray analysis (EDX) and magnetic measurements. The evolution of the different Fe{sub 2}O{sub 3} phases under various conditions of preparation was investigated, starting with themore » preferential appearance of the {gamma}-Fe{sub 2}O{sub 3} phase for the sample with low Fe concentration and low annealing temperature and stabilization of the major {epsilon}-Fe{sub 2}O{sub 3} phase for high Fe concentration and high annealing temperature, coexisting with the most stable {alpha}-Fe{sub 2}O{sub 3} phase. A continuous increase of the particle size of the CeO{sub 2} nanocrystals with increasing annealing temperature was also observed. - Graphical abstract: The graphical abstract displays the most important results of our work. The significant change of the phase composition due to the variation of preparation conditions is demonstrated. As a result, significant change of the magnetic properties from superparamagnetic {gamma}-Fe{sub 2}O{sub 3} phase with negligible coercivity to the high coercivity {epsilon}-Fe{sub 2}O{sub 3} phase has been observed. Highlights: Black-Right-Pointing-Pointer Research of the stabilization of the high coercivity {epsilon}-Fe{sub 2}O{sub 3} in CeO{sub 2}-Fe{sub 2}O{sub 3}/SiO{sub 2}. Black-Right-Pointing-Pointer Samples with two different concentrations of Fe and three annealing temperatures. Black-Right-Pointing-Pointer Phase transition {gamma}{yields}{epsilon}{yields}({beta}){yields}{alpha} with increasing annealing temperature

Phase relations in the system In{sub 2}O{sub 3}-TiO{sub 2}-Fe{sub 2}O{sub 3} at 1100 C in air

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, F.; Flores, M.J.R.; Kimizuka, N.

1999-04-01

Phase relations in the system In{sub 2}O{sub 3}-TiO{sub 2}-Fe{sub 2}O{sub 3} at 1100 C in air are determined by means of a classic quenching method. There exist In{sub 2}TiO{sub 5}, Fe{sub 2}TiO{sub 5} having a pseudo-Brookite-type phase and a new phase, In{sub 3}Ti{sub 2}FeO{sub 10} having a solid solution range from In{sub 2}O{sub 3}:TiO{sub 2}:Fe{sub 2}O{sub 3} = 4:6:1 to In{sub 2}O{sub 3}:TiO{sub 2}:Fe{sub 2}O{sub 3} = 0.384:0.464:0.152 (mole ratio) on the line InFeO{sub 3}-In{sub 2}Ti{sub 2}O{sub 7}. The crystal structures of In{sub 3}Ti{sub 2}FeO{sub 10} are pyrochlore related with a{sub m} = 5.9171 (5) {angstrom}, b{sub m} = 3.3696more » (3) {angstrom}, c{sub m} = 6.3885 (6) {angstrom}, and {beta} = 108.02 (1){degree} in a monoclinic crystal system at 1100 C, and a{sub 0} = 5.9089 (5) {angstrom}, b{sub 0} = 3.3679 (3) {angstrom}, and c{sub 0} = 12.130 (1) {angstrom} in an orthorhombic system at 1200 C. The relationship between the lattice constants of these phases and those of the cubic pyrochlore type are approximately as follows: a{sub m} = {minus}{1/4}a{sub p} + ({minus}{1/2})b{sub p} + ({minus}{1/4})c{sub p}, b{sub m} = {minus}{1/4}a{sub p} + (0)b{sub p} + ({1/4})c{sub p}, c{sub m} = {1/4}a{sub p} + ({minus}{1/2})b{sub p} + ({1/4})c{sub p} and {beta} = 109.47{degree} in the monoclinic system, and a{sub 0} = {minus}{1/4}a{sub p} + ({minus}{1/2})b{sub p} + ({minus}{1/4})c{sub p}, b{sub 0} = {minus}{1/4}a{sub p} + (0)b{sub p} + ({1/4})c{sub p}, and c{sub 0} = 2/3a{sub p} + ({minus}2/3)b{sub p} + (2/3)c{sub p} in the orthorhombic system, where a{sub p} = b{sub p} = c{sub p} = 9.90 ({angstrom}) are the lattice constants of In{sub 2}Ti{sub 2}O{sub 7} having the cubic pyrochlore type. All solid solutions of In{sub 3}Ti{sub 2}FeO{sub 10} have incommensurate structures with a periodicity of q {times} b{sup *} (q = 0.281--0.356) along the b{sup *} axis and the stoichiometric phase has q = 1/3. In FeO{sub 3} having a layered structure type is unstable between 750

Syntheses and structural characterization of vanado-tellurites and vanadyl-selenites: SrVTeO{sub 5}(OH), Cd{sub 2}V{sub 2}Te{sub 2}O{sub 11}, Ca{sub 3}VSe{sub 4}O{sub 13}·H{sub 2}O and Ba{sub 2}VSe{sub 3}O{sub 10}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Konatham, Satish; Vidyasagar, Kanamaluru, E-mail: kvsagar@iitm.ac.in

Four new quaternary vanado-tellurites and vanadyl-selenites, namely, SrVTeO{sub 5}(OH)(1), Cd{sub 2}V{sub 2}Te{sub 2}O{sub 11}(2), Ca{sub 3}VSe{sub 4}O{sub 13}·H{sub 2}O(3) and Ba{sub 2}VSe{sub 3}O{sub 10}(4) have been synthesized and structurally characterized by single crystal X-ray diffraction. The oxidation state of vanadium is +5 in tellurites 1 and 2 and +4 in selenites 3 and 4. The structures of SrVTeO{sub 5}(OH)(1) and Cd{sub 2}V{sub 2}Te{sub 2}O{sub 11}(2) compounds consist of (VTeO{sub 5}(OH)){sup 2-} and (V{sub 2}Te{sub 2}O{sub 11}){sup 4-}anionic chains respectively, which are built from tetrahedral VO{sub 4} and disphenoidal TeO{sub 4} moieties. Similarly the structures of Ca{sub 3}VSe{sub 4}O{sub 13}·H{sub 2}O(3)more » and Ba{sub 2}VSe{sub 3}O{sub 10}(4) respectively contain (VSe{sub 2}O{sub 7}){sup 2-} and (VSe{sub 3}O{sub 10}){sup 4-} anionic chains, which are made up of octahedral VO{sub 6} and pyramidal SeO{sub 3} units. Compounds 1 and 3 have been characterized by thermogravimetric and infrared spectroscopic methods. Compounds 1 and 2 are wide band gap semiconductors. - Graphical abstract: Ca{sub 3}VSe{sub 4}O{sub 13}·H{sub 2}O and Ba{sub 2}VSe{sub 3}O{sub 10} compounds contain (VSe{sub 2}O{sub 7}){sup 2-} and (VSe{sub 3}O{sub 10}){sup 4-} chains. - Highlights: • Four new vanado-tellurites and vanadyl-selenites are synthesized. • Their structural features are different. • The vanado-tellurites are wide band gap semiconductors.« less

Synthesis of the new quaternary sulfides K[sub 2]Y[sub 4]Sn[sub 2]S[sub 11] and BaLnAgS[sub 3] (Ln = Er, Y, Gd) and the structures of K[sub 2]Y[sub 4]Sn[sub 2]S[sub 11] and BaErAgS[sub 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Ping; Ibers, J.A.

1994-05-01

Several new quarternary sulfides, K[sub 2]Y[sub 4]Sn[sub 2]S[sub 11] and BaLnAgS[sub 3] (Ln = Er, Y, Gd), have been synthesized by the reaction of the constituent binary chalcogenides and elements at 1000[degrees]C. The crystal structures of K[sub 2]Y[sub 4]Sn[sub 2]S[sub 11] and BaErAgS[sub 3] have been determined by single-crystal X-ray diffraction techniques. Crystal data: K[sub 2]Y[sub 4]Sn[sub 2]S[sub 11]-space group D[sup 8][sub 4h] - P4/ncc, M = 1023.88, Z = 4, a = 8.587(1), c = 27.892(4) [angstrom] (T = 115 K), V = 2056.7(4) [angstrom][sup 3], R[sub W](F[sup 2]) = 0.093 for 1965 observations having F[sup 2][sub 0] >more » 2[sigma](F[sup 2][sub 0]); BaEr AgS[sub 3]-space group C[sup 3][sub 2H] - C2/m, M = 508.65, Z = 4, a = 17.340(4), b = 4.014(1), x = 8.509(2) [angstrom], [beta] = 103.23(3)[degrees], (T = 115 K), V = 576.5(2) [angstrom][sup 3], R[sub W](F[sup 2]) = 0.049 for 1404 observations and 48 variables, R(F) = 0.018 for 1299 observations having F[sup 2][sub 0] > 2[sigma](F[sup 2][sub 0]). In both structures, the rare-earth atoms have octahedral coordination and the octahedra form slabs through edge- and corner-sharing. These slabs are separated by K[sup +] Ba[sup 2+] cations, and are crosslinked into three-dimensional frameworks by Sn[sub 2]S[sub 6] units as edge-sharing SnS[sub 4] tetrahedral pairs in K[sub 2]Y[sub 4]Sn[sub 2]S[sub 11], and by Ag[sub 2]S[sub 9] units as corner-sharing trigonal-bipyramidal AgS[sub 5] pairs in BaEr AgS[sub 3]. From their powder diffraction patterns, BaYAgS[sub 3] and Ba GdAgS[sub 3] appear to be isostructural with BaErAgS[sub 3].« less

Difference in the luminescence properties of orthorhombic and monoclinic forms of Y{sub 2}GeO{sub 5}:Ln (Ln = Tb{sup 3+} and Dy{sup 3+})

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tyagi, Adish; Shah, Alpa; Sudarsan, V., E-mail: vsudar@barc.gov.in

2015-04-15

Highlights: • Improved emission colour purity with orthorhombic form of Y{sub 2}GeO{sub 5}. • Non-stationary quenching exists in orthorhombic and monoclinic forms of Y{sub 2}GeO{sub 5}:Tb. • Ion pair formation and cross relaxation quenching operating for Y{sub 2}GeO{sub 5}:Dy samples. - Abstract: The luminescence properties of Tb{sup 3+} and Dy{sup 3+} doped orthorhombic and monoclinic forms of Y{sub 2}GeO{sub 5} are significantly different. Orthorhombic Y{sub 2}GeO{sub 5} doped with Tb{sup 3+} and Dy{sup 3+} ions gives bright green and blue emission upon UV light excitation with CIE coordinates (0.25, 0.46) and (0.25, 0.24), respectively. The monoclinic Y{sub 2}GeO{sub 5} dopedmore » with these ions exhibits light green and yellowish white emissions, respectively. This has been attributed to the differences in crystallographic environments around Y{sup 3+} ions in orthorhombic and monoclinic forms of Y{sub 2}GeO{sub 5}. Quantum yield of emission for orthorhombic Y{sub 2}GeO{sub 5}:Tb (∼29%) is significantly higher than that of the monoclinic Y{sub 2}GeO{sub 5}:Tb (∼14%). Lifetime values corresponding to {sup 4}F{sub 9/2} level of Dy{sup 3+} ions in both monoclinic and orthorhombic forms of Y{sub 2}GeO{sub 5} follow an opposite trend with respect to {sup 5}D{sub 4} level of Tb{sup 3+} ions. This is attributed to difference in the concentration quenching mechanism operating for Tb{sup 3+} and Dy{sup 3+} ions.« less

Y{sub 3}Fe{sub 5}O{sub 12} spin pumping for quantitative understanding of pure spin transport and spin Hall effect in a broad range of materials (invited)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Du, Chunhui; Wang, Hailong; Hammel, P. Chris

2015-05-07

Using Y{sub 3}Fe{sub 5}O{sub 12} (YIG) thin films grown by our sputtering technique, we study dynamic spin transport in nonmagnetic, ferromagnetic, and antiferromagnetic (AF) materials by ferromagnetic resonance spin pumping. From both inverse spin Hall effect and damping enhancement, we determine the spin mixing conductance and spin Hall angle in many metals. Surprisingly, we observe robust spin conduction in AF insulators excited by an adjacent YIG at resonance. This demonstrates that YIG spin pumping is a powerful and versatile tool for understanding spin Hall physics, spin-orbit coupling, and magnetization dynamics in a broad range of materials.

Gas sensing behaviour of Cr{sub 2}O{sub 3} and W{sup 6+}: Cr{sub 2}O{sub 3} nanoparticles towards acetone

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kohli, Nipin, E-mail: nipinkohli82@yahoo.com; Hastir, Anita; Singh, Ravi Chand

2016-05-23

This paper reports the acetone gas sensing properties of Cr{sub 2}O{sub 3} and 2% W{sup 6+} doped Cr{sub 2}O{sub 3} nanoparticles. The simple cost-effective hydrolysis assisted co-precipitation method was adopted. Synthesized samples were characterized by X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM) techniques. XRD revealed that synthesized nanoparticles have corundum structure. The lattice parameters have been calculated by Rietveld refinement; and strain and crystallite size have been calculated by using the Williamson-Hall plots. For acetone gas sensing properties, the nanoparticles were applied as thick film onto alumina substrate and tested at different operating temperatures. The results showedmore » that the optimum operating temperature of both the gas sensors is 250°C. At optimum operating temperature, the response of Cr{sub 2}O{sub 3} and 2% W{sup 6+} doped Cr{sub 2}O{sub 3} gas sensor towards 100 ppm acetone was found to be 25.5 and 35.6 respectively. The investigations revealed that the addition of W{sup 6+} as a dopant enhanced the sensing response of Cr{sub 2}O{sub 3} nanoparticles appreciably.« less

Broadband sensitized white light emission of g-C{sub 3}N{sub 4}/Y{sub 2}MoO{sub 6}:Eu{sup 3+} composite phosphor under near ultraviolet excitation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, Bing, E-mail: hanbing@zzuli.edu.cn; Xue, Yongfei; Li, Pengju

2015-12-15

The g-C{sub 3}N{sub 4}/Y{sub 2}MoO{sub 6}:Eu{sup 3+} composite phosphors were synthesized and characterized by X-ray diffraction, Fourier transform-infrared spectroscopy, ultraviolet visible diffuse reflection spectra, photoluminescence spectra and luminescence decay curves. Under the excitation of 360 nm near ultraviolet light, these composite phosphors show tunable emission from blue to red region, in which white light emission can be obtained in term of appropriate quality proportion of Y{sub 2}MoO{sub 6}:Eu{sup 3+} relative to g-C{sub 3}N{sub 4}/Y{sub 2}MoO{sub 6}:Eu{sup 3+}. In addition, the emission color can be also dependent on the excitation wavelength in g-C{sub 3}N{sub 4}/Y{sub 2}MoO{sub 6}:Eu{sup 3+} composite phosphor. -more » Graphical abstract: Under the excitation of 360 nm near ultraviolet light, the g-C{sub 3}N{sub 4}/Y{sub 2}MoO{sub 6}:Eu{sup 3+} composite phosphors show tunable emission from blue to red region, in which white light emission can be obtained. - Highlights: • The g-C3N4/Y2MoO6:Eu{sup 3+} composite phosphors were synthesized and characterized. • White light emission was realized in the g-C3N4/Y2MoO6:Eu{sup 3+} composites under UV excitation. • A novel idea to realize the broadband sensitized white light emission in phosphors was provided.« less

Oxygen deficiency induced deterioration in microstructure and magnetic properties at Y{sub 3}Fe{sub 5}O{sub 12}/Pt interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Dongsheng; Zhu, Jing, E-mail: jzhu@mail.tsinghua.edu.cn; Ma, Li

2015-07-27

Transport efficiency of pure spin current across the ferromagnetic films adjacent with a nonmagnetic metal is strongly dependent on the spin mixing conductance, which is very sensitive to atomic-level interface conditions. Here, by the means of advanced electron microscopy techniques, atomic structure, electronic structure, and magnetic properties at Y{sub 3}Fe{sub 5}O{sub 12} (YIG)/Pt interface are detailed characterized to correlate the microstructure and magnetic properties with interfacial transport properties. It is found that the order-disorder structure transformation at the interface is accompanied with oxygen deficiency, thus the reduced iron valence and the break of magnetic atom-O-magnetic atom bridges, which is responsiblemore » for superexchange interaction and magnetic order. It is also found that the magnetic moment of interfacial iron ions is decreased. The disorder interfacial layer with suppressed magnetism finally contributes to the declined spin transport efficiency. Our results provide the knowledge to control and manipulate the interfacial structure and properties in order to obtain higher spin transport efficiency.« less

Structural investigation of MO⋅P{sub 2}O{sub 5}⋅Li{sub 2}O (MO = Fe{sub 2}O{sub 3} or V{sub 2}O{sub 5}) glass systems by FTIR spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andronache, Constantin I., E-mail: androtin03@yahoo.com; Racolta, Dania, E-mail: androtin03@yahoo.com

2014-11-24

Glasses from the systems xMO⋅(100−x)[P{sub 2}O{sub 5}⋅Li{sub 2}O] (MO = Fe{sub 2}O{sub 3} or V{sub 2}O{sub 5}) with 0 ≤ x ≤ mol % were prepared in the same conditions and characterized by IR spectroscopy. It was established the mode in which both Fe{sub 2}O{sub 3} and V{sub 2}O{sub 5} influences the local structure of these glasses. The iron ions generally modify in a different way the local structure of these glasses then vanadium ions. The results shown that phosphate units are the main structural units of glass system and the iron and vanadium ions are located in the network.

Quaternary heterostructured Ag–Bi{sub 2}O{sub 2}CO{sub 3}/Bi{sub 3.64}Mo{sub 0.36}O{sub 6.55}/Bi{sub 2}MoO{sub 6} composite: Synthesis and enhanced visible-light-driven photocatalytic activity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Xue, E-mail: jlsdlinxue@126.com; Guo, Xiaoyu; Shi, Weilong

2015-09-15

In this work, a novel quaternary heterostructured Ag–Bi{sub 2}O{sub 2}CO{sub 3}/Bi{sub 3.64}Mo{sub 0.36}O{sub 6.55}/Bi{sub 2}MoO{sub 6} composite was fabricated through a low-temperature solution-phase route. The XRD, SEM, EDX and XPS results indicated the as-prepared sample is a four-phase composite of Bi{sub 2}O{sub 2}CO{sub 3}, Bi{sub 3.64}Mo{sub 0.36}O{sub 6.55}, Bi{sub 2}MoO{sub 6}, and Ag. The photocatalytic activities of the as-synthesized samples were evaluated towards the degradation of phenol red aqueous solution. The results showed that the as-synthesized Ag–Bi{sub 2}O{sub 2}CO{sub 3}/Bi{sub 3.64}Mo{sub 0.36}O{sub 6.55}/Bi{sub 2}MoO{sub 6} photocatalysts displayed much higher photocatalytic activities in comparison with pure Bi{sub 3.64}Mo{sub 0.36}O{sub 6.55}, puremore » Bi{sub 2}MoO{sub 6}, and Bi{sub 3.64}Mo{sub 0.36}O{sub 6.55}/Bi{sub 2}MoO{sub 6} composite. Among them, the 2.5% Ag–Bi{sub 2}O{sub 2}CO{sub 3}/Bi{sub 3.64}Mo{sub 0.36}O{sub 6.55}/Bi{sub 2}MoO{sub 6} sample performed the best. The enhanced photocatalytic activity of the composite photocatalyst was attributed predominantly to the efficient separation of photoinduced electrons and holes. In addition, Ag nanoparticles were photodeposited on the surface of the composite to increase visible-light absorption via the surface plasmon resonance, which is also beneficial to the enhancement of photocatalytic performance. The possible photocatalytic mechanism of the quaternary heterostructure was also discussed in detail. - Graphical abstract: Quaternary heterostructured Ag–Bi{sub 2}O{sub 2}CO{sub 3}/Bi{sub 3.64}Mo{sub 0.36}O{sub 6.55}/Bi{sub 2}MoO{sub 6} were fabricated. The as-synthesized Ag–Bi{sub 2}O{sub 2}CO{sub 3}/Bi{sub 3.64}Mo{sub 0.36}O{sub 6.55}/Bi{sub 2}MoO{sub 6} photocatalysts displayed much higher photocatalytic activities in comparison with pure Bi{sub 3.64}Mo{sub 0.36}O{sub 6.55}, pure Bi{sub 2}MoO{sub 6}, and Bi{sub 3.64}Mo{sub 0.36}O{sub 6.55}/Bi{sub 2}MoO{sub 6

IDENTIFYING PLANETARY BIOSIGNATURE IMPOSTORS: SPECTRAL FEATURES OF CO AND O{sub 4} RESULTING FROM ABIOTIC O{sub 2}/O{sub 3} PRODUCTION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwieterman, Edward W.; Meadows, Victoria S.; Arney, Giada N.

O{sub 2} and O{sub 3} have been long considered the most robust individual biosignature gases in a planetary atmosphere, yet multiple mechanisms that may produce them in the absence of life have been described. However, these abiotic planetary mechanisms modify the environment in potentially identifiable ways. Here we briefly discuss two of the most detectable spectral discriminants for abiotic O{sub 2}/O{sub 3}: CO and O{sub 4}. We produce the first explicit self-consistent simulations of these spectral discriminants as they may be seen by James Webb Space Telescope (JWST). If JWST-NIRISS and/or NIRSpec observe CO (2.35, 4.6 μm) in conjunction withmore » CO{sub 2} (1.6, 2.0, 4.3 μm) in the transmission spectrum of a terrestrial planet it could indicate robust CO{sub 2} photolysis and suggest that a future detection of O{sub 2} or O{sub 3} might not be biogenic. Strong O{sub 4} bands seen in transmission at 1.06 and 1.27 μm could be diagnostic of a post-runaway O{sub 2}-dominated atmosphere from massive H-escape. We find that for these false positive scenarios, CO at 2.35 μm, CO{sub 2} at 2.0 and 4.3 μm, and O{sub 4} at 1.27 μm are all stronger features in transmission than O{sub 2}/O{sub 3} and could be detected with S/Ns ≳ 3 for an Earth-size planet orbiting a nearby M dwarf star with as few as 10 transits, assuming photon-limited noise. O{sub 4} bands could also be sought in UV/VIS/NIR reflected light (at 0.345, 0.36, 0.38, 0.445, 0.475, 0.53, 0.57, 0.63, 1.06, and 1.27 μm) by a next generation direct-imaging telescope such as LUVOIR/HDST or HabEx and would indicate an oxygen atmosphere too massive to be biologically produced.« less

Effect of the addition of B{sub 2}O{sub 3} and BaO-B{sub 2}O{sub 3}-SiO{sub 2} glasses on the microstructure and dielectric properties of giant dielectric constant material CaCu{sub 3}Ti{sub 4}O{sub 12}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shri Prakash, B.; Varma, K.B.R.

2007-06-15

The effect of the addition of glassy phases on the microstructure and dielectric properties of CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO) ceramics was investigated. Both single-component (B{sub 2}O{sub 3}) and multi-component (30 wt% BaO-60 wt% B{sub 2}O{sub 3}-10 wt% SiO{sub 2} (BBS)) glass systems were chosen to study their effect on the density, microstructure and dielectric properties of CCTO. Addition of an optimum amount of B{sub 2}O{sub 3} glass facilitated grain growth and an increase in dielectric constant. However, further increase in the B{sub 2}O{sub 3} content resulted in its segregation at the grain boundaries associated with a reduction in themore » grain size. In contrast, BBS glass addition resulted in well-faceted grains and increase in the dielectric constant and decrease in the dielectric loss. An internal barrier layer capacitance (IBLC) model was invoked to correlate the dielectric constant with the grain size in these samples. - Graphical abstract: Scanning electron micrograph of 30 wt% BaO-60 wt% B{sub 2}O{sub 3}-10 wt% SiO{sub 2} (BBS) glass-added CaCu{sub 3}Ti{sub 4}O{sub 12} ceramic on sintering.« less

Selective hydrodesulfurization of 4,6-dimethyldibenzothiophene in the dominant presence of naphthalene over hybrid CoMo/A{sub 2}O{sub 3} and Ru/Al{sub 2}Al{sub 2}O{sub 3} catalyst

DOE Office of Scientific and Technical Information (OSTI.GOV)

Isoda, T.; Nagao, S.; Ma, X.

1995-12-31

Hydrodesulfurization of 4,6-dimethyldibenzothiophene (4,6-DMDBT) in decane containing significant amount of naphthalene was examined over a hybrid of CoMo/Al{sub 2}O{sub 3} and Ru/Al{sub 2}O{sub 3} to design the selective hydrogenation and successive desulfurization of 4,6-DMDBT in aromatic moiety, and its activity was compared to those of CoMo/Al{sub 2}O{sub 3}, NiMo/Al{sub 2}O{sub 3} and Ru/Al{sub 2}O{sub 3} in their single use. HDS activity of 4,6-DMDBT over NiMo/Al{sub 2}O{sub 3} was inferior to CoMo/Al{sub 2}O{sub 3}, although that of highest hydrogenation activity for naphthalene. The hybrid showed the highest activity for HDS of 4,6-DMDBT among these catalysts without excess hydrogenation of nahthalene.

Syntheses and crystal structures of two new hydrated borates, Zn{sub 8}[(BO{sub 3}){sub 3}O{sub 2}(OH){sub 3}] and Pb[B{sub 5}O{sub 8}(OH)].1.5H{sub 2}O

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen Xuean; Zhao Yinghua; Chang Xinan

Two new hydrated borates, Zn{sub 8}[(BO{sub 3}){sub 3}O{sub 2}(OH){sub 3}] and Pb[B{sub 5}O{sub 8}(OH)].1.5H{sub 2}O, have been prepared by hydrothermal reactions at 170 {sup o}C. Single-crystal X-ray structural analyses showed that Zn{sub 8}[(BO{sub 3}){sub 3}O{sub 2}(OH){sub 3}] crystallizes in a non-centrosymmetric space group R32 with a=8.006(2) A, c=17.751(2) A, Z=3 and Pb[B{sub 5}O{sub 8}(OH)].1.5H{sub 2}O in a triclinic space group P1-bar with a=6.656(2) A, b=6.714(2) A, c=10.701(2) A, {alpha}=99.07(2){sup o}, {beta}=93.67(2){sup o}, {gamma}=118.87(1){sup o}, Z=2. Zn{sub 8}[(BO{sub 3}){sub 3}O{sub 2}(OH){sub 3}] represents a new structure type in which Zn-centered tetrahedra are connected via common vertices leading to helical ribbons {submore » {infinity}} {sup 1}[Zn{sub 8}O{sub 15}(OH){sub 3}]{sup 17-} that pack side by side and are further condensed through sharing oxygen atoms to form a three-dimensional {sub {infinity}} {sup 3}[Zn{sub 8}O{sub 11}(OH){sub 3}]{sup 9-} framework. The boron atoms are incorporated into the channels in the framework to complete the final structure. Pb[B{sub 5}O{sub 8}(OH)].1.5H{sub 2}O is a layered compound containing double ring [B{sub 5}O{sub 8}(OH)]{sup 2-} building units that share exocyclic oxygen atoms to form a two-dimensional layer. Symmetry-center-related layers are stacked along the c-axis and held together by interlayer Pb{sup 2+} ions and water molecules via electrostatic and hydrogen bonding interactions. The IR spectra further confirmed the existence of both triangular BO{sub 3} and OH groups in Zn{sub 8}[(BO{sub 3}){sub 3}O{sub 2}(OH){sub 3}], and BO{sub 3}, BO{sub 4}, OH groups as well as guest water molecules in Pb[B{sub 5}O{sub 8}(OH)].1.5H{sub 2}O. -- Zn{sub 8}[(BO{sub 3}){sub 3}O{sub 2}(OH){sub 3}] represents a new structure type in which Zn-centered tetrahedra are connected via common vertices to form a three-dimensional framework. The boron atoms are incorporated into the channels in the framework to

Visible spectrum photofragmentation of O{sub 3}{sup −}(H{sub 2}O){sub n}, n ≤ 16

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lehman, Julia H.; Lineberger, W. Carl, E-mail: wcl@jila.colorado.edu

2014-10-21

Photofragmentation of ozonide solvated in water clusters, O{sub 3}{sup −}(H{sub 2}O){sub n}, n ≤ 16, has been studied as a function of photon energy as well as the degree of solvation. Using mass selection, the effect of the presence of the solvent molecule on the O{sub 3}{sup −} photodissociation process is assessed one solvent molecule at a time. The O{sub 3}{sup −} acts as a visible light chromophore within the water cluster, namely the O{sub 3}{sup −}(H{sub 2}O) total photodissociation cross-section exhibits generally the same photon energy dependence as isolated O{sub 3}{sup −} throughout the visible wavelength range studied (430–620more » nm). With the addition of a single solvent molecule, new photodissociation pathways are opened, including the production of recombined O{sub 3}{sup −}. As the degree of solvation of the parent anion increases, recombination to O{sub 3}{sup −}-based products accounts for close to 40% of photoproducts by n = 16. The remainder of the photoproducts exist as O{sup −}-based; no O{sub 2}{sup −}-based products are observed. Upper bounds on the O{sub 3}{sup −} solvation energy (530 meV) and the O{sup −}-OO bond dissociation energy in the cluster (1.06 eV) are derived.« less

Phase relations in the system Cu-Gd-O and Gibbs energy of formation of CuGd[sub 2]O[sub 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jacob, K.T.; Mathews, T.; Hajra, J.P.

1993-07-01

The phase relations in the system Cu-Gd-O have been determined at 1,273 K by X-ray diffraction, optical microscopy, and electron microprobe analysis of samples equilibrated in quartz ampules and in pure oxygen. Only one ternary compound, CuGd[sub 2]O[sub 4], was found to be stable. The Gibbs free energy of formation of this compound has been measured using the solid-state cell Pt, Cu[sub 2]O + CuGd[sub 2]O[sub 4] + Gd[sub 2]O[sub 3]//(Y[sub 2]O[sub 3])ZrO[sub 2]//CuO + Cu[sub 2]O, Pt in the temperature range of 900 to 1,350 K. For the formation of CuGd[sub 2]O[sub 4] from its binary component oxides, CuOmore » (s) + Gd[sub 2]O[sub 3] (s) [r arrow] CuGd[sub 2]O[sub 4] (s) [Delta]G[degree] = 8230 - 11.2T([plus minus]50)J/mol. Since the formation is endothermic, CuGd[sub 2]O[sub 4] becomes thermodynamically unstable with respect to CuO and Gd[sub 2]O[sub 3] below 735 K. When the oxygen partial pressure over CuGd[sub 2]O[sub 4] is lowered, it decomposes according to the reaction 4CuGd[sub 2]O[sub 4] (s) [r arrow] 4Gd[sub 2]O[sub 3] (s) + 2Cu[sub 2]O (s) + O[sub 2] (g) for which the equilibrium oxygen potential is given by [Delta][mu][sub o][sub 2] = [minus]227,970 + 143.2T([plus minus]500)J/mol. An oxygen potential diagram for the system Cu-Gd-O at 1,273 is presented.« less

Giant dielectric response and low dielectric loss in Al{sub 2}O{sub 3} grafted CaCu{sub 3}Ti{sub 4}O{sub 12} ceramics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rajabtabar-Darvishi, A.; Center for Surface and Nanoanalytics; Bayati, R., E-mail: reza.bayati@intel.com, E-mail: mbayati@ncsu.edu, E-mail: wdfei@hit.edu.cn

2015-03-07

This study sheds light on the effect of alumina on dielectric constant and dielectric loss of novel CaCu{sub 3}Ti{sub 4}O{sub 12} composite ceramics. Alumina, at several concentrations, was deposited on the surface of CaCu{sub 3}Ti{sub 4}O{sub 12} particles via sol-gel technique. The dielectric constant significantly increased for all frequencies and the dielectric loss substantially decreased for low and intermediate frequencies. These observations were attributed to the change in characteristics of grains and grain boundaries. It was found that the insulating properties of the grain boundaries are improved following the addition of Al{sub 2}O{sub 3}. The relative density of CaCu{sub 3}Ti{submore » 4}O{sub 12}/Al{sub 2}O{sub 3} composite ceramics decreased compared to the pure CaCu{sub 3}Ti{sub 4}O{sub 12} and the grain size was greatly changed with the alumina content affecting the dielectric properties. With the addition of alumina into CaCu{sub 3}Ti{sub 4}O{sub 12}, tighter interfaces formed. The 6%- and 10%-alumina ceramics showed the minimum dielectric loss and the maximum dielectric constant, respectively. Both the dielectric constant and loss tangent decreased in the 20%-alumina ceramic due to the formation of CuO secondary phase. It was revealed that Al serves as an electron acceptor decreasing the electron concentration, if Al{sup 3+} ions substitute for Ti{sup 4+} ions, and as an electron donor increasing the electron concentration, if Al{sup 3+} ions substitute for Ca{sup 2+} ions. We established a processing-microstructure-properties paradigm which opens new avenues for novel applications of CaCu{sub 3}Ti{sub 4}O{sub 12}/Al{sub 2}O{sub 3} composite ceramics.« less

Crystal structure of Rb{sub 2}Mn{sub 3}(H{sub 2}O){sub 2}[P{sub 2}O{sub 7}]{sub 2}, a new representative of the family of hydrated diphosphates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kiriukhina, G. V., E-mail: g-biralo@yandex.ru; Yakubovich, O. V.; Dimitrova, O. V.

2016-09-15

The crystal structure of Rb{sub 2}Mn{sub 3}(H{sub 2}O){sub 2}[P{sub 2}O{sub 7}]{sub 2}, a new phase obtained in the form of single crystals under hydrothermal conditions in the MnCl{sub 2}–Rb{sub 3}PO{sub 4}–H{sub 2}O system, is determined by X-ray diffraction (Xcalibur-S-CCD diffractometer, R = 0.0270): a = 9.374(2), b = 8.367(2), c = 9.437(2) Å, ß = 99.12(2)°, space group P2{sub 1}/c, Z = 2, D{sub x} = 3.27 g/cm{sup 3}. A correlation between the unit-cell parameters and the size of cations forming the crystal structures of isostructural A{sub 2}M{sub 3}(H{sub 2}O){sub 2}[P{sub 2}O{sub 7}]{sub 2} diphosphates (A = K, NH{sub 4},more » Rb, or Na; {sub M} = Mn, Fe, Co, or Ni) is revealed. It is shown that, due to the topological similarity, the structures of diphosphates and orthophosphates of the farringtonite structural type can undergo mutual transformations.« less

ULTRAVIOLET PHOTON-INDUCED SYNTHESIS AND TRAPPING OF H{sub 2}O{sub 2} AND O{sub 3} IN POROUS WATER ICE FILMS IN THE PRESENCE OF AMBIENT O{sub 2}: IMPLICATIONS FOR EXTRATERRESTRIAL ICE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, J.; Raut, U.; Kim, J.-H.

2011-09-01

The mass uptake of ambient oxygen in nanoporous ice is enhanced by irradiation with 193 nm photons, due to conversion of O{sub 2} into H{sub 2}O{sub 2} and O{sub 3}, with an efficiency that increases with decreasing temperature. These findings show a new way to form H{sub 2}O{sub 2} and O{sub 3} on icy surfaces in the outer solar system at depths much larger than are accessible by typical ionizing radiation, with possible astrobiological implications.

Applications of molybdenum-95 NMR spectroscopy. 7. Studies of metal-metal bonded systems including aqueous molybdenum(IV) and molybdenum(V). Crystal and molecular structure of Na/sub 2/(Mo/sub 3/O/sub 4/((O/sub 2/CCH/sub 2/)/sub 2/NCH/sub 3/)/sub 3/). 7H/sub 2/O

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghellar, S.F.; Hambley, T.W.; Brownlee, R.T.

1983-03-23

Solution /sup 95/Mo NMR studies are reported on spin-coupled polynuclear systems of Mo(V), Mo(IV), and Mo(II). Resonances occur at low fields compared to mononuclear species. The chemical shifts of the Mo(IV)-aquo ion in 4 M p-toluenesulfonic and methanesulfonic acid media and those of the Mo(IV) complexes containing oxalate, EDTA, and methyliminodiacetate ligands (whose solid-state structures are based on the (Mo/sub 3/O/sub 4/)/sup 4 +/ cluster) fall in the narrow range of 172 ppm spanning 990-1162 ppm. As the known chemical shift scale for the /sup 95/Mo nucleus covers 7000 ppm, this observation indicates that the /sup 95/Mo nucleus is inmore » a similar chemical environment in each of the species examined and, taken with published evidence, confirms formulation of the Mo(IV)-aquo ion as (Mo/sub 3/O/sub 4/(H/sub 2/O)/sub 9/)/sup 4 +/. Two resonances are detected in the above range for Mo(IV)/sub aq/ in 4 M hydrochloric acid and for ((Mo/sub 3/O/sub 4/)/sub 2/(PDTA)/sub 3/)/sup 4 -/. Additional resonances appear at 539-608 ppm in the methanesulfonic acid, hydrochloric acid, and EDTA systems when stored in air. These are assigned to (Mo/sup v//sub 2/O/sub 4/)/sup 2 +/-based species by comparison with the observed resonances of the Mo(V)-aquo ion, (Mo/sup v//sub 2/O/sub 4/(H/sub 2/O)/sub 6/)/sup 2 +/, in the relevant acid media and with (Mo/sup v//sub 2/O/sub 4/(EDTA))/sup 2 -/ in H/sub 2/O. The (Mo/sup v//sub 2/O/sub 4/(PDTA))/sup 2 -/ anion exhibits two resonances associated with inequivalent molybdenum sites. Resonances for (Mo/sup II//sub 2/(O/sub 2/CR)/sub 4/) (R = CF/sub 3/, n-Pr), which contain formal quadruple bonds, have been observed for the first time and are the most deshielded /sup 95/Mo NMR signals detected to date. The methyliminodiacetate complex, Na/sub 2/(Mo/sub 3/O/sub 4/((O/sub 2/CCH/sub 2/)/sub 2/NCH/sub 3/)/sub 3/).7H/sub 2/O, was isolated. Its crystal structure contains a discrete trinuclear (Mo/sup IV//sub 3/O/sub 4/((O/sub 2/CCH/sub 2

Grain size engineering for ferroelectric Hf{sub 0.5}Zr{sub 0.5}O{sub 2} films by an insertion of Al{sub 2}O{sub 3} interlayer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Han Joon; Park, Min Hyuk; Kim, Yu Jin

2014-11-10

The degradation of ferroelectric (FE) properties of atomic layer deposited Hf{sub 0.5}Zr{sub 0.5}O{sub 2} films with increasing thickness was mitigated by inserting 1 nm-thick Al{sub 2}O{sub 3} interlayer at middle position of the thickness of the FE film. The large P{sub r} of 10 μC/cm{sup 2}, which is 11 times larger than that of single layer Hf{sub 0.5}Zr{sub 0.5}O{sub 2} film with equivalent thickness, was achieved from the films as thick as 40 nm. The Al{sub 2}O{sub 3} interlayer could interrupt the continual growth of Hf{sub 0.5}Zr{sub 0.5}O{sub 2} films, and the resulting decrease of grain size prevented the formation of non-ferroelectricmore » monoclinic phase. The Al{sub 2}O{sub 3} interlayer also largely decreased the leakage current of the Hf{sub 0.5}Zr{sub 0.5}O{sub 2} films.« less

Simultaneous presence of (Si{sub 3}O{sub 10}){sup 8−} and (Si{sub 2}O{sub 7}){sup 6−} groups in new synthetic mixed sorosilicates: BaY{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}) and isotypic compounds, studied by single-crystal X-ray diffraction, Raman spectroscopy and DFT calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wierzbicka-Wieczorek, Maria, E-mail: maria.wierzbicka-wieczorek@uni-jena.de; Többens, Daniel M.; Kolitsch, Uwe

2013-11-15

Three new, isotypic silicate compounds, BaY{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}), SrYb{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}) and SrSc{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}), were synthesized using high-temperature flux growth techniques, and their crystal structures were solved from single-crystal X-ray intensity data: monoclinic, P2{sub 1}/m, with a=5.532(1)/5.469(1)/5.278(1), b=19.734(4)/19.447(4)/19.221(4), c=6.868(1)/6.785(1)/6.562(1) Å, β=106.53(3)/106.20(3)/106.50(3)°, V=718.8(2)/693.0(2)/638.3(2) Å{sup 3}, R(F)=0.0225/0.0204/0.0270, respectively. The topology of the novel structure type contains isolated horseshoe-shaped Si{sub 3}O{sub 10} groups (Si–Si–Si=93.15–95.98°), Si{sub 2}O{sub 7} groups (Si–O{sub bridge}–Si=180°, symmetry-restricted) and edge-sharing M(1)O{sub 6} and M(2)O{sub 6} octahedra. Single-crystal Raman spectra of the title compounds were measured and compared with Raman spectroscopicmore » data of chemically and topologically related disilicates and trisilicates, including BaY{sub 2}(Si{sub 3}O{sub 10}) and SrY{sub 2}(Si{sub 3}O{sub 10}). The band assignments are supported by additional theoretical calculation of Raman vibrations by DFT methods. - Graphical abstract: View of BaY{sub 4}(Si{sub 2}O{sub 7})(Si{sub 3}O{sub 10}) along [100], showing zigzag chains and the tri- and disilicate groups. The unit cell is outlined. Display Omitted - Highlights: • We report a novel interesting crystal structure type for mixed sorosilicates containing Y, Yb, and Sc. • Synthesis of such mixed sorosilicates is possible by a high-temperature flux-growth technique. • Calculation of Raman vibrations by advanced DFT methods allows a considerably improved interpretation of measured Raman spectra.« less

Non-isothermal crystallization kinetics of Fe{sub 2}O{sub 3}–CaO–SiO{sub 2} glass containing nucleation agent P{sub 2}O{sub 5}/TiO{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Bin, E-mail: stra-ceo@163.com; Wang, Yongya; Luo, Wenqin

Fe{sub 2}O{sub 3}–CaO–SiO{sub 2} glass ceramics containing nucleation agent P{sub 2}O{sub 5}/TiO{sub 2} were prepared by sol-gel method. The samples were characterized by X-ray diffraction (XRD) and differential scanning calorimetry (DSC). The activation energy and kinetic parameters for crystallization of the samples were calculated by the Johnson-Mehi-Avrami (JMA) model and Augis-Bennett method according to the results of DSC. The results showed that the crystallization mechanism of Fe{sub 2}O{sub 3}–CaO–SiO{sub 2} glass, whose non-isothermal kinetic parameter n = 2.3, was consistent with surface crystallization of the JMA model. The kinetics model function of Fe{sub 2}O{sub 3}–CaO–SiO{sub 2} glass, f(α) = 2.3(1–α)[–ln(1–α)]{supmore » 0.57}, was also obtained. The addition of nucleation agent P{sub 2}O{sub 5}/TiO{sub 2} could reduce the activation energy, which made the crystal growth modes change from onedimensional to three-dimensional.« less

Mesoporous mixed-phase Ga{sub 2}O{sub 3}: Green synthesis and enhanced photocatalytic activity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Jin; The Key Laboratory of Rare Earth Functional Materials and Applications, Zhoukou Normal University, Zhoukou 466001; Zhang, Gaoke, E-mail: gkzhang@whut.edu.cn

2015-08-15

Highlights: • Mixed-phase Ga{sub 2}O{sub 3} was synthesized by a facile and green method. • Mixed-phase Ga{sub 2}O{sub 3} exhibited good photocatalytic activity and stability. • The reactive species in the photocatalytic process were investigated. - Abstract: Mesoporous mixed-phase Ga{sub 2}O{sub 3} was synthesized by calcining the GaOOH precursor. The composition, crystal phase and microstructures of Ga{sub 2}O{sub 3} were characterized in detail. The phase composition of the as-prepared Ga{sub 2}O{sub 3} depended on the calcination temperature and the mixed-phase Ga{sub 2}O{sub 3} was obtained at 600–700 °C. As compared to the pure-phase α-Ga{sub 2}O{sub 3} and β-Ga{sub 2}O{sub 3},more » the mixed-phase Ga{sub 2}O{sub 3} exhibited an enhanced photocatalytic property for the degradation of metronidazole solution. The heterojunction in the mixed-phase Ga{sub 2}O{sub 3} was beneficial to the separation of photogenerated electrons and holes. Moreover, the mixed-phase Ga{sub 2}O{sub 3} possessed mesopore structure, which increased more reaction sites and was in favor of the contact of metronidazole molecules with reaction sites. The recycling experiments show that the mixed-phase Ga{sub 2}O{sub 3} has good stability and can be separated easily from the reaction system.« less

Fe{sub 2.5}[BP{sub 2}O{sub 7}(OH){sub 2}][PO{sub 3}(OH)][PO{sub 3}(O{sub 0.5}OH{sub 0.5})] · H{sub 2}O, a new phosphate-borophosphate with a microporous structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belokoneva, E. L., E-mail: elbel@geol.msu.ru; Dimitrova, O. V.

2015-05-15

A new phosphate-borophosphate Fe{sub 2.5}{sup 3+}[BP{sub 2}O{sub 7}(OH){sub 2}][PO{sub 3}(OH)][PO{sub 3}(O{sub 0.5}OH{sub 0.5})] · H{sub 2}O, space group P12{sub 1}/n, is obtained under hydrothermal conditions. Blocks (Fe{sup 3+}(PO{sub 4}){sub 6}){sup 15−} consisting of vertex-sharing (Fe1,Fe2)O{sub 6} octahedra and six PO{sub 4} tetrahedra are distinguished in the structure of the new phase, which was determined without preliminary knowledge of the chemical formula. Such blocks are known for many phosphates (borophosphates), germanates, gallates, and silicates. Blocks form layers connected by BO{sub 4} tetrahedra into a framework with large pores reaching ∼9.5 Å, which are occupied by water molecules. The out-of-layer octahedral positionmore » of the Fe3 atom is split and occupied statistically. The anion radical is characterized as a phosphate-borophosphate: it consists of two isolated PO4 tetrahedra and a borophosphate soro group [BP{sub 2}O{sub 7}(OH){sub 2}] first found in NaIn[BP{sub 2}O{sub 8}(OH)]. A layer of octahedra is characterized by higher local symmetry corresponding to the orthorhombic group Pm2{sub 1}n.« less

Surface phase of TiO{sub 2} modified with La{sub 2}O{sub 3} and its effect on the photocatalytic H{sub 2} evolution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yangyang; Zhang, Jing, E-mail: jingzhang_dicp@live.cn; Xu, Qian

2014-05-01

Graphical abstract: The La{sub 2}O{sub 3}/TiO{sub 2}-900 °C (or La{sub 2}O{sub 3}/Ti(OH){sub 4}-900 °C), with surface anatase phase, show the similar photocatalytic activity. The presence of the surface anatase phase is important for high photocatalytic activity of TiO{sub 2} modified with La{sub 2}O{sub 3} (La{sub 2}O{sub 3}/Ti(OH){sub 4}-900 °C or La{sub 2}O{sub 3}/Ti(OH){sub 4}-900 °C){sub .} - Highlights: • Loading La{sub 2}O{sub 3} on anatase TiO{sub 2} is an effective method for stabilizing the anatase phases both in the surface and in the bulk region. • The high crystallinity of the surface anatase phase is important for high photocatalytic activitymore » of TiO{sub 2} modified with La{sub 2}O{sub 3.} - Abstract: TiO{sub 2} nanoparticles modified with La{sub 2}O{sub 3} were prepared by an impregnation method using anatase TiO{sub 2} support (La{sub 2}O{sub 3}/TiO{sub 2}) or amorphous Ti(OH){sub 4} support (La{sub 2}O{sub 3}/Ti(OH){sub 4}). The bulk and surface crystalline phases of La{sub 2}O{sub 3}/TiO{sub 2} (or La{sub 2}O{sub 3}/Ti(OH){sub 4}) have been characterized by X-ray powder diffraction (XRD) and UV Raman spectroscopy. Besides, morphology and particle size of La{sub 2}O{sub 3}/TiO{sub 2} and La{sub 2}O{sub 3}/Ti(OH){sub 4} samples have been determined by TEM (transmission electron microscope) and Brunauer–Emmett–Teller (BET), respectively. It is found that the phase transformation and increase of the particle size of TiO{sub 2} can be more effectively inhibited in the La{sub 2}O{sub 3}/TiO{sub 2} than in the La{sub 2}O{sub 3}/Ti(OH){sub 4}. Photocatalytic experiments indicated that the La{sub 2}O{sub 3}/TiO{sub 2} (or La{sub 2}O{sub 3}/Ti(OH){sub 4}) samples with surface anatase phase have the similar overall photocatalytic activities. Moreover, it is found that the high crystallinity of surface anatase phase is benefit for the high photocatalytic activity of TiO{sub 2} modified with La{sub 2}O{sub 3}.« less

Magnetically separable mesoporous Fe{sub 3}O{sub 4}/silica catalysts with very low Fe{sub 3}O{sub 4} content

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grau-Atienza, A.; Serrano, E.; Linares, N.

2016-05-15

Two magnetically separable Fe{sub 3}O{sub 4}/SiO{sub 2} (aerogel and MSU-X) composites with very low Fe{sub 3}O{sub 4} content (<1 wt%) have been successfully prepared at room temperature by co-condensation of MPTES-functionalized Fe{sub 3}O{sub 4} nanoparticles (NPs) with a silicon alkoxide. This procedure yields a homogeneous incorporation of the Fe{sub 3}O{sub 4} NPs on silica supports, leading to magnetic composites that can be easily recovered using an external magnetic field, despite their very low Fe{sub 3}O{sub 4} NPs content (ca. 1 wt%). These novel hybrid Fe{sub 3}O{sub 4}/SiO{sub 2} materials have been tested for the oxidation reaction of 3,3′,5,5′-tetramethylbenzidine (TMB) withmore » hydrogen peroxide showing an enhancement of the stability of the NPs in the Fe{sub 3}O{sub 4}/silica aerogel as compared to the Fe{sub 3}O{sub 4} NPs alone, even after five catalytic cycles, no leaching or agglomeration of the Fe{sub 3}O{sub 4}/SiO{sub 2} systems. - Graphical abstract: Novel magnetically separable mesoporous silica-based composites with very low magnetite content. - Highlights: • An innovative way to prepare magnetically separable composites with <1 wt% NPs. • The Fe{sub 3}O{sub 4}/silica composites are readily magnetized/demagnetized. • The Fe{sub 3}O{sub 4}/silica composites can be easily recovered using an external magnetic field. • Excellent catalytic performance and recyclability despite the low Fe{sub 3}O{sub 4} NPs content.« less

Anti-adhesive characteristics of CHF{sub 3}/O{sub 2} and C{sub 4}F{sub 8}/O{sub 2} plasma-modified silicon molds for nanoimprint lithography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Jaemin; Lee, Junmyung; Lee, Hyun Woo

The anti-adhesive characteristics of a plasma-modified silicon mold surface for nanoimprint lithography are presented. Both CHF{sub 3}/O{sub 2} and C{sub 4}F{sub 8}/O{sub 2} plasma were used to form an anti-adhesive layer on silicon mold surfaces. The gas mixing ratios of CHF{sub 3}/O{sub 2} and C{sub 4}F{sub 8}/O{sub 2} were experimentally changed between 0% and 80% to optimize the plasma conditions to obtain a low surface energy of the silicon mold. The plasma characteristics were examined by optical emission spectroscopy (OES). In order to investigate the changes in surface energy and surface chemistry of the anti-adhesive layer during repeated demolding cycles,more » contact angle measurements and X-ray photoelectron spectroscopy (XPS) were performed on the plasma-modified silicon mold surface. Simultaneously, the surface morphology of the demolded resists was evaluated by field-emission scanning electron microscope (FE-SEM) in order to examine the effect of the anti-adhesive layers on the duplicated patterns of the resists. It was observed that the anti-adhesive layer formed by CHF{sub 3}/O{sub 2} plasma treatment was worn out more easily during repeated demolding cycles than the film formed by C{sub 4}F{sub 8}/O{sub 2} plasma treatment, because CHF{sub 3}/O{sub 2} gas plasma formed a thinner plasma-polymerized film over the same plasma treatment time.« less

The effect of glass additives on the microwave dielectric properties of Ba(Mg{sub 1/3}Ta{sub 2/3})O{sub 3} ceramics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Surendran, K.P.; Mohanan, P.; Sebastian, M.T.

2004-11-01

The effect of glass additives on the densification, phase evolution, microstructure and microwave dielectric properties of Ba(Mg{sub 1/3}Ta{sub 2/3})O{sub 3} (BMT) was investigated. Different weight percentages of quenched glass such as B{sub 2}O{sub 3}, SiO{sub 2}, B{sub 2}O{sub 3}-SiO{sub 2}, ZnO-B{sub 2}O{sub 3}, 5ZnO-2B{sub 2}O{sub 3}, Al{sub 2}O{sub 3}-SiO{sub 2}, Na{sub 2}O-2B{sub 2}O{sub 3}.10H{sub 2}O, BaO-B{sub 2}O{sub 3}-SiO{sub 2}, MgO-B{sub 2}O{sub 3}-SiO{sub 2}, PbO-B{sub 2}O{sub 3}-SiO{sub 2}, ZnO-B{sub 2}O{sub 3}-SiO{sub 2} and 2MgO-Al{sub 2}O{sub 3}-5SiO{sub 2} were added to calcined BMT precursor. The sintering temperature of the glass-added BMT samples were lowered down to 1300 deg. C compared to solid-statemore » sintering where the temperature was 1650{sup o}C. The formation of high temperature satellite phases such as Ba{sub 5}Ta{sub 4}O{sub 15} and Ba{sub 7}Ta{sub 6}O{sub 22} were found to be suppressed by the glass addition. Addition of glass systems such as B{sub 2}O{sub 3}, ZnO-B{sub 2}O{sub 3}, 5ZnO-2B{sub 2}O{sub 3} and ZnO-B{sub 2}O{sub 3}-SiO{sub 2} improved the densification and microwave dielectric properties. Other glasses were found to react with BMT to form low-Q phases which prevented densification. The microwave dielectric properties of undoped BMT with a densification of 93.1% of the theoretical density were {epsilon}r=24.8, {tau}f=8ppm/{sup o}C and Q{sub u}xf=80,000GHz. The BMT doped with 1.0wt% of B{sub 2}O{sub 3} has Q{sub u}xf=124,700GHz, {epsilon}r=24.2, and {tau}f=-1.3ppm/ deg/ C. The unloaded Q factor of 0.2wt% ZnO-B{sub 2}O{sub 3}-doped BMT was 136,500GHz while that of 1.0wt% of 5ZnO-2B{sub 2}O{sub 3} added ceramic was Q{sub u}xf=141,800GHz. The best microwave quality factor was observed for ZnO-B{sub 2}O{sub 3}-SiO{sub 2} (ZBS) glass-added ceramics which can act as a perfect liquid-phase medium for the sintering of BMT. The microwave dielectric properties of 0.2wt% ZBS-added BMT dielectric was Q{sub u}xf=152,800GHz

Trapped charge densities in Al{sub 2}O{sub 3}-based silicon surface passivation layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jordan, Paul M., E-mail: Paul.Jordan@namlab.com; Simon, Daniel K.; Dirnstorfer, Ingo

2016-06-07

In Al{sub 2}O{sub 3}-based passivation layers, the formation of fixed charges and trap sites can be strongly influenced by small modifications in the stack layout. Fixed and trapped charge densities are characterized with capacitance voltage profiling and trap spectroscopy by charge injection and sensing, respectively. Al{sub 2}O{sub 3} layers are grown by atomic layer deposition with very thin (∼1 nm) SiO{sub 2} or HfO{sub 2} interlayers or interface layers. In SiO{sub 2}/Al{sub 2}O{sub 3} and HfO{sub 2}/Al{sub 2}O{sub 3} stacks, both fixed charges and trap sites are reduced by at least a factor of 5 compared with the value measured inmore » pure Al{sub 2}O{sub 3}. In Al{sub 2}O{sub 3}/SiO{sub 2}/Al{sub 2}O{sub 3} or Al{sub 2}O{sub 3}/HfO{sub 2}/Al{sub 2}O{sub 3} stacks, very high total charge densities of up to 9 × 10{sup 12} cm{sup −2} are achieved. These charge densities are described as functions of electrical stress voltage, time, and the Al{sub 2}O{sub 3} layer thickness between silicon and the HfO{sub 2} or the SiO{sub 2} interlayer. Despite the strong variation of trap sites, all stacks reach very good effective carrier lifetimes of up to 8 and 20 ms on p- and n-type silicon substrates, respectively. Controlling the trap sites in Al{sub 2}O{sub 3} layers opens the possibility to engineer the field-effect passivation in the solar cells.« less

Growth and luminescent properties of scintillators based on the single crystalline films of Lu{sub 3−x}Gd{sub x}Al{sub 5}O{sub 12}:Ce garnet

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zorenko, Yu, E-mail: zorenko@ukw.edu.pl; Laboratory for Optoelectronic Materials, Department of Electronics of Ivan Franko National University of Lviv, 79017 Lviv; Gorbenko, V.

Highlights: • Single crystalline films of Lu{sub 3−x}Gd{sub x}Al{sub 5}O{sub 12} garnets at x = 0 ÷ 3.0 were grown by LPE method onto YAG substrates. • Lattice constant of Lu{sub 3−}Gd{sub x}Al{sub 5}O{sub 12}:Ce film and the misfit m between films and YAG substrate changed linearly with increasing of Gd content. • Effective Gd{sup 3+}–Ce{sup 3+} energy transfer occurs in the Lu{sub 3−x}Gd{sub x}Al{sub 5}O{sub 12}:Ce films. • Best scintillation light yield is observed in the Lu{sub 3}Al{sub 5}O{sub 12}:Ce and Lu{sub 2.4}Gd{sub 0.6}Al{sub 5}O{sub 12}:Ce films. • Increase of the Gd content in x = 1.5–2.5 range resultsmore » in decreasing the scintillation LY of Lu{sub 3−x}Gd{sub x}Al{sub 5}O{sub 12}:Ce films. - Abstract: The work is related to the growth of scintillators based on the single crystalline films (SCF) of Ce{sup 3+} doped Lu{sub 3−}Gd{sub x}Al{sub 5}O{sub 12} mixed rare-earth garnets by Liquid Phase Epitaxy (LPE) method. We have shown, that full set of Lu{sub 3−}Gd{sub x}Al{sub 5}O{sub 12} SCFs with x values ranging from 0 to 3.0 can be successfully crystallized by the LPE method onto Y{sub 3}Al{sub 5}O{sub 12} (YAG) substrates from the melt-solutions based on PbO-B{sub 2}O{sub 3} flux. The absorption, X-ray excited luminescence, photoluminescence, thermoluminescence and light yield measurements, the latter under excitation by α-particles of {sup 239}Pu and {sup 241}Am radioisotopes, were applied for their characterization.« less

Addition of NH{sub 3} to Al{sub 3}O{sub 3}{sup -}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wyrwas, Richard B.; Jarrold, Caroline Chick; Das, Ujjal

2006-05-28

Recent computational studies on the addition of ammonia (NH{sub 3}) to the Al{sub 3}O{sub 3}{sup -} cluster anion [A. Guevara-Garcia, A. Martinez, and J. V. Ortiz, J. Chem. Phys. 122, 214309 (2005)] have motivated experimental and additional computational studies, reported here. Al{sub 3}O{sub 3}{sup -} is observed to react with a single NH{sub 3} molecule to form the Al{sub 3}O{sub 3}NH{sub 3}{sup -} ion in mass spectrometric studies. This is in contrast to similarly performed studies with water, in which the Al{sub 3}O{sub 5}H{sub 4}{sup -} product was highly favored. However, the anion PE spectrum of the ammoniated species ismore » very similar to that of Al{sub 3}O{sub 4}H{sub 2}{sup -}. The adiabatic electron affinity of Al{sub 3}O{sub 3}NH{sub 3} is determined to be 2.35(5) eV. Based on comparison between the spectra and calculated electron affinities, it appears that NH{sub 3} adds dissociatively to Al{sub 3}O{sub 3}{sup -}, suggesting that the time for the Al{sub 3}O{sub 3}{sup -}{center_dot}NH{sub 3} complex to either overcome or tunnel through the barrier to proton transfer (which is higher for NH{sub 3} than for water) is short relative to the time for collisional cooling in the experiment.« less

Nonlinear refraction and two-photon absorption in dense 2Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paramesh, Gadige; Varma, K. B. R.

2012-06-05

High density transparent glasses (7.86 g/cc) were fabricated in the 2Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} (BBO) system. Optical band gap of the obtained glasses was found to be 2.6eV. The refractive index measured for these glasses was 2.25{+-}0.05 at {lambda}=543 nm. Nonlinear refraction and absorption studies were carried out on the BBO glasses using z-scan technique at {lambda}=532 nm of 10 ns pulse width. The nonlinear refractive index obtained was n{sub 2}=12.1x10{sup -14} cm{sup 2}/W and nonlinear absorption coefficient was {beta}=15.2 cm/GW. The n{sub 2} and {beta} values of the BBO glasses were large compared to the other reported highmore » index bismuth based oxide glass systems in the literature. These were attributed to the high density, high linear refractive index, low band gap and two photon absorption associated with these glasses. The electronic origin of large nonlinearities was discussed based on bond-orbital theory.« less

New vanadium tellurites: Syntheses, structures, optical properties of noncentrosymmetric VTeO{sub 4}(OH), centrosymmetric Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10})

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liang, Ming-Li; State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002; Marsh, Matthew

Two new vanadium tellurites, VTeO{sub 4}(OH) (1) and Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10}) (2), have been synthesized successfully with the use of hydrothermal reactions. The crystal structures of the two compounds were determined by single-crystal X-ray diffraction. Compound 1 crystallizes in the polar space group Pca2{sub 1} (No. 29) while compound 2 crystallizes in the centrosymmetric space group C2/c (No. 15). The topography of compound 1 reveals a two-dimensional, layered structure comprised of VO{sub 6} octahedral chains and TeO{sub 3}(OH) zig-zag chains. Compound 2, on the contrary, features a three-dimensional [V{sub 4}O{sub 8}(Te{sub 3}O{sub 10})]{sup 4-} anionic framework withmore » Ba{sup 2+} ions filled into the 10-member ring helical tunnels. The [V{sub 4}O{sub 8}(Te{sub 3}O{sub 10})]{sup 4-} anionic network is the first 3D vanadium tellurite framework to be discovered in the alkaline-earth vanadium tellurite system. Powder second harmonic generation (SHG) measurements indicate that compound 1 shows a weak SHG response of about 0.3×KDP (KH{sub 2}PO{sub 4}) under 1064 nm laser radiation. Infrared spectroscopy, elemental analysis, thermal analysis, and dipole moment calculations have also been carried out. - Graphical abstract: VTeO{sub 4}(OH) (1) crystallizes in the noncentrosymmetric space group Pca2{sub 1} (No. 29) while Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10}) (2) crystallizes in the centrosymmetric space group C2/c (No. 15). - Highlights: • VTeO{sub 4}(OH) (1) and Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10}) (2) have been synthesized successfully with the use of hydrothermal reactions. • VTeO{sub 4}(OH) (1) crystallizes in the noncentrosymmetric space group Pca2{sub 1} and displays a weak SHG response. • VTeO{sub 4}(OH) (1) represents only the fourth SHG-active material found in vanadium tellurite systems. • Ba{sub 2}V{sub 4}O{sub 8}(Te{sub 3}O{sub 10}) (2) exhibits a novel three-dimensional [V{sub 4}O{sub 8}(Te{sub 3}O{sub

From Ba{sub 3}Ta{sub 5}O{sub 14}N to LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2}: Decreasing the optical band gap of a photocatalyst

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anke, B.; Bredow, T.; Pilarski, M.

Yellow LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} was successfully synthesized as phase-pure material crystallizing isostructurally to previously reported Ba{sub 3}Ta{sub 5}O{sub 14}N and mixed-valence Ba{sub 3}Ta{sup V}{sub 4}Ta{sup IV}O{sub 15}. The electronic structure of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} was studied theoretically with the range-separated hybrid method HSE06. The most stable structure was obtained when lanthanum was placed on 2a and nitrogen on 4h sites confirming Pauling's second rule. By incorporating nitrogen, the measured band gap decreases from ∼3.8 eV for the oxide via 2.74 eV for Ba{sub 3}Ta{sub 5}O{sub 14}N to 2.63 eV for the new oxide nitride, giving risemore » to an absorption band well in the visible-light region. Calculated fundamental band gaps confirm the experimental trend. The atom-projected density of states has large contributions from N2p orbitals close to the valence band edge. These are responsible for the observed band gap reduction. Photocatalytic hydrogen formation was investigated and compared with that of Ba{sub 3}Ta{sub 5}O{sub 14}N revealing significantly higher activity for LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} under UV-light. - Graphical abstract: X-ray powder diffraction pattern of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} with the results of the Rietveld refinements. Inset: Unit cell of LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2} and polyhedral representation of the crystal structure. - Highlights: • Synthesis of a new oxide nitride LaBa{sub 2}Ta{sub 5}O{sub 13}N{sub 2}. • Refinement of the crystal structure. • Quantum chemical calculations provided band gap close to the measured value. • New phase shows a higher photocatalytic H{sub 2} evolution rate compared to prior tested Ba{sub 3}Ta{sub 5}O{sub 14}N.« less

Ba{sub 2}B{sub 2}O{sub 5}:Ce{sup 3+}: A novel blue emitting phosphor for white LEDs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Panlai, E-mail: li_panlai@126.com; Wang, Zhijun, E-mail: wangzj1998@126.com; Yang, Zhiping

2014-12-15

Graphical abstract: Under the 350 nm radiation excitation, Ba{sub 2}B{sub 2}O{sub 5}:Ce{sup 3+} has a broad blue emission band. When the temperature turned up to 150 °C, the emission intensity of Ba{sub 1.97}B{sub 2}O{sub 5}:0.03Ce{sup 3+} is 63.4% of the initial value at room temperature. The activation energy ΔE is calculated to be 0.25 eV, which prove the good thermal stability of Ba{sub 2}B{sub 2}O{sub 5}:Ce{sup 3+}. All the properties indicate that Ba{sub 2}B{sub 2}O{sub 5}:Ce{sup 3+} may have potential application in white LEDs. - Highlights: • Ba{sub 2}B{sub 2}O{sub 5}:Ce{sup 3+} has a broad blue emission band under themore » 350 nm radiation excitation. • Emission intensity of Ba{sub 2}B{sub 2}O{sub 5}:Ce{sup 3+} is 63.4% (150 °C) of the initial value (30 °C). • The activation energy ΔE for thermal quenching is 0.25 eV. - Abstract: A novel blue emitting phosphor Ba{sub 2}B{sub 2}O{sub 5}:Ce{sup 3+} is synthesized by a high temperature solid state method. The luminescent property and the thermal stability of Ba{sub 2}B{sub 2}O{sub 5}:Ce{sup 3+} are investigated. Under the 350 nm radiation excitation, Ba{sub 2}B{sub 2}O{sub 5}:Ce{sup 3+} has a broad blue emission band, and the peak locates at 417 nm which is assigned to the 5d{sup 1}–4f{sup 1} transition of Ce{sup 3+}. It is further proved that the dipole–dipole interaction results in the concentration quenching of Ce{sup 3+} in Ba{sub 2}B{sub 2}O{sub 5}:Ce{sup 3+}. When the temperature turned up to 150 °C, the emission intensity of Ba{sub 1.97}B{sub 2}O{sub 5}:0.03Ce{sup 3+} is 63.4% of the initial value at room temperature. The activation energy ΔE is calculated to be 0.25 eV, which prove the good thermal stability of Ba{sub 2}B{sub 2}O{sub 5}:Ce{sup 3+}. All the properties indicate that Ba{sub 2}B{sub 2}O{sub 5}:Ce{sup 3+} may have potential application in white LEDs.« less

Synthesis and an X-ray diffraction study of Rb{sub 2}[(UO{sub 2}){sub 2}(C{sub 2}O{sub 4}){sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Serezhkina, L. B., E-mail: Lserezh@ssu.samara.ru; Peresypkina, E. V.; Neklyudova, N. A.

2010-09-15

The synthesis and X-ray diffraction study of compound Rb{sub 2}[(UO{sub 2}){sub 2}(C{sub 2}O{sub 4}){sub 3}], which crystallizes in the monoclinic crystal system, are performed. The unit cell parameters are as follows: a = 7.9996(6) A, b = 8.8259(8) A, c = 11.3220(7) A, {beta} = 105.394(2){sup o}, and V = 770.7(1) A{sup 3}; space group P2{sub 1}/n, Z = 2, and R{sub 1} = 0.0271. [(UO{sub 2}){sub 2}(C{sub 2}O{sub 4}){sub 3}]{sup 2-} layers belonging to the AK{sub 0.5}{sup 02}T{sup 11} crystal chemical group of uranyl complexes (A = UO{sub 2}{sup 2+}, K{sup 02} = C{sub 2}O{sub 4}{sup 2-}, and T{supmore » 11} = C{sub 2}O{sub 4}{sup 2-}) are uranium-containing structural units of the crystals. The layers are connected with outer-sphere rubidium cations by electrostatic interactions.« less

Comparison of the growth kinetics of In{sub 2}O{sub 3} and Ga{sub 2}O{sub 3} and their suboxide desorption during plasma-assisted molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vogt, Patrick, E-mail: vogt@pdi-berlin.de; Bierwagen, Oliver, E-mail: bierwagen@pdi-berlin.de

2016-08-08

We present a comprehensive study of the In{sub 2}O{sub 3} growth kinetics during plasma-assisted molecular beam epitaxy and compare it to that of the related oxide Ga{sub 2}O{sub 3} [P. Vogt and O. Bierwagen, Appl. Phys. Lett. 108, 072101 (2016)]. The growth rate and desorbing fluxes were measured during growth in-situ by a laser reflectometry set-up and line-of-sight quadrupole mass spectrometer, respectively. We extracted the In incorporation as a function of the provided In flux, different growth temperatures T{sub G}, and In-to-O flux ratios r. The data are discussed in terms of the competing formation of In{sub 2}O{sub 3} andmore » desorption of the suboxide In{sub 2}O and O. The same three growth regimes as in the case of Ga{sub 2}O{sub 3} can be distinguished: (i) In-transport limited, O-rich (ii) In{sub 2}O-desorption limited, O-rich, and (iii) O-transport limited, In-rich. In regime (iii), In droplets are formed on the growth surface at low T{sub G}. The growth kinetics follows qualitatively that of Ga{sub 2}O{sub 3} in agreement with their common oxide and suboxide stoichiometry. The quantitative differences are mainly rationalized by the difference in In{sub 2}O and Ga{sub 2}O desorption rates and vapor pressures. For the In{sub 2}O, Ga{sub 2}O, and O desorption, we extracted the activation energies and frequency factors by means of Arrhenius-plots.« less

Luminescence properties of phosphate phosphor Ba{sub 3}Y(PO{sub 4}){sub 3}:Sm{sup 3+}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Fu; Liu, Yufeng, E-mail: liuyufeng4@126.com; Tian, Xiaodong

2015-05-15

A series of reddish orange-emitting phosphate phosphors Ba{sub 3}Y{sub 1−x}(PO{sub 4}){sub 3}:xSm{sup 3+}(0.01≤x≤0.20) were synthesized by solid-state reaction. X-ray diffraction and photoluminescence spectra were utilized to characterize the structure and luminescence properties of as-synthesized phosphors. The optimized phosphors Ba{sub 3}Y{sub 0.95}(PO{sub 4}){sub 3}:0.05Sm{sup 3+} present several excitation bands from 300 to 500 nm, and exhibit intense reddish orange-emitting properties. The energy transfer type between Sm{sup 3+} ions was confirmed as d–d interaction by using Van Uitert model. The chromatic properties of the typical sample Ba{sub 3}Y(PO{sub 4}){sub 3}:0.05Sm{sup 3+} phosphor have been found to have chromaticity coordinates of (0.583, 0.405),more » which are located in reddish orange region under the excitation of 401 nm. These results indicated that Ba{sub 3}Y(PO{sub 4}){sub 3}:Sm{sup 3+} phosphors have potential applications in the field of lighting and display due to their effective excitation in the near-ultraviolet range. - Graphical abstract: The color coordinates for 5 mol% Sm{sup 3+} doped Ba{sub 3}Y(PO{sub 4}){sub 3} phosphor were calculated to be (0.583, 0.405), which are located in reddish orange region under the excitation of 401 nm. The peaks of Ba{sub 3}Y{sub 0.95}(PO{sub 4}){sub 3}:0.05Sm{sup 3+} phosphor with the highest emission intensity at 600 nm are broader than those of Y{sub 2}O{sub 3}:Eu{sup 3+} and Y{sub 2}O{sub 2}S:Eu{sup 3+} phosphors. All these characteristics suggest that Ba{sub 3}Y(PO{sub 4}){sub 3}:Sm{sup 3+} phosphors are suitable for near-UV (370–410 nm) excitation and can be applicable to near UV-based WLEDs. ▪ - Highlights: • Different concentration Sm{sup 3+}-doped Ba{sub 3}Y(PO{sub 4}){sub 3} phosphors were fabricated by solid state method. • The optimized phosphors present the several excitation bands from 300 to 500 nm. • The Ba{sub 3}Y(PO{sub 4}){sub 3}:Sm{sup 3+} shows bright reddish

Wheat grain quality under enhanced tropospheric CO{sub 2} and O{sub 3} concentrations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rudorff, B.F.T.; Mulchi, C.L.; Fenny, P.

It is expected that the progressive increase of tropospheric trace gases such as CO{sub 2} and O{sub 3} will have a significant impact on agricultural production. The single and combined effects of CO{sub 2} enrichment and tropospheric O{sub 3} on grain quality characteristics in soft red winter wheat (Triticum aestivum L.) were examined in field studies using 3 m in diam. open-top chambers. Wheat cultivars {open_quotes}Massey{close_quotes} (1991) and {open_quotes}Saluda{close_quotes} (1992) were exposed to two CO{sub 2} concentrations (350 vs. 500 {mu}mol CO{sub 2} mol{sup {minus}1}; 12 h d{sup {minus}1}) in combination with two O{sub 3} regimes (charcoal-filtered air vs. ambientmore » air + 40 {plus_minus} 20 nmol O{sub 3} mol{sup {minus}1}, 7 h d{sup {minus}1}; Monday to Friday) from late March until maturity in June. Grain quality characteristics investigated included: test weight, milling and baking quality, flour yield, protein content, softness equivalent, alkaline water retention capacity, and cookie diameter. In general, exposure of plants to either elevated CO{sub 2} or weekly chronic O{sub 3} episodes caused only small changes in grain quality. Milling and baking quality score were not significantly changed in response to treatments in both years. Flour yield was increased by elevated CO{sub 2} but this increase was counteracted when elevated CO{sub 2} was combined with chronic O{sub 3} exposure. Flour protein contents were increased by enhanced O{sub 3} under elevated CO{sub 2}. Although the single effect of either CO{sub 2} enrichment or chronic O{sub 3} exposure had some impact o grain quality characteristics, it was noted that the combined effect of these gases was minor. It is likely that the concomitant increase of CO{sub 2} and O{sub 3} in the troposphere will have no significant impact on wheat grain quality. 25 refs., 1 fig., 2 tabs.« less

Hydrothermal synthesis and structural analysis of new mixed oxyanion borates: Ba{sub 11}B{sub 26}O{sub 44}(PO{sub 4}){sub 2}(OH){sub 6}, Li{sub 9}BaB{sub 15}O{sub 27}(CO{sub 3}) and Ba{sub 3}Si{sub 2}B{sub 6}O{sub 16}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heyward, Carla, E-mail: cheywar@clemson.edu; McMillen, Colin D., E-mail: cmcmill@clemson.edu; Kolis, Joseph, E-mail: kjoseph@clemson.edu

2013-07-15

Several new borate compounds, Ba{sub 11}B{sub 26}O{sub 44}(PO{sub 4}){sub 2}(OH){sub 6} (1), Li{sub 9}BaB{sub 15}O{sub 27}(CO{sub 3}) (2), and Ba{sub 3}Si{sub 2}B{sub 6}O{sub 16} (3) were synthesized containing other hetero-oxyanion building blocks in addition to the borate frameworks. They were all prepared under hydrothermal conditions and characterized by single crystal and powder X-ray diffraction, and IR spectroscopy. Crystal data: For 1; space group P2{sub 1}/c, a=6.8909 (14) Å, b=13.629 (3) Å, c=25.851 (5) Å, β=90.04 (3)°; For 2; space group P-31c, a=8.8599 (13) Å, c=15.148 (3) Å; For 3; space group P-1, a=5.0414 (10) Å, b=7.5602 (15) Å, c=8.5374 (17)more » Å, α=77.15 (3)°, β=77.84 (3)°, γ=87.41 (3)° for 3. Compounds 1 and 2 contain isolated oxyanions [PO{sub 4}]{sup 3−} and [CO{sub 3}]{sup 2−} respectively, sitting in channels created by the borate framework, while structure 3 has the [SiO{sub 4}]{sup 4−} groups directly bonded to the borate groups creating a B–O–Si framework. - Highlights: • Hydrothermal syntheses of three new mixed oxyanion borates are presented. • Ba{sub 11}B{sub 26}O{sub 44}(PO{sub 4}){sub 2}(OH){sub 6} contains isolated [PO{sub 4}]{sup 3−} in voids of the borate framework. • Li{sub 9}BaB{sub 15}O{sub 27}(CO{sub 3}) contains isolated [CO{sub 3}]{sup 2−} in channels created by the framework. • Ba{sub 3}Si{sub 2}B{sub 6}O{sub 16} has direct bonding of [SiO{sub 4}]{sup 4−} and borates creating a B–O–Si framework.« less

Decomposition of hardwood leaves grown under elevated O[sub 3] and/or CO[sub 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boerner, R.E.J.; Rebbeck, J.

1993-06-01

We measured mass loss and N release from leaves of three hardwoods which varied in O[sub 3] sensitivity: O[sub 3]-tolerant sugar maple (Acer saccharum/SM), black cherry (Prunus serotina/BC), and putatively O[sub 3]-sensitive yellow poplar (Liriodendron tulipifera/YP), grown in pots in charcoal-filtered air (CF), ambient O[sub 3], or twice ambient O[sub 3] (2X) in open top chambers. Mass loss was not affected by the O[sub 3] regime in which the leaves were grown. k values averaged SM:-0.707, BC:-0.613, and YP:-0.859. N loss from ambient O[sub 3]-grown SM was significantly greater than from CF; N loss from BC did not differ amongmore » treatments. Significantly less N was released from CF-grown YP leaves than from O[sup 3]-treated leaves. YP leaves from plants grown in pots at 2X O[sub 3] and 350 ppm supplemental CO[sub 2] in CSTRs loss 40% as much mass and 27% as much N over one year as did leaves from YP grown in CF or 2X O[sub 3]. Thus, for leaves from plants grown in pots in fumigation chambers, the concentrations of both O[sub 3] and CO[sub 2] can affect N release from litter incubated in the field whereas mass loss rate was affected only by CO[sub 2].« less

Influence of Yb{sub 2}O{sub 3} on electrical and microstructural characteristics of CaCu{sub 3}Ti{sub 4}O{sub 12} ceramics

DOE Office of Scientific and Technical Information (OSTI.GOV)

He, Kai; State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054; Luo, Yun

2015-09-15

Graphical abstract: Some Yb atoms entered in the lattice of CCTO substituted the Ca sites, the rest of Yb atoms concentrated at grain boundaries decreased the grain size. The dielectric constant was decreased by Yb doping. The dielectric loss of the CCTO could be greatly reduced at low frequency. - Highlights: • Yb atoms may take the place of Ca sites and concentrate at grain boundaries. • Tiny second phase corresponding to Yb may decrease the grain size. • Decrease of the grain size leads to the decrease of dielectric constant. • Yb doping could decrease the dielectric loss ofmore » CCTO. - Abstract: This paper focuses on the remarkable effects of Yb{sub 2}O{sub 3} doping on the microstructure and dielectric characteristics of CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO). Samples were prepared by the solid phase reaction method and sintered in air at 1030 °C for 12 h. X-ray diffraction and X-ray photoelectron spectroscopy studies confirm that the primary phase is CCTO. Some Yb{sup 3+} ions may substitute into the Ca site at the center or zenith sites of the CCTO lattice hexahedron, while the rest of the Yb atoms may concentrate at grain boundaries. The grain size of Yb{sub 2}O{sub 3}-doped CCTO ceramics were examined by scanning electron microscopy and demonstrate sharp grain size reduction with Yb{sub 2}O{sub 3} doping. From dielectric property measurements, the Yb{sub 2}O{sub 3} doping reduces the dielectric constant of CCTO, and the dielectric loss is also reduced.« less

Solid state reaction synthesis and photoluminescence properties of Dy{sup 3+} doped Ca{sub 3}Sc{sub 2}Si{sub 3}O{sub 12} phosphor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Long, Qiang; Wang, Chuang; Li, Yanyan

2015-11-15

Highlights: • Ca{sub 3−x}Sc{sub 2}Si{sub 3}O{sub 12}:xDy{sup 3+} (0.01 ≤ x ≤ 0.03) was successfully synthesized under a reducing atmosphere. • The thermal stability of the Ca{sub 2.975}Sc{sub 2}Si{sub 3}O{sub 12}:0.025Dy{sup 3+} is superior to commercial phosphors in theory and experiment. • The optimal chromaticity coordinates of Ca{sub 3}Sc{sub 2}Si{sub 3}O{sub 12}:Dy{sup 3+} is (x = 0.3425, y = 0.3343) upon 350 nm excitation. - Abstract: The white emission phosphor Ca{sub 3}Sc{sub 2}Si{sub 3}O{sub 12}:Dy{sup 3+} was synthesized by the solid-state reaction. Phase analysis and characteristic luminescence properties are investigated by X-ray diffraction and photoluminescence spectra measurement. Ca{sub 3}Sc{sub 2}Si{submore » 3}O{sub 12}:Dy{sup 3+} phosphor shows strong absorption in 350–410 nm region and exhibits white emission with CIE chromaticity coordinates of (0.3425, 0.3343). Its emission intensity at 250 °C remained 74% of that measured at room temperature. Moreover, the activation energy is also calculated through the Arrhenius equation. The result shows that the thermostability of Ca{sub 3}Sc{sub 2}Si{sub 3}O{sub 12}:Dy{sup 3+} is superior than that of commercial phosphor Ca{sub 3}Sc{sub 2}Si{sub 3}O{sub 12}:Ce{sup 3+}. The outstanding luminescent properties indicate that Ca{sub 3}Sc{sub 2}Si{sub 3}O{sub 12}:Dy{sup 3+} could be a potential white light emission phosphor.« less

Preparation and thermal stability of the spindle α-Fe{sub 2}O{sub 3}@SiO{sub 2} core–shell nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Xin; Niu, Yongan; Li, Yang

2014-03-15

The spindle α-Fe{sub 2}O{sub 3}@SiO{sub 2} core–shell nanoparticles (NPs) are prepared via hydrothermal synthesis and modified Stöber method. During these processes, shell thicknesses could be easily adjusted by the amount of tetraethylorthosilicate (TEOS), and the formation of core-free SiO{sub 2} could be effectively avoided. The structures and compositions of α-Fe{sub 2}O{sub 3}@SiO{sub 2} NPs are investigated by transmission electron microscope (TEM), X-ray powder diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and ultraviolet–visible (UV–vis) absorption spectroscopy. These results reveal that the α-Fe{sub 2}O{sub 3}@SiO{sub 2} NPs with certain sizes are monodisperse and homogeneous. To estimate the thermal stability, the α-Fe{sub 2}O{submore » 3}, α-Fe{sub 2}O{sub 3}@SiO{sub 2} and SiO{sub 2} NPs are annealed at 600, 800 and 1000 °C for 1 h under air atmosphere, respectively. Furthermore, the stabilities of these NPs are confirmed by thermal analysis methods. The structure and shape stabilities of these as-prepared α-Fe{sub 2}O{sub 3}@SiO{sub 2} NPs are investigated by XRD and scanning electron microscope (SEM). -- Graphical abstract: Schematic of preparation of the monodisperse spindle α-Fe{sub 2}O{sub 3}@SiO{sub 2} nanoparticles (NPs). Highlights: • The spindle α-Fe{sub 2}O{sub 3}@SiO{sub 2} nanoparticles (NPs) are successfully prepared by hydrothermal synthesis and modified Stöber method. • Optical properties are estimated and calculated by UV vis absorption spectrum. • Thermal stability of the α-Fe{sub 2}O{sub 3}, α-Fe{sub 2}O{sub 3}@SiO{sub 2} and SiO{sub 2} NPs are compared and analyzed by the SEM technique. • The structural changes of α-Fe{sub 2}O{sub 3}@SiO{sub 2} NPs are measured by XRD measurement.« less

Design and syntheses of hybrid metal–organic materials based on K{sub 3}[M(C{sub 2}O{sub 4}){sub 3}]·3H{sub 2}O [M(III)=Fe, Al, Cr] metallotectons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Yayong; Zong, Yingxia; Ma, Haoran

2016-05-15

By using K{sub 3}[M(C{sub 2}O{sub 4}){sub 3}]·3H{sub 2}O [M(III)=Fe, Al, Cr] (C{sub 2}O{sub 4}{sup 2−}=oxalate) metallotectons as the starting material, we have synthesized eight novel complexes with formulas [{Fe(C_2O_4)_2(H_2O)_2}{sub 2}]·(H–L{sub 1}){sub 2}·H{sub 2}O 1, [Fe(C{sub 2}O{sub 4})Cl{sub 2}]·(H{sub 2}–L{sub 2}){sub 0.5}·(L{sub 2}){sub 0.5}·H{sub 2}O 2, [{Fe(C_2O_4)_1_._5Cl_2}{sub 2}]·(H–L{sub 3}){sub 4}3, [Fe{sub 2}(C{sub 2}O{sub 4})Cl{sub 8}]·(H{sub 2}–L{sub 4}){sub 2}·2H{sub 2}O 4, K[Al(C{sub 2}O{sub 4}){sub 3}]·(H{sub 2}–L{sub 5})·2H{sub 2}O 5, K[Al(C{sub 2}O{sub 4}){sub 3}]·(H–L{sub 6}){sub 2}·2H{sub 2}O 6, K[Cr(C{sub 2}O{sub 4}){sub 3}]·2H{sub 2}O 7, Na[Fe(C{sub 2}O{sub 4}){sub 3}]·(H–L{sub 6}){sub 2}·2H{sub 2}O 8 (with L{sub 1}=4-dimethylaminopyridine, L{sub 2}=2,3,5,6-tetramethylpyrazine, L{sub 3}=2-aminobenzimidazole, L{sub 4}=1,4-bis-(1H-imidazol-1-yl)benzene, L{sub 5}=1,4-bis((2-methylimidazol-1-yl)methyl)benzene,more » L{sub 6}=2-methylbenzimidazole). Their structures have been determined by single-crystal X-ray diffraction analyses, elemental analyses, IR spectra and thermogravimetric analyses. Compound 3 is a 2D H-bonded supramolecular architecture. Others are 3D supramolecular structures. Compound 1 shows a [Fe(C{sub 2}O{sub 4}){sub 2}(H{sub 2}O){sub 2}]{sup −} unit and 3D antionic H-bonded framework. Compound 2 features a [Fe(C{sub 2}O{sub 4})Cl{sub 2}]{sup -} anion and 1D iron-oxalate-iron chain. Compound 3 features a [Fe{sub 2}(C{sub 2}O{sub 4}){sub 3}Cl{sub 4}]{sup 4−} unit. Compound 4 features distinct [Fe{sub 2}(C{sub 2}O{sub 4})Cl{sub 8}]{sup 4−} units, which are mutual linked by water molecules to generated a 2D H-bonded network. Compound 5 features infinite ladder-like chains constructed by [Al(C{sub 2}O{sub 4}){sub 3}]{sup 3−} units and K{sup +} cations. The 1D chains are further extended into 3D antionic H-bonded framework through O–H···O H-bonds. Compounds 6–8 show 2D [KAl(C{sub

High-pressure behaviour of Cs{sub 2}V{sub 3}O{sub 8} fresnoite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grzechnik, Andrzej, E-mail: grzechnik@xtal.rwth-aachen.de; Yeon, Jeongho; Zur Loye, Hans-Conrad

2016-06-15

Crystal structure of Cs{sub 2}V{sub 3}O{sub 8} fresnoite (P4bm, Z=2) has been studied using single-crystal X-ray diffraction in a diamond anvil cell to 8.6 GPa at room temperature. Cs{sub 2}V{sub 3}O{sub 8} undergoes a reversible first-order phase transition at about 4 GPa associated with anomalies in the pressure dependencies of the lattice parameters and unit-cell volume but without any symmetry change. Both structures consist of layers of corner-sharing V{sup 5+}O{sub 4} tetrahedra and V{sup 4+}O{sub 5} tetragonal pyramids separated by the Cs{sup +} cations located between the layers. At low pressures, the compression has little effect on the polarity ofmore » the structure. Above 4 GPa, the pseudosymmetry with respect to the corresponding centrosymmetric space group P4/mbm abruptly increases. The effects of external pressure and of the A{sup +} cation substitution in the vanadate fresnoites A{sub 2}V{sub 3}O{sub 8} (A{sup +}: K{sup +}, Rb{sup +}, NH{sub 4}{sup +}, Cs{sup +}) are discussed. - Graphical abstract: Non-centrosymmetric Cs{sub 2}V{sub 3}O{sub 8} undergoes a reversible first-order phase transition at about 4 GPa associated with an abrupt change of the pseudosymmetry with respect to the centrosymmetric space group P4/mbm. Display Omitted - Highlights: • High-pressure behaviour of vanadate fresnoites depends on alkali metal cations. • The size of the alkali metal cation determines whether the high-pressure phase is centrosymmetric. • No incommensurate structures are observed upon compression.« less

Piezo-/dielectric properties of perovskite-structure high-temperature relaxor ferroelectrics: The Pb(Lu{sub 1/2}Nb{sub 1/2})O{sub 3}–Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} ternary ceramics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Tao; University of Chinese Academy of Sciences, Beijing 100049; Long, Xifa, E-mail: lxf@fjirsm.ac.cn

2014-03-01

Graphical abstract: - Highlights: • Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}-based ternary ferroelectric ceramics were prepared by solid-state synthesis method. • Morphotropic phase boundary region has been determined by XRD, di-/piezoelectric properties. • The compositions near MPB region exhibit excellent piezoelectric properties. - Abstract: A new compositional system of relaxor ferroelectrics was investigated based on the high piezoelectricity Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} ferroelectric perovskite family. Compositions were fabricated near an estimated morphotropic phase boundary (MPB) of the Pb(Lu{sub 1/2}Nb{sub 1/2})O{sub 3}–Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} (PLZNT) ternary system by a two-step synthetic process. Their structures have been analyzed by means ofmore » X-ray diffraction technique. On the basis of X-ray powder diffraction, the morphotropic phase boundary (MPB) region for the ternary system was obtained. The Curie temperature T{sub C} of ternary system varied from 240 °C to 330 °C and the coercive fields E{sub c}s > 10 kV/cm. The values of piezoelectric coefficients d{sub 33} vary in the range of 260–450 pC/N with different PZN contents. It is worth noting that the optimum compositions were located at MPB region but near the tetragonal phase. The new PLZNT ceramics exhibit wider range of T{sub C}s and E{sub c}s, making it a promising material for high-powder ultrasound transducers using in a large temperature range.« less

Preparation of grape-like Bi{sub 2}O{sub 3}/Ti photoanode and its visible light activity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Guoting; Department of Biology, The Chinese University of Hong Kong, Shatin, N.T., Hong Kong SAR; Yip, H.Y.

2011-02-15

Graphical abstract: Compact and grape-like bismuth oxide (Bi{sub 2}O{sub 3}) coated titania (Ti) anode was prepared by oxalic acid (H{sub 2}C{sub 2}O{sub 4}) etching, electrodeposition and calcination in order to explore its photoelectrocatalytic activities. The Bi{sub 2}O{sub 3} coating was demonstrated to be full of pores, and a good combination between Bi{sub 2}O{sub 3} layer and honeycomb-like Ti substrate was observed by scanning electron microscopy. A synergy was found between electrolysis and photocatalysis using the prepared Bi{sub 2}O{sub 3}/Ti anode for photoelectrocatalytic oxidation of azo dye Acid Orange 7 under visible light irradiation (420 nm). Research highlights: {yields} Bi{sub 2}O{submore » 3}/Ti anode was prepared by H{sub 2}C{sub 2}O{sub 4} etching, electrodeposition and calcination. {yields} A compact and grape-like Bi{sub 2}O{sub 3} coated Ti anode was obtained. {yields} Bi{sub 2}O{sub 3} coating was full of pores, and have a good combination with Ti substrate. {yields} A synergy was observed in photoelectrocatalytic oxidation under visible light. -- Abstract: Compact and grape-like bismuth oxide (Bi{sub 2}O{sub 3}) coated titania (Ti) anode was prepared by oxalic acid (H{sub 2}C{sub 2}O{sub 4}) etching, electrodeposition and calcination in order to explore its photoelectrocatalytic activities. The Bi{sub 2}O{sub 3} coating was demonstrated to be full of pores, and a good combination between Bi{sub 2}O{sub 3} layer and honeycomb-like Ti substrate was observed by scanning electron microscopy. The characteristic morphology of Bi{sub 2}O{sub 3} coating indicated that the electrode is stable during degradation. The Bi{sub 2}O{sub 3}/Ti electrode was used in oxidative degradation of Acid Orange 7 by electrolysis, photocatalytic oxidation and photoelectrocatalytic oxidation processes. The pseudo-first order kinetics parameter (K{sub app}) of photoelectrocatalytic process was 1.15 times of the sum of electrolysis and photocatalytic oxidation

Dielectric relaxation in 0-3 PVDF-Ba(Fe{sub 1/2}Nb{sub 1/2})O{sub 3} composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chandra, K. P., E-mail: kpchandra23@gmail.com; Singh, Rajan; Kulkarni, A. R., E-mail: ajit2957@gmail.com

2016-05-06

(1-x)PVDF-xBa(Fe{sub 1/2}Nb{sub 1/2})O{sub 3} ceramic-polymer composites with x = 0.025, 0.05, 0.10, 0.15 were prepared using melt-mixing technique. The crystal symmetry, space group and unit cell dimensions were determined from the XRD data of Ba(Fe{sub 1/2}Nb{sub 1/2})O{sub 3} using FullProf software, whereas crystallite size and lattice strain were estimated using Williamson-Hall approach. The distribution of Ba(Fe{sub 1/2}Nb{sub 1/2})O{sub 3} particles in the PVDF matrix were examined on the cryo-fractured surfaces using a scanning electron microscope. Cole-Cole and pseudo Cole-Cole analysis suggested the dielectric relaxation in this system to be of non-Debye type. Filler concentration dependent real and imaginary parts ofmore » dielectric constant as well as ac conductivity data followed definite trends of exponential growth types of variation.« less

Synthesis, structure, and characterization of two new bismuth(III) selenite/tellurite nitrates: [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3})

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meng, Chang-Yu; Wei, Ming-Fang; Geng, Lei, E-mail: lgeng.cn@gmail.com

Two new bismuth(III) selenite/tellurite nitrates, [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3}), have been synthesized by conventional facile hydrothermal method at middle temperature 200 °C and characterized by single-crystal X-ray diffraction, powder diffraction, UV–vis–NIR optical absorption spectrum, infrared spectrum and thermal analylsis. Both [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO3)](NO3) crystallize in the monoclinic centronsymmetric space group P2{sub 1}/c with a=9.9403(4) Å, b=9.6857(4) Å, c=10.6864(5) Å, β=93.1150(10)° for [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and a=8.1489(3) Å, b=9.0663(4) Å, c=7.4729(3) Å, β=114.899(2)° for Bi(TeO3)(NO3), respectively. The two compounds, whose structures are composed of three different asymmetricmore » building units, exhibit two different types of structures. The structure of [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) features a three-dimensional (3D) bismuth(III) selenite cationic tunnel structure [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}] {sup 3}{sub ∞} with NO{sub 3}{sup −} anion group filling in the 1D tunnel along b axis. The structure of [Bi(TeO{sub 3})](NO{sub 3}) features 2D bismuth(III) tellurite [Bi(TeO{sub 3}){sub 2}]{sup 2}{sub ∞} layers separated by NO{sub 3}{sup −} anion groups. The results of optical diffuse-reflectance spectrum measurements and electronic structure calculations based on density functional theory methods show that the two compounds are wide band-gap semiconductors. - Graphical abstract: Two novel bismuth{sup III} selenite/tellurite nitrates [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) with 3D tunnel structure and [Bi(TeO{sub 3})](NO{sub 3}) with 2D layer structure have been firstly synthesized and characterized. Display Omitted - Highlights: • Two novel bismuth{sup III} nitrates [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3}) were

Influence of P{sub 2}O{sub 5} and Al{sub 2}O{sub 3} content on the structure of erbium-doped borosilicate glasses and on their physical, thermal, optical and luminescence properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bourhis, Kevin, E-mail: k.bourhis@argolight.com; Massera, Jonathan; Petit, Laeticia

2015-03-15

Highlights: • Reorganization of the glass structure induced by the addition of P{sub 2}O{sub 5} or Al{sub 2}O{sub 3}. • Emission properties related to the presence of P or Al in the Er{sup 3+} coordination shell. • Declustering observed upon addition of P{sub 2}O{sub 5}. • No declustering upon addition of Al{sub 2}O{sub 3}. - Abstract: The effect of P{sub 2}O{sub 5} and/or Al{sub 2}O{sub 3} addition in Er-doped borosilicate glasses on the physical, thermal, optical, and luminescence properties is investigated. The changes in these glass properties are related to the glass structure modifications induced by the addition of P{submore » 2}O{sub 5} and/or Al{sub 2}O{sub 3}, which were probed by FTIR, {sup 11}B MAS NMR and X-ray photoelectron spectroscopies. Variations of the polymerization degree of the silicate tetrahedra and modifications in the {sup [3]}B/{sup [4]}B ratio are explained by a charge compensation mechanism due to the formation of AlO{sub 4}, PO{sub 4} groups and the formation of Al-O-P linkages in the glass network. From the absorption and luminescence properties of the Er{sup 3+} ions at 980 nm and 1530 nm, declustering is suspected for the highest P{sub 2}O{sub 5} concentrations while for the highest Al{sub 2}O{sub 3} concentrations no declustering is observed.« less

Formation of homologous In{sub 2}O{sub 3}(ZnO){sub m} thin films and its thermoelectric properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jia, Junjun; Nakamura, Shin-ichi; Shigesato, Yuzo, E-mail: yuzo@chem.aoyama.ac.jp

Homologous In{sub 2}O{sub 3}(ZnO){sub 5} thin films were produced on a synthetic quartz glass substrate by thermal annealing of magnetron sputtered In{sub 2}O{sub 3}-ZnO compound films. When the annealing temperature was increased to 700 °C, the sputtered In{sub 2}O{sub 3}-ZnO film with In{sub 2}O{sub 3} microcrystalline changed to a c-oriented homologous In{sub 2}O{sub 3}(ZnO){sub 5} structure, for which the crystallization is suggested to begin from the surface and proceed along with the film thickness. The annealing temperature of 700 °C to form the In{sub 2}O{sub 3}(ZnO){sub 5} structure was substantially lower than temperatures of conventional solid state synthesis from In{sub 2}O{sub 3}more » and ZnO powders, which is attributed to the rapid diffusional transport of In and Zn due to the mixing of In{sub 2}O{sub 3} and ZnO in the atomic level for sputtered In{sub 2}O{sub 3}-ZnO compound films. The homologous structure collapsed at temperatures above 900 °C, which is attributed to (1) zinc vaporization from the surface and (2) a gradual increase of zinc silicate phase at the interface. This c-oriented layer structure of homologous In{sub 2}O{sub 3}(ZnO){sub 5} thin films along the film thickness allowed the thin film to reach a power factor of 1.3 × 10{sup −4} W/m K{sup 2} at 670 °C, which is comparable with the reported maximum value for the textured In{sub 2}O{sub 3}(ZnO){sub 5} powder (about 1.6 × 10{sup −4} W/m K{sup 2} at 650 °C).« less

Play the heavy: An effective mass study for α-Fe{sub 2}O{sub 3} and corundum oxides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neufeld, Ofer; Caspary Toroker, Maytal, E-mail: maytalc@tx.technion.ac.il

2016-04-28

Iron(III) oxide (α-Fe{sub 2}O{sub 3}) is a known water splitting catalyst commonly used in photoelectrochemical cells. These cells are severely impaired by poor conductivity in α-Fe{sub 2}O{sub 3}, and resolving the conductivity issue is therefore crucial. One of the most intrinsic properties of matter, which governs conductivity, is the carrier effective masses. In this work, we investigate the carrier effective masses in α-Fe{sub 2}O{sub 3} and other corundum oxides, including Al{sub 2}O{sub 3}, Cr{sub 2}O{sub 3}, Ga{sub 2}O{sub 3}, and In{sub 2}O{sub 3} with different theoretical constructs: density functional theory (DFT), DFT+U, hybrid DFT, and G{sub 0}W{sub 0}. We findmore » DFT sufficiently describes the carrier masses and a quasi-particle theory is only required for accuracies better than 30% for the conduction band effective mass. Additionally, we compare the density of states (DOS) and band effective mass approximations and conclude the DOS effective mass provides poor results whenever the band structure is anisotropic. We find that the charge carriers in Fe{sub 2}O{sub 3} “play the heavy” since they have large effective masses that reduce conductivity and device efficiency. Finally, we conclude that the less heavy electron effective masses of other corundum oxides studied relative to Fe{sub 2}O{sub 3} could contribute to efficiency improvements in Fe{sub 2}O{sub 3} upon Al{sub 2}O{sub 3}, Ga{sub 2}O{sub 3}, and In{sub 2}O{sub 3} coverage.« less

Synthesis, structure and electrical properties of Cu{sub 3.21}Ti{sub 1.16}Nb{sub 2.63}O{sub 12} and the CuO{sub x}-TiO{sub 2}-Nb{sub 2}O{sub 5} pseudoternary phase diagram

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reeves-McLaren, Nik, E-mail: n.reeves@sheffield.ac.uk; Ferrarelli, Matthew C.; Tung, Yuan-Wei

2011-07-15

Subsolidus phase relations in the CuO{sub x}-TiO{sub 2}-Nb{sub 2}O{sub 5} system were determined at 935 deg. C. The phase diagram contains one new phase, Cu{sub 3.21}Ti{sub 1.16}Nb{sub 2.63}O{sub 12} (CTNO) and one rutile-structured solid solution series, Ti{sub 1-3x}Cu{sub x}Nb{sub 2x}O{sub 2}: 0sub 3}Ti{sub 4}O{sub 12} (CCTO) with square planar Cu{sup 2+} but with A site vacancies and a disordered mixture of Cu{sup +}, Ti{sup 4+} and Nb{sup 5+} on the octahedral sites. It is a modest semiconductor with relative permittivity {approx}63 and displays non-Arrhenius conductivity behavior that ismore » essentially temperature-independent at the lowest temperatures. - Graphical abstract: The CuO{sub x}-TiO{sub 2}-Nb{sub 2}O{sub 5} phase diagram was determined at 935 deg. C and contains one new phase, Cu{sub 3.21}Ti{sub 1.16}Nb{sub 2.63}O{sub 12}, pictured, a modest semiconductor with {epsilon}{sub r}{approx}63, and one rutile-structured solid solution series, Ti{sub 1-3x}Cu{sub x}Nb{sub 2x}O{sub 2}. Highlights: > Subsolidus phase relations in the CuO{sub x}-TiO{sub 2}-Nb{sub 2}O{sub 5} system were determined at 935 deg. C. > A new phase, Cu{sub 3.21}Ti{sub 1.16}Nb{sub 2.63}O{sub 12} (CTNO), was found with a CaCu{sub 3}Ti{sub 4}O{sub 12}-like crystal structure. > We discovered one rutile-structured solid solution series, Ti{sub 1-3x}Cu{sub x}Nb{sub 2x}O{sub 2}: 0 CTNO has square planar Cu{sup 2+}, A site vacancies and Cu{sup +}, Ti{sup 4+} and Nb{sup 5+} disordered on octahedral sites. > CTNO is a modest semiconductor with relative permittivity {approx}63.« less

Magnetic properties of mixed spinel BaTiO{sub 3}-NiFe{sub 2}O{sub 4} composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarkar, Babusona; Dalal, Biswajit; Dev Ashok, Vishal

2014-03-28

Solid solution of nickel ferrite (NiFe{sub 2}O{sub 4}) and barium titanate (BaTiO{sub 3}), (100-x)BaTiO{sub 3}–(x) NiFe{sub 2}O{sub 4} has been prepared by solid state reaction. Compressive strain is developed in NiFe{sub 2}O{sub 4} due to mutual structural interaction across the interface of NiFe{sub 2}O{sub 4} and BaTiO{sub 3} phases. Quantitative analysis of X-ray diffraction and X-ray photo electron spectrum suggest mixed spinel structure of NiFe{sub 2}O{sub 4}. A systematic study of composition dependence of composite indicates BaTiO{sub 3} causes a random distribution of Fe and Ni cations among octahedral and tetrahedral sites during non-equilibrium growth of NiFe{sub 2}O{sub 4}. Themore » degree of inversion decreases monotonically from 0.97 to 0.75 with increase of BaTiO{sub 3} content. Temperature dependence of magnetization has been analyzed by four sublattice model to describe complex magnetic exchange interactions in mixed spinel phase. Curie temperature and saturation magnetization decrease with increase of BaTiO{sub 3} concentration. Enhancement of strain and larger occupancy of Ni{sup 2+} at tetrahedral site increase coercivity up to 200 Oe. Magnetostructual coupling induced by BaTiO{sub 3} improves coercivity in NiFe{sub 2}O{sub 4}. An increase in the demagnetization and homogeneity in magnetization process in NiFe{sub 2}O{sub 4} is observed due to the interaction with diamagnetic BaTiO{sub 3}.« less

Bifunction in Er{sup 3+}/Yb{sup 3+} co-doped BaTi{sub 2}O{sub 5}–Gd{sub 2}O{sub 3} glasses prepared by aerodynamic levitation method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Minghui; University of Chinese Academy of Sciences, Beijing 100039; Yu, Jianding

2013-11-15

Graphical abstract: - Highlights: • Novel BaTi{sub 2}O{sub 5}–Gd{sub 2}O{sub 3} based glasses have been prepared by aerodynamic levitation. • The obtained glasses show high thermal stability with T{sub g} = 763.3 °C. • Er{sup 3+}/Yb{sup 3+} co-doped glasses show strong upconversion based on a two-photon process. • Red emission is stronger than green emissions for EBT by high Yb{sup 3+} concentration. • Magnetic ions are paramagnetic and the distribution is homogeneous in the glasses. - Abstract: Novel Er{sup 3+}/Yb{sup 3+} co-doped BaTi{sub 2}O{sub 5}–Gd{sub 2}O{sub 3} spherical glasses have been fabricated by aerodynamic levitation method. The thermal stability, upconversionmore » luminescence, and magnetic properties of the present glass have been studied. The glasses show high thermal stability with 763.3 °C of the onset temperature of the glass transition. Red and green emissions centered at 671 nm, 548 nm and 535 nm are obtained at 980 nm excitation. The upconversion is based on a two-photon process by energy transfer, excited-state absorption, and energy back transfer. Yb{sup 3+} ions are more than Er{sup 3+} ions in the glass, resulting in efficient energy back transfer from Er{sup 3+} to Yb{sup 3+}. So the red emission is stronger than the green emissions. Magnetization curves indicate that magnetic rare earth ions are paramagnetic and the distribution is homogeneous and random in the glass matrix. Aerodynamic levitation method is an efficient way to prepare glasses with homogeneous rare earth ions.« less

Sodium citrate-assisted anion exchange strategy for construction of Bi{sub 2}O{sub 2}CO{sub 3}/BiOI photocatalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Peng-Yuan; Xu, Ming; Zhang, Wei-De, E-mail: zhangwd@scut.edu.cn

Highlights: • Heterostructured Bi{sub 2}O{sub 2}CO{sub 3}/BiOI microspheres were prepared via anion exchange. • Sodium citrate-assisted anion exchange for construction of composite photocatalysts. • Bi{sub 2}O{sub 2}CO{sub 3}/BiOI composites show high visible light photocatalytic activity. - Abstract: Bi{sub 2}O{sub 2}CO{sub 3}/BiOI heterojuncted photocatalysts were constructed through a facile partial anion exchange strategy starting from BiOI microspheres and urea with the assistance of sodium citrate. The content of Bi{sub 2}O{sub 2}CO{sub 3} in the catalysts was regulated by modulating the amount of urea as a precursor, which was decomposed to generate CO{sub 3}{sup 2−} in the hydrothermal process. Citrate anion playsmore » a key role in controlling the morphology and composition of the products. The Bi{sub 2}O{sub 2}CO{sub 3}/BiOI catalysts display much higher photocatalytic activity than pure BiOI and Bi{sub 2}O{sub 2}CO{sub 3} towards the degradation of rhodamine B (RhB) and bisphenol A (BPA). The enhancement of photocatalytic activity of the heterojuncted catalysts is attributed to the formation of p–n junction between p-BiOI and n-Bi{sub 2}O{sub 2}CO{sub 3}, which is favorable for retarding the recombination of photoinduced electron-hole pairs. Moreover, the holes are demonstrated to be the main active species for the degradation of RhB and BPA.« less

Oxygen potentials and phase equilibria in the system Ca–Co–O and thermodynamic properties of Ca{sub 3}Co{sub 2}O{sub 6} and Ca{sub 3}Co{sub 4}O{sub 9.163}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jacob, K.T., E-mail: katob@materials.iisc.ernet.in; Gupta, Preeti

2015-01-15

Oxygen potentials established by the equilibrium between three condensed phases, CaO{sub ss}+CoO{sub ss}+Ca{sub 3}Co{sub 2}O{sub 6} and CoO{sub ss}+Ca{sub 3}Co{sub 2}O{sub 6}+Ca{sub 3}Co{sub 3.93+α}O{sub 9.36−δ}, are measured as a function of temperature using solid-state electrochemical cells incorporating yttria-stabilized zirconia as the electrolyte and pure oxygen as the reference electrode. Cation non-stoichiometry and oxygen non-stoichiometry in Ca{sub 3}Co{sub 3.93+α}O{sub 9.36−δ} are determined using different techniques under defined conditions. Decomposition temperatures and thermodynamic properties of Ca{sub 3}Co{sub 2}O{sub 6} and Ca{sub 3}Co{sub 4}O{sub 9.163} are calculated from the results. The standard entropy and enthalpy of formation of Ca{sub 3}Co{sub 2}O{sub 6} atmore » 298.15 K are evaluated. Using thermodynamic data from this study and auxiliary information from the literature, phase diagram for the ternary system Ca–Co–O is computed. Isothermal sections at representative temperatures are displayed to demonstrate the evolution of phase relations with temperature. - Graphical abstract: Isothermal section of the phase diagram of the system Ca–Co–O at 1250 K. - Highlights: • Improved definition of cation and oxygen nonstoichiometry of Ca{sub 3}Co{sub 3.93+α}O{sub 9.36−δ}. • Measurement of Δμ{sub O{sub 2}} associated with two 3-phase fields as a function of temperature. • Use of solid-state electrochemical cells for accurate measurement of Δμ{sub O{sub 2}}. • Decomposition temperatures and thermodynamic properties for ternary oxides. • Characterization of ternary phase diagram of the system Ca–Co–O.« less

Synthesis and structure of heptaaqua(nitrilotris(methylenephosphonato))(dibarium)sodium monohydrate [Na(H{sub 2}O){sub 3}(μ{sup 6}-NH(CH{sub 2}PO{sub 3}){sub 3})(μ-H{sub 2}O){sub 3}Ba{sub 2}(H{sub 2}O)] · H{sub 2}O

DOE Office of Scientific and Technical Information (OSTI.GOV)

Somov, N. V., E-mail: somov@phys.unn.ru; Chausov, F. F., E-mail: xps@ftiudm.ru; Zakirova, R. M., E-mail: ftt@udsu.ru

Crystals of the monohydrate form of heptaaqua(nitrilotris(methylenephosphonato))(dibarium) sodium [Na(H{sub 2}O{sub )3}(µ{sup 6}-NH(CH{sub 2}PO{sub 3}){sub 3})(µ-H{sub 2}O){sub 3}Ba{sub 2}(H{sub 2}O)] · H{sub 2}O are obtained; space group P2{sub 1}/c, Z = 4; a = 13.9117(10) Å, b = 11.54030(10) Å, and c = 24.1784(17) Å, ß = 148.785(18)°. The Na atom is coordinated octahedrally by one oxygen atom of a phosphonate group and five water molecules, including two bridging molecules. Ba atoms occupy two inequivalent crystallographic positions with coordination number eight and nine. The coordination spheres of both Ba atoms include two water molecules. Each ligand is bound to one Namore » atom and five Ba atoms forming three Ba–O–P–O and five Ba–O–P–C–N–C–P–O chelate cycles. In addition to the coordination bonds, molecules, including the solvate water molecule, are involved in hydrogen bonds in the crystal packing.« less

Optical microcavities and enhanced electroluminescence from electroformed Al-Al{sub 2}O{sub 3}-Ag diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hickmott, T. W.

Electroluminescence (EL) and electron emission into vacuum (EM) occur when a non-destructive dielectric breakdown of Al-Al{sub 2}O{sub 3}-Ag diodes, electroforming, results in the development of a filamentary region in which current-voltage (I-V) characteristics exhibit voltage-controlled negative resistance. The temperature dependence of I-V curves, EM, and, particularly, EL of Al-Al{sub 2}O{sub 3}-Ag diodes with anodic Al{sub 2}O{sub 3} thicknesses between 12 nm and 30 nm, has been studied. Two filters, a long-pass (LP) filter with transmission of photons with energies less than 3.0 eV and a short-pass (SP) filter with photon transmission between 3.0 and 4.0 eV, have been used to characterize EL. The voltagemore » threshold for EL with the LP filter, V{sub LP}, is ∼1.5 V. V{sub LP} is nearly independent of Al{sub 2}O{sub 3} thickness and of temperature and is 0.3–0.6 V less than the threshold voltage for EL for the SP filter, V{sub SP}. EL intensity is primarily between 1.8 and 3.0 eV when the bias voltage, V{sub S} ≲ 7 V. EL in the thinnest diodes is enhanced compared to EL in thicker diodes. For increasing V{sub S}, for diodes with the smallest Al{sub 2}O{sub 3} thicknesses, there is a maximum EL intensity, L{sub MX}, at a voltage, V{sub LMX}, followed by a decrease to a plateau. L{sub MX} and EL intensity at 4.0 V in the plateau region depend exponentially on Al{sub 2}O{sub 3} thickness. The ratio of L{sub MX} at 295 K for a diode with 12 nm of Al{sub 2}O{sub 3} to L{sub MX} for a diode with 25 nm of Al{sub 2}O{sub 3} is ∼140. The ratio of EL intensity with the LP filter to EL intensity with the SP filter, LP/SP, varies between ∼3 and ∼35; it depends on Al{sub 2}O{sub 3} thickness and V{sub S}. Enhanced EL is attributed to the increase of the spontaneous emission rate of a dipole in a non-resonant optical microcavity. EL photons interact with the Ag and Al films to create surface plasmon polaritons (SPPs) at the metal-Al{sub

Folate conjugated Mn{sub 3}O{sub 4}@SiO{sub 2} nanoparticles for targeted magnetic resonance imaging in vivo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Xinyi; Zhou, Zhiguo, E-mail: zgzhou@shnu.edu.cn; Wang, Li

2014-09-15

Graphical abstract: The Mn{sub 3}O{sub 4}@SiO{sub 2}(PEG)–FA has been used as a T{sub 1}-MRI probe for in vivo. - Highlights: • The PEG and FA modified Mn{sub 3}O{sub 4}@SiO{sub 2} nanoparticles (Mn{sub 3}O{sub 4}@SiO{sub 2}–FA) were prepared. • Mn{sub 3}O{sub 4}@SiO{sub 2}–FA exhibited the good colloidal stability in the simulated biological medium. • Mn{sub 3}O{sub 4}@SiO{sub 2}–FA showed the targeting ability to HeLa cells overexpressed the FA receptor. • The T{sub 1}-weighted magnetic resonance (MR) imaging demonstrated the targeting ability of Mn{sub 3}O{sub 4}@SiO{sub 2}–FA in vivo tumor. - Abstract: The monodisperse silica-coated manganese oxide nanoparticles (Mn{sub 3}O{sub 4}@SiO{sub 2}more » NPs) were synthesized via the high temperature pyrolysis approach and were aminated through silanization. The amine-functionalized Mn{sub 3}O{sub 4} NPs enabled the covalent conjugation of hydrophilic methoxypoly(ethylene glycol) (PEG) and the targeting ligand of folate (FA) onto their surface. The formed PEG and FA modified Mn{sub 3}O{sub 4} NPs (Mn{sub 3}O{sub 4}@SiO{sub 2}(PEG)–FA) exhibited the good colloidal stability in the simulated biological medium and the targeting ability to HeLa cells overexpressed the FA receptor. The T{sub 1}-weighted magnetic resonance (MR) imaging and inductively coupled plasma atomic emission spectroscopy (ICP-AES) analysis of Mn{sub 3}O{sub 4}@SiO{sub 2}(PEG)–FA NPs further demonstrated their targeting ability in tumor.« less

Method for synthesizing N.sub.2 O.sub.5

DOEpatents

McGuire, Raymond R.; Coon, Clifford L.; Harrar, Jackson E.; Pearson, Richard K.

1985-01-01

A method and apparatus for electrochemically synthesizing N.sub.2 O.sub.5 includes oxidizing a solution of N.sub.2 O.sub.4 /HNO.sub.3 at an anode, while maintaining a controlled potential between the N.sub.2 O.sub.4 /HNO.sub.3 solution and the anode. A potential of about 1.35 to 2.0 V vs. SCE is preferred, while a potential of about 1.80 V vs. SCE is most preferred. Thereafter, the N.sub.2 O.sub.5 is reacted with either 1.5-diacetyl-3,7-dinitro-1,3,5,7-tetraazacyclooctane (DADN) or 1,3,5,7-tetraacetyl-1,3,5,7-tetraazacyclooctane (TAT) to form cyclotetramethylenetetraamine (HMX).

Laser-induced voltages at room temperature in YBa{sub 2}Cu{sub 3}O{sub 7} and Pr{sub x}Y{sub 1{minus}x}Ba{sub 2}Cu{sub 3}O{sub 7} thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Habermeier, H.U.; Jisrawi, N.; Jaeger-Waldau, G.

Recent reports on high transient transverse voltages at room temperature in YBa{sub 2}Cu{sub 3}O{sub 7} and Pr{sub x}Y{sub 1{minus}x}Ba{sub 2}Cu{sub 3}O{sub 7} thin films grown on SrTiO{sub 3} single crystal substrates, with a tilt angle between the [001] cubic axis and the substrate surface plane, have been interpreted by thermoelectric fields transverse to a laser-induced temperature gradient which are caused by the non-zero off diagonal elements of the Seebeck tensor. The authors have studied this effect in epitaxially grown Pr-doped, as well as undoped YBa{sub 2}Cu{sub 3}O{sub 7}, thin films and observed for a 2 mm long YBa{sub 2}Cu{sub 3}O{submore » 7} strip exposed to a UV photon fluence of 100 mJ/cm{sup 2} signals as large as 30 V. The unexpected high values for the signals and their doping dependence are discussed within the frame of a model based on a thermopile arrangement, the growth induced defect structure and the doping induced modifications of the material properties.« less

Synthesis, structure, and polymorphism of A{sub 3}LnSi{sub 2}O{sub 7} (A=Na, K; Ln=Sm, Ho, Yb)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Latshaw, Allison M.; Yeon, Jeongho; Smith, Mark D.

2016-03-15

Four new members of the A{sub 3}LnSi{sub 2}O{sub 7} family, K{sub 3}SmSi{sub 2}O{sub 7}, Na{sub 3}HoSi{sub 2}O{sub 7}, and two polymorphs of Na{sub 3}YbSi{sub 2}O{sub 7}, are reported. K{sub 3}SmSi{sub 2}O{sub 7} crystallizes in the hexagonal space group P6{sub 3}/mcm, Na{sub 3}HoSi{sub 2}O{sub 7} and Na{sub 3}YbSi{sub 2}O{sub 7} crystallize in the hexagonal space group P6{sub 3}/m, and Na{sub 3}YbSi{sub 2}O{sub 7} crystallizes in the trigonal space group P31c. The Na{sub 3}YbSi{sub 2}O{sub 7} composition that crystallizes in P31c is a new structure type. The magnetic properties for the Ho and Yb analogs are reported. - Graphical abstract: The differentmore » structure types and polymorphs of the A{sub 3}LnSi{sub 2}O{sub 7} family reported. - Highlights: • Four new members of the A{sub 3}LnSi{sub 2}O{sub 7} family are presented. • Na{sub 3}YbSi{sub 2}O{sub 7} is reported as two polymorphs, one is a new structure type. • Crystals synthesized out of molten fluoride fluxes.« less

Coherent 3D nanostructure of γ-Al{sub 2}O{sub 3}: Simulation of whole X-ray powder diffraction pattern

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pakharukova, V.P., E-mail: verapakh@catalysis.ru; Novosibirsk State University, Pirogova Street 2, 630090 Novosibirsk; Research and Educational Center for Energy Efficient Catalysis, Novosibirsk State University, Novosibirsk 630090

2017-02-15

The structure and nanostructure features of nanocrystalline γ-Al{sub 2}O{sub 3} obtained by dehydration of boehmite with anisotropic platelet-shaped particles were investigated. The original models of 3D coherent nanostructure of γ-Al{sub 2}O{sub 3} were constructed. The models of nanostructured γ-Al{sub 2}O{sub 3} particles were first confirmed by a direct simulation of powder X–Ray diffraction (XRD) patterns using the Debye Scattering Equation (DSE) with assistance of high-resolution transmission electron microscopy (HRTEM) study. The average crystal structure of γ-Al{sub 2}O{sub 3} was shown to be tetragonally distorted. The experimental results revealed that thin γ-Al{sub 2}O{sub 3} platelets were heterogeneous on a nanometer scalemore » and nanometer-sized building blocks were separated by partially coherent interfaces. The XRD simulation results showed that a specific packing of the primary crystalline blocks in the nanostructured γ-Al{sub 2}O{sub 3} particles with formation of planar defects on (001), (100), and (101) planes nicely accounted for pronounced diffuse scattering, anisotropic peak broadening and peak shifts in the experimental XRD pattern. The identified planar defects in cation sublattice seem to be described as filling cation non-spinel sites in existing crystallographic models of γ-Al{sub 2}O{sub 3} structure. The overall findings provided an insight into the complex nanostructure, which is intrinsic to the metastable γ-Al{sub 2}O{sub 3} oxide. - Highlights: • Thin plate-like crystallites of γ-Al{sub 2}O{sub 3} were obtained. • Models of 3D coherent nanostructure of γ-Al{sub 2}O{sub 3} were constructed. • Models were verified by simulating XRD patterns using the Debye Scattering Equation. • Specific broadening of XRD peaks was explained in terms of planar defects. • Primary crystalline blocks in γ-Al{sub 2}O{sub 3} are separated by partially coherent interfaces.« less

Magnetocaloric effect in gadolinium-oxalate framework Gd{sub 2}(C{sub 2}O{sub 4}){sub 3}(H{sub 2}O){sub 6}⋅(0{sub ⋅}6H{sub 2}O)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sibille, Romain, E-mail: rom.sibille@gmail.com; Didelot, Emilie; Mazet, Thomas

2014-12-01

Magnetic refrigerants incorporating Gd{sup 3+} ions and light organic ligands offer a good balance between isolation of the magnetic centers and their density. We synthesized the framework material Gd{sub 2}(C{sub 2}O{sub 4}){sub 3}(H{sub 2}O){sub 6}⋅0.6H{sub 2}O by a hydrothermal route and characterized its structure. The honeycomb lattice of Gd{sup 3+} ions interlinked by oxalate ligands in the (a,c) plane ensures their decoupling in terms of magnetic exchange interactions. This is corroborated by magnetic measurements indicating negligible interactions between the Gd{sup 3+} ions in this material. The magnetocaloric effect was evaluated from isothermal magnetization measurements. The maximum entropy change −ΔS{sub M}{supmore » max} reaches 75.9 mJ cm{sup −3} K{sup −1} (around 2 K) for a moderate field change (2 T)« less

Two isotypic diphosphates LiM{sub 2}H{sub 3}(P{sub 2}O{sub 7}){sub 2} (M=Ni, Co) containing ferromagnetic zigzag MO{sub 6} chains

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang Tao; Yang Sihai; Liao Fuhui

2008-06-15

Two new isotypic phosphates LiNi{sub 2}H{sub 3}(P{sub 2}O{sub 7}){sub 2} (1) and LiCo{sub 2}H{sub 3}(P{sub 2}O{sub 7}){sub 2} (2) have been hydrothermally synthesized and structurally characterized by the single-crystal X-ray diffraction technique. They crystallize in the monoclinic space group C2/c with the lattice: a=10.925(2) A, b=12.774(3) A, c=8.8833(18) A, {beta}=123.20(3){sup o} for 1 and a=10.999(2) A, b=12.863(3) A, c=8.9419(18) A, {beta}=123.00(3){sup o} for 2. The transition metal atoms are octahedrally coordinated, whereas the lithium and phosphorus atoms are all tetrahedrally coordinated. As the lithium-induced derivatives of MH{sub 2}P{sub 2}O{sub 7} (M=Ni, Co), 1 and 2 possess the same structure withmore » MH{sub 2}P{sub 2}O{sub 7} in terms of topology, comprising the MO{sub 6} zigzag chains and P{sub 2}O{sub 7} as the interchain groups. The magnetisms of 1 and 2 could be interpreted by adopting a quasi-one-dimensional (1D) zigzag chain model as that in their parent compounds: both 1 and 2 have ferromagnetic (FM) NiO{sub 6}/CoO{sub 6} chains; 1 shows a FM cluster glass behavior at low temperatures, which is originated from the possible antiferromagnetic (AFM) next-nearest-neighbour intrachain interactions; 2 shows a AFM ordering at T{sub N}=2.6 K and a metamagnetic transition at H{sub C}=4.2 kOe at 1.8 K. - Graphical abstract: LiNi{sub 2}H{sub 3}(P{sub 2}O{sub 7}){sub 2} (1) and LiCo{sub 2}H{sub 3}(P{sub 2}O{sub 7}){sub 2} (2) have been hydrothermally synthesized and structurally characterized. The MO{sub 6} octahedra share edges forming zigzag chains with P{sub 2}O{sub 7} as the interchain groups. Both of them are quasi-one-dimensional magnets and have ferromagnetic MO{sub 6} chains; 1 is a ferromagnet, whereas 2 is a metamagnet.« less

Sol-gel synthesis of K{sub 3}InF{sub 6} and structural characterization of K{sub 2}InC{sub 10}O{sub 10}H{sub 6}F{sub 9}, K{sub 3}InC{sub 12}O{sub 14}H{sub 4}F{sub 18} and K{sub 3}InC{sub 12}O{sub 12}F{sub 18}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Labeguerie, Jessica; Gredin, Patrick; Marrot, Jerome

2005-10-15

K{sub 3}InF{sub 6} is synthesized by a sol-gel route starting from indium and potassium acetates dissolved in isopropanol in the stoichiometry 1:3, with trifluoroacetic acid as fluorinating agent. The crystal structures of the organic precursors were solved by X-ray diffraction methods on single crystals. Three organic compounds were isolated and identified: K{sub 2}InC{sub 10}O{sub 10}H{sub 6}F{sub 9}, K{sub 3}InC{sub 12}O{sub 14}H{sub 4}F{sub 18} and K{sub 3}InC{sub 12}O{sub 12}F{sub 18}. The first one, deficient in potassium in comparison with the initial stoichiometry, is unstable. In its crystal structure, acetate as well as trifluoroacetate anions are coordinated to the indium atom. Themore » two other precursors are obtained, respectively, by quick and slow evaporation of the solution. They correspond to the final organic compounds, which give K{sub 3}InF{sub 6} by decomposition at high temperature. The crystal structure of K{sub 3}InC{sub 12}O{sub 14}H{sub 4}F{sub 18} is characterized by complex anions [In(CF{sub 3}COO){sub 4}(OH{sub x}){sub 2}]{sup (5-2x)-} and isolated [CF{sub 3}COOH{sub 2-x}]{sup (x-1)-} molecules with x=2 or 1, surrounded by K{sup +} cations. The crystal structure of K{sub 3}InC{sub 12}O{sub 12}F{sub 18} is only constituted by complex anions [In(CF{sub 3}COO){sub 6}]{sup 3-} and K{sup +} cations. For all these compounds, potassium cations ensure only the electroneutrality of the structure. IR spectra of K{sub 2}InC{sub 10}O{sub 10}H{sub 6}F{sub 9} and K{sub 3}InC{sub 12}O{sub 12}F{sub 18} were also performed at room temperature on pulverized crystals.« less

A new BaB{sub 2}Si{sub 2}O{sub 8}:Eu{sup 2+}/Eu{sup 3+}, Tb{sup 3+} phosphor - Synthesis and photoluminescence properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saradhi, M.P.; Department of Chemistry, Indian Institute of Technology Hyderabad, Yeddumailaram, Hyderabad - 502205; Laboratoire de Cristallographie et Sciences des Materiaux, ENSICAEN, Universite de Caen, CNRS, 6 Bd Marechal Juin, F-14050 Caen

2010-10-15

In the present work, we have synthesized maleevite mineral phase BaB{sub 2}Si{sub 2}O{sub 8} for the first time, which is isostructural with the pekovite mineral SrB{sub 2}Si{sub 2}O{sub 8}. In these europium doped host lattices, we observed the partial reduction of Eu{sup 3+} to Eu{sup 2+} at high temperature during the synthesis in air. Tb{sup 3+} co-doping in MB{sub 2}Si{sub 2}O{sub 8}:0.01(Eu{sup 3+}/Eu{sup 2+}) [M=Sr, Ba] improves the emission properties towards white light. The emission color varies from bluish white to greenish white under UV lamp excitation when the host cation changes from Sr to Ba. - Graphical abstract: Themore » figure shows structure refinement of both MB{sub 2}Si{sub 2}O{sub 8} [M=Sr, Ba]. The structure refinement of newly synthesized phase BaB{sub 2}Si{sub 2}O{sub 8} was carried out by taking SrB{sub 2}Si{sub 2}O{sub 8} as starting structure model. Inset in the figure shows the structure projection of BaB{sub 2}Si{sub 2}O{sub 8}. The Sr{sup 2+}/Ba{sup 2+} are embedded in polyanionic network formed by corner sharing BO{sub 4}{sup 5-} and SiO{sub 4}{sup 4-} tetrahedral that intern form interconnected layers of 4 and 8 membered rings perpendicular to b-axis.« less

Simple analysis of atmospheric NO{sub 2}, SO{sub 2}, and O{sub 3} in mountains by using passive samplers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamada, Etsu; Kimura, Mitsuo; Tomozawa, Kenichi

1999-12-01

A simple analysis of atmospheric NO{sub 2}, SO{sub 2}, and O{sub 3} in mountains by passive samplers was investigated and applied to the spatial analysis of air pollutants at Mt. Hiei in Kyoto City, Passive samplers were exposed for 30 days. Yanagisawa-type samplers were used for NO{sub 2} determination. The absorbed NO{sub 2} was measured as nitrite ion spectro-photometrically by the Saltzman method. On the other hand, SO{sub 2} samplers comprising an absorbent filter containing sodium carbonate solution were made. The absorbed SO{sub 2} was oxidized to SO{sub 4}{sup 2{minus}} with an H{sub 2}O{sub 2} solution and determined by ionmore » chromatography. For O{sub 3} determination, Ogawa ozone samplers were used. The O{sub 3} reacted with nitrite ion to produce nitrate ion, which was measured by ion chromatography. The relative standard deviations for NO{sub 2}, SO{sub 2}, and O{sub 3} samplers were 1.4%, 3--10%, and 2--5%, respectively. Samplers were set up in 13 locations at Mt. Hiei. The NO{sub 2} concentration and its distribution along the slope of Mt. Hiei changed considerably both daily and seasonally. The seasonal variation of atmospheric NO{sub 2} showed a winter maximum and a summer minimum. The concentration of atmospheric SO{sub 2} at Mt. Hiei was lower than that of NO{sub 2} and scarcely changed. Atmospheric O{sub 3} increased gradually with an increase of the altitude, exhibiting a regular pattern with a maximum in spring and a minimum in winter.« less

Facile synthesis of α-Fe{sub 2}O{sub 3} nanoparticles for high-performance CO gas sensor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cuong, Nguyen Duc, E-mail: nguyenduccuong@hueuni.edu.vn; Faculty of Hospitality and Tourism, Hue University, 22 Lam Hoang, Vy Da Ward, Hue City; Khieu, Dinh Quang

2015-08-15

Highlights: • We have demonstrated a facile method to prepare Fe{sub 2}O{sub 3} nanoparticles. • The gas sensing properties of α-Fe{sub 2}O{sub 3} have been invested. • The results show potential application of α-Fe{sub 2}O{sub 3} NPs for CO sensors in environmental monitoring. - Abstract: Iron oxide nanoparticles (NPs) were prepared via a simple hydrothermal method for high performance CO gas sensor. The synthesized α-Fe{sub 2}O{sub 3} NPs were characterized by X-ray diffraction, nitrogen adsorption/desorption isotherm, scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), and selected area electron diffraction (SAED). The SEM, TEM results revealedmore » that obtained α-Fe{sub 2}O{sub 3} particles had a peanut-like geometry with hemispherical ends. The response of the α-Fe{sub 2}O{sub 3} NPs based sensor to carbon monoxide (CO) and various concentrations of other gases were measured at different temperatures. It found that the sensor based on the peanut-like α-Fe{sub 2}O{sub 3} NPs exhibited high response, fast response–recovery, and good selectivity to CO at 300 °C. The experimental results clearly demonstrated the potential application of α-Fe{sub 2}O{sub 3} NPs as a good sensing material in the fabrication of CO sensor.« less

Structures and chemical bonding of B{sub 3}O{sub 3}{sup −/0} and B{sub 3}O{sub 3}H{sup −/0}: A combined photoelectron spectroscopy and first-principles theory study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Li-Juan; Xu, Hong-Guang; Feng, Gang

We present a combined photoelectron spectroscopy and first-principles theory study on the structural and electronic properties and chemical bonding of B{sub 3}O{sub 3}{sup −/0} and B{sub 3}O{sub 3}H{sup −/0} clusters. The concerted experimental and theoretical data show that the global-minimum structures of B{sub 3}O{sub 3} and B{sub 3}O{sub 3}H neutrals are very different from those of their anionic counterparts. The B{sub 3}O{sub 3}{sup −} anion is characterized to possess a V-shaped OB–B–BO chain with overall C{sub 2v} symmetry (1A), in which the central B atom interacts with two equivalent boronyl (B≡O) terminals via B–B single bonds as well as withmore » one O atom via a B=O double bond. The B{sub 3}O{sub 3}H{sup −} anion has a C{sub s} (2A) structure, containing an asymmetric OB–B–OBO zig-zag chain and a terminal H atom interacting with the central B atom. In contrast, the C{sub 2v} (1a) global minimum of B{sub 3}O{sub 3} neutral contains a rhombic B{sub 2}O{sub 2} ring with one B atom bonded to a BO terminal and that of neutral B{sub 3}O{sub 3}H (2a) is also of C{sub 2v} symmetry, which is readily constructed from C{sub 2v} (1a) by attaching a H atom to the opposite side of the BO group. The H atom in B{sub 3}O{sub 3}H{sup −/0} (2A and 2a) prefers to interact terminally with a B atom, rather than with O. Chemical bonding analyses reveal a three-center four-electron (3c-4e) π hyperbond in the B{sub 3}O{sub 3}H{sup −} (2A) cluster and a four-center four-electron (4c-4e) π bond (that is, the so-called o-bond) in B{sub 3}O{sub 3} (1a) and B{sub 3}O{sub 3}H (2a) neutral clusters.« less

Sulfidation of Co/Al[sub 2]O[sub 3] and CoMo/Al[sub 2]O[sub 3] catalysts studied by Moessbauer emission spectroscopy