Liquid- and Gas-Phase Diffusion of Ferrocene in Thin Films of Metal-Organic Frameworks

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Wencai Zhou

2015-06-01

Full Text Available The mass transfer of the guest molecules in nanoporous host materials, in particular in metal-organic frameworks (MOFs, is among the crucial features of their applications. By using thin surface-mounted MOF films in combination with a quartz crystal microbalance (QCM, the diffusion of ferrocene vapor and of ethanolic and hexanic ferrocene solution in HKUST-1 was investigated. For the first time, liquid- and gas-phase diffusion in MOFs was compared directly in the identical sample. The diffusion coefficients are in the same order of magnitude (~10−16 m2·s−1, whereas the diffusion coefficient of ferrocene in the empty framework is roughly 3-times smaller than in the MOF which is filled with ethanol or n-hexane.

Liquid- and Gas-Phase Diffusion of Ferrocene in Thin Films of Metal-Organic Frameworks

Science.gov (United States)

Zhou, Wencai; Wöll, Christof; Heinke, Lars

2015-01-01

The mass transfer of the guest molecules in nanoporous host materials, in particular in metal-organic frameworks (MOFs), is among the crucial features of their applications. By using thin surface-mounted MOF films in combination with a quartz crystal microbalance (QCM), the diffusion of ferrocene vapor and of ethanolic and hexanic ferrocene solution in HKUST-1 was investigated. For the first time, liquid- and gas-phase diffusion in MOFs was compared directly in the identical sample. The diffusion coefficients are in the same order of magnitude (~10−16 m2·s−1), whereas the diffusion coefficient of ferrocene in the empty framework is roughly 3-times smaller than in the MOF which is filled with ethanol or n-hexane.

Influence of incoherent twin boundaries on the electrical properties of β-Ga2O3 layers homoepitaxially grown by metal-organic vapor phase epitaxy

Science.gov (United States)

Fiedler, A.; Schewski, R.; Baldini, M.; Galazka, Z.; Wagner, G.; Albrecht, M.; Irmscher, K.

2017-10-01

We present a quantitative model that addresses the influence of incoherent twin boundaries on the electrical properties in β-Ga2O3. This model can explain the mobility collapse below a threshold electron concentration of 1 × 1018 cm-3 as well as partly the low doping efficiency in β-Ga2O3 layers grown homoepitaxially by metal-organic vapor phase epitaxy on (100) substrates of only slight off-orientation. A structural analysis by transmission electron microscopy (TEM) reveals a high density of twin lamellae in these layers. In contrast to the coherent twin boundaries parallel to the (100) plane, the lateral incoherent twin boundaries exhibit one dangling bond per unit cell that acts as an acceptor-like electron trap. Since the twin lamellae are thin, we consider the incoherent twin boundaries to be line defects with a density of 1011-1012 cm-2 as determined by TEM. We estimate the influence of the incoherent twin boundaries on the electrical transport properties by adapting Read's model of charged dislocations. Our calculations quantitatively confirm that the mobility reduction and collapse as well as partly the compensation are due to the presence of twin lamellae.

High growth rate GaN on 200 mm silicon by metal-organic vapor phase epitaxy for high electron mobility transistors

Science.gov (United States)

Charles, M.; Baines, Y.; Bavard, A.; Bouveyron, R.

2018-02-01

It is increasingly important to reduce the cycle time of epitaxial growth, in order to reduce the costs of device fabrication, especially for GaN based structures which typically have growth cycles of several hours. We have performed a comprehensive study using metal-organic vapor phase epitaxy (MOVPE) investigating the effects of changing GaN growth rates from 0.9 to 14.5 μm/h. Although there is no significant effect on the strain incorporated in the layers, we have seen changes in the surface morphology which can be related to the change in dislocation behaviour and surface diffusion effects. At the small scale, as seen by AFM, increased dislocation density for higher growth rates leads to increased pinning of growth terraces, resulting in more closely spaced terraces. At a larger scale of hundreds of μm observed by optical profiling, we have related the formation of grains to the rate of surface diffusion of adatoms using a random walk model, implying diffusion distances from 30 μm for the highest growth rates up to 100 μm for the lowest. The increased growth rate also increases the intrinsic carbon incorporation which can increase the breakdown voltage of GaN films. Despite an increased threading dislocation density, these very high growth rates of 14.5 μm/hr by MOVPE have been shown to be appealing for reducing epitaxial growth cycle times and therefore costs in High Electron Mobility Transistor (HEMT) structures.

Photoreflectance study of strained GaAsN/GaAs T-junction quantum wires grown by metal-organic vapor phase epitaxy.

Science.gov (United States)

Klangtakai, Pawinee; Sanorpim, Sakuntam; Onabe, Kentaro

2011-12-01

Strained GaAsN T-junction quantum wires (T-QWRs) with different N contents grown on GaAs by two steps metal-organic vapor phase epitaxy in [001] and [110] directions, namely QW1 and QW2 respectively, have been investigated by photoreflectance (PR) spectroscopy. Two GaAsN T-QWRs with different N contents were formed by T-intersection of (i) a 6.4-nm-thick GaAs0.89N0.011 QW1 and a 5.2-nm-thick GaAs0.968N0.032 QW2 and (ii) a 5.0-nm-thick GaAs0.985N0.015 QW1 and a 5.2-nm-thick GaAs0.968N0.032 QW2. An evidence of a one-dimensional structure at T-intersection of the two QWs on the (001) and (110) surfaces was established by PR resonances associated with extended states in all the QW and T-QWR samples. It is found that larger lateral confinement energy than 100 meV in both of [001] and [110] directions were achieved for GaAsN T-QWRs. With increasing temperature, the transition energy of GaAsN T-QWRs decreases with a faster shrinking rate compared to that of bulk GaAs. Optical quality of GaAsN T-QWRs is found to be affected by the N-induced band edge fluctuation, which is the unique characteristic of dilute III-V-nitrides.

Effects of Mg/Ga and V/III source ratios on hole concentration of N-polar (000\\bar{1}) p-type GaN grown by metalorganic vapor phase epitaxy

Science.gov (United States)

Nonoda, Ryohei; Shojiki, Kanako; Tanikawa, Tomoyuki; Kuboya, Shigeyuki; Katayama, Ryuji; Matsuoka, Takashi

2016-05-01

The effects of growth conditions such as Mg/Ga and V/III ratios on the properties of N-polar (000\\bar{1}) p-type GaN grown by metalorganic vapor phase epitaxy were studied. Photoluminescence spectra from Mg-doped GaN depended on Mg/Ga and V/III ratios. For the lightly doped samples, the band-to-acceptor emission was observed at 3.3 eV and its relative intensity decreased with increasing V/III ratio. For the heavily doped samples, the donor-acceptor pair emission was observed at 2.8 eV and its peak intensity monotonically decreased with V/III ratio. The hole concentration was maximum for the Mg/Ga ratio. This is the same tendency as in group-III polar (0001) growth. The V/III ratio also reduced the hole concentration. The higher V/III ratio reduced the concentration of residual donors such as oxygen by substituting nitrogen atoms. The surface became rougher with increasing V/III ratio and the hillock density increased.

Raman scattering studies of YBa2Cu3O7-x thin films grown by chemical vapor deposition and metal-organic deposition

International Nuclear Information System (INIS)

Lee, E.; Yoon, S.; Um, Y.M.; Jo, W.; Seo, C.W.; Cheong, H.; Kim, B.J.; Lee, H.G.; Hong, G.W.

2007-01-01

We present results of Raman scattering studies of superconducting YBa 2 Cu 3 O 7-x (YBCO) films grown by chemical vapor deposition and metal-organic deposition methods. It is shown by X-ray diffraction that all the as-grown YBCO films have a highly c-axis oriented and in-plane aligned texture. Raman scattering measurements were used to investigate optical phonon modes, oxygen contents, structural properties, and second-phases of the YBCO coated conductors. Raman spectra of YBCO films with lower-transport qualities exhibit additional phonon modes at ∼300 cm -1 , ∼600 cm -1 , and ∼630 cm -1 , which are related to second-phases such as Ba 2 Cu 3 O 5.9 and BaCuO 2 . Our results strongly suggest that Raman scattering be useful for optimizing YBCO film growth conditions

Catalyst-free growth of InN nanorods by metal-organic chemical vapor deposition

International Nuclear Information System (INIS)

Kim, Min Hwa; Moon, Dae Young; Park, Jinsub; Nanishi, Yasushi; Yi, Gyu-Chul; Yoon, Euijoon

2012-01-01

We demonstrated the growth of catalyst-free InN nanostructures including nanorods on (0001) Al 2 O 3 substrates using metal-organic chemical vapor deposition. As the growth time increased, growth rate along c-direction increased superlinearly with decreasing c-plane area fractions and increasing side wall areas. It was also found that desorption from the sidewalls of InN nanostructures during the InN nanorods formation was one of essential key parameters of the growth mechanism. We propose a growth model to explain the InN nanostructure evolution by considering the side wall desorption and re-deposition of indium at top c-plane surfaces. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Characterisation of titanium nitride films obtained by metalorganic chemical vapor deposition (MOCVD); Caracterizacao de filmes de nitreto de titanio obtidos por MOCVD

Energy Technology Data Exchange (ETDEWEB)

Pillis, M.F., E-mail: mfpillis@ipen.b [Instituto de Pesquisas Energeticas e Nucleares (CCTM/IPEN/CNEN-SP), Sao Paulo, SP (Brazil). Centro de Ciencia e Tecnologia de Materiais; Franco, A.C. [Universidade de Sao Paulo (IF/USP), SP (Brazil). Inst. de Fisica; Araujo, E.G. de [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Sacilotti, M. [Universidade Federal de Pernambuco (IF/UFPE), Recife, PE (Brazil). Inst. de Fisica; Fundacao de Amparo a Ciencia e Tecnologia de Pernambuco (FACEPE), Recife, PE (Brazil)

2009-07-01

Ceramic coatings have been widely used as protective coating to improve the life of cutting tools, for corrosion protection and in microelectronics, optical and medical areas. Transition metals nitrides are of special interest due to its high hardness and thermal stability. In this work thin films of titanium nitride were obtained by MOCVD (metalorganic chemical vapor deposition) process. The tests were carried out for 1h at 700 deg C under 80 and 100 mbar of pressure. The characterization was made by using scanning electron microscopy coupled with dispersive energy analysis, and X-ray diffraction. Preliminary results suggested that Ti{sub 2}N phase was formed and that the growth rate varied between 4 and 13 nm/min according to the process parameter considered. (author)

Formation and characterization of the MgO protecting layer deposited by plasma-enhanced metal-organic chemical-vapor deposition

CERN Document Server

Kang, M S; Byun, J C; Kim, D S; Choi, C K; Lee, J Y; Kim, K H

1999-01-01

MgO films were prepared on Si(100) and soda-lime glass substrates by using plasma-enhanced metal-organic chemical-vapor deposition. Various ratios of the O sub 2 /CH sub 3 MgO sup t Bu gas mixture and various gas flow rates were tested for the film fabrications. Highly (100)-oriented MgO films with good crystallinity were obtained with a 10 sccm CH sub 3 MgO sup t Bu flow without an O sub 2 gas flow. About 5 % carbon was contained in all the MgO films. The refractive index and the secondary electron emission coefficient for the best quality film were 1.43 and 0.45, respectively. The sputtering rate was about 0.2 nm/min for 10 sup 1 sup 1 cm sup - sup 3 Ar sup + ion density. Annealing at 500 .deg. C in an Ar ambient promoted the grain size without inducing a phase transition.

High-voltage vertical GaN Schottky diode enabled by low-carbon metal-organic chemical vapor deposition growth

Science.gov (United States)

Cao, Y.; Chu, R.; Li, R.; Chen, M.; Chang, R.; Hughes, B.

2016-02-01

Vertical GaN Schottky barrier diode (SBD) structures were grown by metal-organic chemical vapor deposition on free-standing GaN substrates. The carbon doping effect on SBD performance was studied by adjusting the growth conditions and spanning the carbon doping concentration between ≤3 × 1015 cm-3 and 3 × 1019 cm-3. Using the optimized growth conditions that resulted in the lowest carbon incorporation, a vertical GaN SBD with a 6-μm drift layer was fabricated. A low turn-on voltage of 0.77 V with a breakdown voltage over 800 V was obtained from the device.

Micro-light-emitting diodes with III–nitride tunnel junction contacts grown by metalorganic chemical vapor deposition

KAUST Repository

Hwang, David

2017-12-13

Micro-light-emitting diodes (µLEDs) with tunnel junction (TJ) contacts were grown entirely by metalorganic chemical vapor deposition. A LED structure was grown, treated with UV ozone and hydrofluoric acid, and reloaded into the reactor for TJ regrowth. The silicon doping level of the n++-GaN TJ was varied to examine its effect on voltage. µLEDs from 2.5 × 10−5 to 0.01 mm2 in area were processed, and the voltage penalty of the TJ for the smallest µLED at 20 A/cm2 was 0.60 V relative to that for a standard LED with indium tin oxide. The peak external quantum efficiency of the TJ LED was 34%.

Micro-light-emitting diodes with III–nitride tunnel junction contacts grown by metalorganic chemical vapor deposition

KAUST Repository

Hwang, David; Mughal, Asad J.; Wong, Matthew S.; Alhassan, Abdullah I.; Nakamura, Shuji; DenBaars, Steven P.

2017-01-01

Micro-light-emitting diodes (µLEDs) with tunnel junction (TJ) contacts were grown entirely by metalorganic chemical vapor deposition. A LED structure was grown, treated with UV ozone and hydrofluoric acid, and reloaded into the reactor for TJ regrowth. The silicon doping level of the n++-GaN TJ was varied to examine its effect on voltage. µLEDs from 2.5 × 10−5 to 0.01 mm2 in area were processed, and the voltage penalty of the TJ for the smallest µLED at 20 A/cm2 was 0.60 V relative to that for a standard LED with indium tin oxide. The peak external quantum efficiency of the TJ LED was 34%.

Metal-organic aerogel as a coating for solid-phase microextraction

Energy Technology Data Exchange (ETDEWEB)

Saraji, Mohammad, E-mail: saraji@cc.iut.ac.ir; Shahvar, Ali

2017-06-22

An iron-based metal-organic aerogel was synthesized using metal-organic framework nanoparticles and applied as a fiber coating for solid-phase microextraction (SPME). Chemical, thermal and morphological characteristics of the material were investigated. Headspace SPME followed by gas chromatography-electron capture detection was used for the determination of chlorobenzenes in the environmental samples. The key experimental factors affecting the extraction efficiency of the analytes, such as ionic strength, extraction and desorption temperature, and extraction time were investigated and optimized. The applicability of the coating for the extraction of chlorobenzenes from the environmental samples including river and tap water, sludge, and coastal soil was evaluated. The detection limits were in the range of 0.1–60 ng L{sup −1}. The relative standard deviations were between 2.0 and 5.0%. The extraction recovery of the analytes was in the range of 88–100%. Compared to the commercial PDMS fiber, the present fiber showed better extraction efficiency. - Highlights: • Metal-organic aerogel was synthesized and used as a novel fiber coating for SPME. • The new coating material showed high surface area and good thermal stability. • GC-ECD was used for determination of chlorobenzenes in environmental samples. • The method showed fast extraction and better efficiency than PDMS commercial fiber.

Vapor Compressor Driven Hybrid Two-Phase Loop, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — This Small Business Innovation Research Phase I project will demonstrate a vapor compressor driven hybrid two-phase loop technology. The hybrid two-phase loop...

Comparison of precursors for pulsed metal-organic chemical vapor deposition of HfO2 high-K dielectric thin films

International Nuclear Information System (INIS)

Teren, Andrew R.; Thomas, Reji; He, Jiaqing; Ehrhart, Peter

2005-01-01

Hafnium oxide films were deposited on Si(100) substrates using pulsed metal-organic chemical vapor deposition (CVD) and evaluated for high-K dielectric applications. Three types of precursors were tested: two oxygenated ones, Hf butoxide-dmae and Hf butoxide-mmp, and an oxygen-free one, Hf diethyl-amide. Depositions were carried out in the temperature range of 350-650 deg. C, yielding different microstructures ranging from amorphous to crystalline, monoclinic, films. The films were compared on the basis of growth rate, phase development, density, interface characteristics, and electrical properties. Some specific features of the pulsed injection technique are considered. For low deposition temperatures the growth rate for the amide precursor was significantly higher than for the mixed butoxide precursors. A thickness-dependent amorphous to crystalline phase transition temperature was found for all precursors. There is an increase of the film density along with the deposition temperature from values as low as 5 g/cm 3 at 350 deg. C to values close to the bulk value of 9.7 g/cm 3 at 550 deg. C. Crystallization is observed in the same temperature range for films of typically 10-20 nm thickness. However, annealing studies show that this density increase is not simply related to the crystallization of the films. Similar electrical properties could be observed for all precursors and the dielectric constant of the films reaches values similar to the best values reported for bulk crystalline HfO 2

Effects of As/P exchange on InAs/lnP (100) quantum dots formation by metalorganic chemical vapor Deposition

Energy Technology Data Exchange (ETDEWEB)

Barik, S; Tan, H H; Jagadish, C [The Australian National University, ACT (Australia). Research School of Physical Sciences and Engineering, Department of Electronic Materials Engineering

2005-07-01

Full text: Self-assembled InAs/lnP quantum dots (QDs) are very promising active materials for QD lasers and semiconductor amplifiers for optical fiber communications (1.3-1.55 mm). However the main challenge associated with this material system is the As/P exchange reaction which degrades the structural and optical properties of the QDs. In this talk, we will show the effect of growing a thin spacer layer of GaAs or InGaAs prior to the deposition of the InAs QDs by metalorganic chemical vapor deposition. Not only the effect of As/P exchange is suppressed or minimized but the bandgap of the QDs could be tuned too. Copyright (2005) Australian Institute of Physics.

Hydrolytically stable fluorinated metal-organic frameworks for energy-efficient dehydration

KAUST Repository

Cadiau, Amandine; Belmabkhout, Youssef; Adil, Karim; Bhatt, Prashant; Pillai, Renjith S.; Shkurenko, Aleksander; Martineau-Corcos, Charlotte; Maurin, Guillaume; Eddaoudi, Mohamed

2017-01-01

fluorinated metal-organic framework, AlFFIVE-1-Ni (KAUST-8), with a periodic array of open metal coordination sites and fluorine moieties within the contracted square-shaped one-dimensional channel. This material selectively removed water vapor from gas

Low temperature metalorganic chemical vapor deposition of gallium nitride using dimethylhydrazine as nitrogen source

Energy Technology Data Exchange (ETDEWEB)

Hsu, Y.J.; Hong, L.S.; Huang, K.F.; Tsay, J.E

2002-11-01

Gallium nitride (GaN) films have been homoepitaxially grown by low pressure metalorganic chemical vapor deposition technique using dimethylhydrazine (DMHy) and trimethylgallium (TMG) as the reactants at low temperatures ranging from 873 to 923 K and a constant pressure of 10 Torr. The potential of utilizing DMHy as a nitrogen source is evaluated through understanding the kinetics of GaN film growth. A growth rate dependency study with respect to DMHy and TMG concentrations indicates that Langmuir-Hinshelwood typed reaction dominates the film growth. From a model fitting to the experimental film growth rate, the adsorption equilibrium constant of DMHy is found to be approximately 1/20 that of TMG, indicating that V/III feed ratio can be reduced down to 20 to obtain a stoichiometric GaN film. Based on X-ray photoelectron spectroscope measurement, the films formed by DMHy, however, accompany significant carbon contamination due to the strong C-N bonding in DMHy. The contamination can be relieved effectively by introducing H{sub 2} into the reaction.

Low temperature metalorganic chemical vapor deposition of gallium nitride using dimethylhydrazine as nitrogen source

International Nuclear Information System (INIS)

Hsu, Y.J.; Hong, L.S.; Huang, K.F.; Tsay, J.E.

2002-01-01

Gallium nitride (GaN) films have been homoepitaxially grown by low pressure metalorganic chemical vapor deposition technique using dimethylhydrazine (DMHy) and trimethylgallium (TMG) as the reactants at low temperatures ranging from 873 to 923 K and a constant pressure of 10 Torr. The potential of utilizing DMHy as a nitrogen source is evaluated through understanding the kinetics of GaN film growth. A growth rate dependency study with respect to DMHy and TMG concentrations indicates that Langmuir-Hinshelwood typed reaction dominates the film growth. From a model fitting to the experimental film growth rate, the adsorption equilibrium constant of DMHy is found to be approximately 1/20 that of TMG, indicating that V/III feed ratio can be reduced down to 20 to obtain a stoichiometric GaN film. Based on X-ray photoelectron spectroscope measurement, the films formed by DMHy, however, accompany significant carbon contamination due to the strong C-N bonding in DMHy. The contamination can be relieved effectively by introducing H 2 into the reaction

Island dynamics and anisotropy during vapor phase epitaxy of m-plane GaN

Energy Technology Data Exchange (ETDEWEB)

Perret, Edith [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; University of Fribourg, Department of Physics and Fribourg Center for Nanomaterials, Chemin du Musée 3, CH-1700 Fribourg, Switzerland; Xu, Dongwei [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Highland, M. J. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Stephenson, G. B. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Zapol, P. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Fuoss, P. H. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Munkholm, A. [Munkholm Consulting, Mountain View, California 94043, USA; Thompson, Carol [Department of Physics, Northern Illinois University, DeKalb, Illinois 60115, USA

2017-12-04

Using in situ grazing-incidence x-ray scattering, we have measured the diffuse scattering from islands that form during layer-by-layer growth of GaN by metal-organic vapor phase epitaxy on the (1010) m-plane surface. The diffuse scattering is extended in the (0001) in-plane direction in reciprocal space, indicating a strong anisotropy with islands elongated along [1210] and closely spaced along [0001]. This is confirmed by atomic force microscopy of a quenched sample. Islands were characterized as a function of growth rate F and temperature. The island spacing along [0001] observed during the growth of the first monolayer obeys a power-law dependence on growth rate F-n, with an exponent n = 0:25 + 0.02. The results are in agreement with recent kinetic Monte Carlo simulations, indicating that elongated islands result from the dominant anisotropy in step edge energy and not from surface diffusion anisotropy. The observed power-law exponent can be explained using a simple steady-state model, which gives n = 1/4.

Laser vapor phase deposition of semiconductors

Energy Technology Data Exchange (ETDEWEB)

Karlov, N.V.; Luk' ianchuk, B.S.; Sisakian, E.V.; Shafeev, G.A.

1987-06-01

The pyrolytic effect of IR laser radiation is investigated with reference to the initiation and control of the vapor phase deposition of semiconductor films. By selecting the gas mixture composition and laser emission parameters, it is possible to control the deposition and crystal formation processes on the surface of semiconductors, with the main control action achieved due to the nonadiabatic kinetics of reactions in the gas phase and high temperatures in the laser heating zone. This control mechanism is demonstrated experimentally during the laser vapor deposition of germanium and silicon films from tetrachlorides on single-crystal Si and Ge substrates. 5 references.

The liquid to vapor phase transition in excited nuclei

Energy Technology Data Exchange (ETDEWEB)

Elliott, J.B.; Moretto, L.G.; Phair, L.; Wozniak, G.J.; Beaulieu, L.; Breuer, H.; Korteling, R.G.; Kwiatkowski, K.; Lefort, T.; Pienkowski, L.; Ruangma, A.; Viola, V.E.; Yennello, S.J.

2001-05-08

For many years it has been speculated that excited nuclei would undergo a liquid to vapor phase transition. For even longer, it has been known that clusterization in a vapor carries direct information on the liquid-vapor equilibrium according to Fisher's droplet model. Now the thermal component of the 8 GeV/c pion + 197 Au multifragmentation data of the ISiS Collaboration is shown to follow the scaling predicted by Fisher's model, thus providing the strongest evidence yet of the liquid to vapor phase transition.

Shock wave of vapor-liquid two-phase flow

Institute of Scientific and Technical Information of China (English)

Liangju ZHAO; Fei WANG; Hong GAO; Jingwen TANG; Yuexiang YUAN

2008-01-01

The shock wave of vapor-liquid two-phase flow in a pressure-gain steam injector is studied by build-ing a mathematic model and making calculations. The results show that after the shock, the vapor is nearly com-pletely condensed. The upstream Mach number and the volume ratio of vapor have a great effect on the shock. The pressure and Mach number of two-phase shock con-form to the shock of ideal gas. The analysis of available energy shows that the shock is an irreversible process with entropy increase.

Qualification of a sublimation tool applied to the case of metalorganic chemical vapor deposition of In{sub 2}O{sub 3} from In(tmhd){sub 3} as a solid precursor

Energy Technology Data Exchange (ETDEWEB)

Szkutnik, P. D., E-mail: pierre.szkutnik@cea.fr; Jiménez, C. [Université Grenoble Alpes, CNRS, LMGP, 3 Parvis Louis Néel, Minatec CS 50257, 38016 Grenoble Cedex 1 (France); Angélidès, L.; Todorova, V. [Air Liquide Electronics Systems, 8 rue des Méridiens–Sud Galaxie BP 228, 38433 Échirolles Cedex (France)

2016-02-15

A solid delivery system consisting of a source canister, a gas management, and temperature controlled enclosure designed and manufactured by Air Liquide Electronics Systems was tested in the context of gas-phase delivery of the In(tmhd){sub 3} solid precursor. The precursor stream was delivered to a thermal metalorganic chemical vapor deposition reactor to quantify deposition yield under various conditions of carrier gas flow and sublimation temperature. The data collected allowed the determination of characteristic parameters such as the maximum precursor flow rate (18.2 mg min{sup −1} in specified conditions) and the critical mass (defined as the minimum amount of precursor able to attain the maximum flow rate) found to be about 2.4 g, as well as an understanding of the influence of powder distribution inside the canister. Furthermore, this qualification enabled the determination of optimal delivery conditions which allowed for stable and reproducible precursor flow rates over long deposition times (equivalent to more than 47 h of experiment). The resulting In{sub 2}O{sub 3} layers was compared with those elaborated via pulsed liquid injection obtained in the same chemical vapor deposition chamber and under the same deposition conditions.

Vapor phase versus liquid phase grafting of meso-porous alumina

NARCIS (Netherlands)

Sripathi, V.G.P.; Mojet, Barbara; Nijmeijer, Arian; Benes, Nieck Edwin

2013-01-01

Functionalization of meso-porous c-alumina has been performed by grafting of 3-Aminopropyltrimethoxysilane (3APTMS) simultaneously from either the liquid phase or from the vapor phase. In both cases, after grafting nitrogen physisorption indicates that the materials remain meso-porous with

Polarization-induced hole doping in N-polar III-nitride LED grown by metalorganic chemical vapor deposition

KAUST Repository

Yan, Long

2018-05-03

Polarization-induced doping has been shown to be effective for wide-bandgap III-nitrides. In this work, we demonstrated a significantly enhanced hole concentration via linearly grading an N-polar AlxGa1-xN (x = 0–0.3) layer grown by metal-organic chemical vapor deposition. The hole concentration increased by ∼17 times compared to that of N-polar p-GaN at 300 K. The fitting results of temperature-dependent hole concentration indicated that the holes in the graded p-AlGaN layer comprised both polarization-induced and thermally activated ones. By optimizing the growth conditions, the hole concentration was further increased to 9.0 × 1017 cm−3 in the graded AlGaN layer. The N-polar blue-violet light-emitting device with the graded p-AlGaN shows stronger electroluminescence than the one with the conventional p-GaN. The study indicates the potential of the polarization doping technique in high-performance N-polar light-emitting devices.

Polarization-induced hole doping in N-polar III-nitride LED grown by metalorganic chemical vapor deposition

KAUST Repository

Yan, Long; Zhang, Yuantao; Han, Xu; Deng, Gaoqiang; Li, Pengchong; Yu, Ye; Chen, Liang; Li, Xiaohang; Song, Junfeng

2018-01-01

Polarization-induced doping has been shown to be effective for wide-bandgap III-nitrides. In this work, we demonstrated a significantly enhanced hole concentration via linearly grading an N-polar AlxGa1-xN (x = 0–0.3) layer grown by metal-organic chemical vapor deposition. The hole concentration increased by ∼17 times compared to that of N-polar p-GaN at 300 K. The fitting results of temperature-dependent hole concentration indicated that the holes in the graded p-AlGaN layer comprised both polarization-induced and thermally activated ones. By optimizing the growth conditions, the hole concentration was further increased to 9.0 × 1017 cm−3 in the graded AlGaN layer. The N-polar blue-violet light-emitting device with the graded p-AlGaN shows stronger electroluminescence than the one with the conventional p-GaN. The study indicates the potential of the polarization doping technique in high-performance N-polar light-emitting devices.

Curvature evolution of 200 mm diameter GaN-on-insulator wafer fabricated through metalorganic chemical vapor deposition and bonding

Science.gov (United States)

Zhang, Li; Lee, Kwang Hong; Kadir, Abdul; Wang, Yue; Lee, Kenneth E.; Tan, Chuan Seng; Chua, Soo Jin; Fitzgerald, Eugene A.

2018-05-01

Crack-free 200 mm diameter N-polar GaN-on-insulator (GaN-OI) wafers are demonstrated by the transfer of metalorganic chemical vapor deposition (MOCVD)-grown Ga-polar GaN layers from Si(111) wafers onto SiO2/Si(100) wafers. The wafer curvature of the GaN-OI wafers after the removal of the original Si(111) substrate is correlated with the wafer curvature of the starting GaN-on-Si wafers and the voids on the GaN-on-Si surface that evolve into cracks on the GaN-OI wafers. In crack-free GaN-OI wafers, the wafer curvature during the removal of the AlN nucleation layer, AlGaN strain-compensation buffer layers and GaN layers is correlated with the residual stress distribution within individual layers in the GaN-OI wafer.

Characterization of Pb(Zr, Ti)O sub 3 thin films prepared by metal-organic chemical-vapor deposition using a solid delivery system

CERN Document Server

Shin, J C; Hwang, C S; Kim, H J; Lee, J M

1999-01-01

Pb(Zr, Ti)O sub 3 (PZT) thin films were deposited on Pt/SiO sub 2 /Si substrates by metal-organic chemical-vapor deposition technique using a solid delivery system to improve the reproducibility of the deposition. The self-regulation mechanism, controlling the Pb-content of the film, was observed to work above a substrate temperature of 620 .deg. C. Even with the self-regulation mechanism, PZT films having low leakage current were obtained only when the molar mixing ratio of the input precursors was 1

Beryllium doped p-type GaN grown by metal-organic chemical vapor depostion

International Nuclear Information System (INIS)

Al-Tahtamouni, T.M.; Sedhain, A.; Lin, J.Y.; Jiang, H.X.

2010-01-01

The authors report on the growth of Be-doped p-type GaN epilayers by metal-organic chmical vapor deposition (MOCVD). The electrical and optical properties of the Be-doped GaN epilayers were studied by Hall-effect measurements and photoluminescence (PL) spectroscopy. The PL spectra of Be-doped GaN epilayers ethibited two emission lines at 3.36 and 2.71 eV, which were obsent in undoped epilayers. The transition at 3.36 eV was at 3.36 and 2.71eV, which were absent in undoped epilayers. The transition at 3.36 eV was assigned to the transition of free electrons to the neutral Be acceptor Be d eg.. The transition at 2.71 eV was assigned to the transition of electrons bound to deep level donors to the Be d eg. acceptors. Three independent measurements: (a) resistivity vs. temperature, (b) PL peak positions between Be doped and undoped GaN and (c) activation energy of 2.71 eV transition all indicate that the Be energy level is between 120 and 140 meV above the valence band. This is about 20-40 meV shallower than the Mg energy level (160 meV) in GaN. It is thus concluded that Be could be an excellent acceptor dopant in nitride materials. (authors).

The growth of mid-infrared emitting InAsSb/InAsP strained-layer superlattices using metal-organic chemical vapor deposition

International Nuclear Information System (INIS)

Biefeld, R.M.; Allerman, A.A.; Kurtz, S.R.; Burkhart, J.H.

1997-01-01

We describe the metal-organic chemical vapor deposition os InAsSb/InAsP strained-layer superlattice (SLS) active regions for use in mid-infrared emitters. These SLSs were grown at 500 degrees C, and 200 torr in a horizontal quartz reactor using trimethylindium, triethylantimony, AsH 3 , and PH 3 . By changing the layer thickness and composition we have prepared structures with low temperature (≤20K) photoluminescence wavelengths ranging from 3.2 to 5.0 μm. Excellent performance was observed for an SLS light emitting diode (LED) and both optically pumped and electrically injected SLS layers. An InAsSb/InAsP SLS injection laser emitted at 3.3 μm at 80 K with peak power of 100 mW

Sinter-Resistant Platinum Catalyst Supported by Metal-Organic Framework

Energy Technology Data Exchange (ETDEWEB)

Kim, In Soo [Materials Science Division, Argonne National Lab, 9700 S Cass Ave. Argonne IL 60439 USA; Nanophotonics Center, Korea Institute of Science and Technology, Seoul 02792 South Korea; Li, Zhanyong [Department of Chemistry, Northwestern University, 2145 Sheridan Rd. Evanston IL 60208 USA; Zheng, Jian [Institute for Integrated Catalysis, Pacific Northwest National Lab, P.O. Box 999 Richland WA 99352 USA; Platero-Prats, Ana E. [X-ray Science Division, Argonne National Lab, 9700 S Cass Ave. Argonne IL 60439 USA; Mavrandonakis, Andreas [Department of Chemistry, University of Minnesota, 207 Pleasant St. SE Minneapolis MN 55455 USA; Pellizzeri, Steven [Chemical and Biomolecular Engineering, Clemson University, 205 Earle Hall Clemson SC 29634 USA; Ferrandon, Magali [Chemical Sciences and Engineering Division, Argonne National Lab, 9700 S. Cass Ave. Argonne IL 60439 USA; Vjunov, Aleksei [Institute for Integrated Catalysis, Pacific Northwest National Lab, P.O. Box 999 Richland WA 99352 USA; Gallington, Leighanne C. [X-ray Science Division, Argonne National Lab, 9700 S Cass Ave. Argonne IL 60439 USA; Webber, Thomas E. [Department of Chemistry, University of Minnesota, 207 Pleasant St. SE Minneapolis MN 55455 USA; Vermeulen, Nicolaas A. [Department of Chemistry, Northwestern University, 2145 Sheridan Rd. Evanston IL 60208 USA; Penn, R. Lee [Department of Chemistry, University of Minnesota, 207 Pleasant St. SE Minneapolis MN 55455 USA; Getman, Rachel B. [Chemical and Biomolecular Engineering, Clemson University, 205 Earle Hall Clemson SC 29634 USA; Cramer, Christopher J. [Department of Chemistry, University of Minnesota, 207 Pleasant St. SE Minneapolis MN 55455 USA; Chapman, Karena W. [X-ray Science Division, Argonne National Lab, 9700 S Cass Ave. Argonne IL 60439 USA; Camaioni, Donald M. [Institute for Integrated Catalysis, Pacific Northwest National Lab, P.O. Box 999 Richland WA 99352 USA; Fulton, John L. [Institute for Integrated Catalysis, Pacific Northwest National Lab, P.O. Box 999 Richland WA 99352 USA; Lercher, Johannes A. [Institute for Integrated Catalysis, Pacific Northwest National Lab, P.O. Box 999 Richland WA 99352 USA; Department of Chemistry and Catalysis Research Institute, Technische Universität München, Lichtenbergstrasse 4 85748 Garching Germany; Farha, Omar K. [Department of Chemistry, Northwestern University, 2145 Sheridan Rd. Evanston IL 60208 USA; Hupp, Joseph T. [Materials Science Division, Argonne National Lab, 9700 S Cass Ave. Argonne IL 60439 USA; Department of Chemistry, Northwestern University, 2145 Sheridan Rd. Evanston IL 60208 USA; Martinson, Alex B. F. [Materials Science Division, Argonne National Lab, 9700 S Cass Ave. Argonne IL 60439 USA

2018-01-02

Installed on the zirconia nodes of a metal-organic framework (MOF) NU-1000 via targeted vapor-phase synthesis. The catalytic Pt clusters, site-isolated by organic linkers, are shown to exhibit high catalytic activity for ethylene hydrogenation while exhibiting resistance to sintering up to 200 degrees C. In situ IR spectroscopy reveals the presence of both single atoms and few-atom clusters that depend upon synthesis conditions. Operando X-ray absorption spectroscopy and Xray pair distribution analyses reveal unique changes in chemical bonding environment and cluster size stability while on stream. Density functional theory calculations elucidate a favorable reaction pathway for ethylene hydrogenation with the novel catalyst. These results provide evidence that atomic layer deposition (ALD) in MOFs is a versatile approach to the rational synthesis of size-selected clusters, including noble metals, on a high surface area support.

Toxicity of vapor phase petroleum contaminants to microbial degrader communities

International Nuclear Information System (INIS)

Long, S.C.; Davey, C.A.

1994-01-01

Petroleum products constitute the largest quantity of synthetic organic chemical products produced in the US. They are comprised of mostly hydrocarbon constituents from many different chemical classes including alkenes, cycloalkanes, aromatic compounds, and polyaromatic hydrocarbons. Many petroleum constituents are classified as volatile organic compounds or VOCs. Petroleum products also constitute a major portion of environmental pollution. One emerging technology, with promise for applications to VOCs in subsurface soil environments, is bioventing coupled with soil vapor extraction. These technologies involve volatilization of contaminants into the soil gas phase by injection and withdrawal of air. This air movement causes enhancement of the aerobic microbial degradation of the mobilized vapors by the indigenous populations. This study investigated the effects of exposure of mixed, subsurface microbial communities to vapor phase petroleum constituents or vapors of petroleum mixtures. Soil slurries were prepared and plated onto mineral salts agar plates and exposed to vapor phase contaminants at equilibrium with pure product. Representative n-alkane, branched alkane, cycloalkane, and aromatic compounds were tested as well as petroleum product mixtures. Vapor exposure altered the numbers and morphologies of the colonies enumerated when compared to controls. However, even at high, equilibrium vapor concentrations, microbial degrader populations were not completely inhibited

Experimental comparison of chiral metal-organic framework used as stationary phase in chromatography.

Science.gov (United States)

Xie, Sheng-Ming; Zhang, Mei; Fei, Zhi-Xin; Yuan, Li-Ming

2014-10-10

Chiral metal-organic frameworks (MOFs) are a new class of multifunctional material, which possess diverse structures and unusual properties such as high surface area, uniform and permanent cavities, as well as good chemical and thermal stability. Their chiral functionality makes them attractive as novel enantioselective adsorbents and stationary phases in separation science. In this paper, the experimental comparison of a chiral MOF [In₃O(obb)₃(HCO₂)(H₂O)] solvent used as a stationary phase was investigated in gas chromatography (GC), high-performance liquid chromatography (HPLC) and capillary electrochromatography (CEC). The potential relationship between the structure and components of chiral MOFs with their chiral recognition ability and selectivity are presented. Copyright © 2014 Elsevier B.V. All rights reserved.

Growth and coalescence control of inclined c-axis polar and semipolar GaN multilayer structures grown on Si(111), Si(112), and Si(115) by metalorganic vapor phase epitaxy

Energy Technology Data Exchange (ETDEWEB)

Szymański, Tomasz, E-mail: tomasz.szymanski@pwr.edu.pl; Wośko, Mateusz; Paszkiewicz, Bartłomiej; Paszkiewicz, Bogdan; Paszkiewicz, Regina [The Faculty of Microsystem Electronics and Photonics, Wroclaw University of Technology, Janiszewskiego 11/17, 50-372 Wroclaw (Poland); Sankowska, Iwona [The Institute of Electron Technology, Al. Lotnikow 32/46, 02-668 Warszawa (Poland)

2016-09-15

Herein, silicon substrates in alternative orientations from the commonly used Si(111) were used to enable the growth of polar and semipolar GaN-based structures by the metalorganic vapor phase epitaxy method. Specifically, Si(112) and Si(115) substrates were used for the epitaxial growth of nitride multilayer structures, while the same layer schemes were also deposited on Si(111) for comparison purposes. Multiple approaches were studied to examine the influence of the seed layers and the growth process conditions upon the final properties of the GaN/Si(11x) templates. Scanning electron microscope images were acquired to examine the topography of the deposited samples. It was observed that the substrate orientation and the process conditions allow control to produce an isolated GaN block growth or a coalesced layer growth, resulting in inclined c-axis GaN structures under various forms. The angles of the GaN c-axis inclination were determined by x-ray diffraction measurements and compared with the results obtained from the analysis of the atomic force microscope (AFM) images. The AFM image analysis method to determine the structure tilt was found to be a viable method to estimate the c-axis inclination angles of the isolated blocks and the not-fully coalesced layers. The quality of the grown samples was characterized by the photoluminescence method conducted at a wide range of temperatures from 77 to 297 K, and was correlated with the sample degree of coalescence. Using the free-excitation peak positions plotted as a function of temperature, analytical Bose-Einstein model parameters were fitted to obtain further information about the grown structures.

Effect of the substrate on the properties of ZnO-MgO thin films grown by atmospheric pressure metal-organic chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Torres-Huerta, A.M., E-mail: atohuer@hotmail.com [Instituto Politecnico Nacional, Grupo de Ingenieria en Procesamiento de Materiales CICATA-IPN, Unidad Altamira, km 14.5, Carretera Tampico-Puerto Industrial Altamira. C. P. 89600, Altamira, Tamps (Mexico); Dominguez-Crespo, M.A. [Instituto Politecnico Nacional, Grupo de Ingenieria en Procesamiento de Materiales CICATA-IPN, Unidad Altamira, km 14.5, Carretera Tampico-Puerto Industrial Altamira. C. P. 89600, Altamira, Tamps (Mexico); Brachetti-Sibaja, S.B. [Alumna del postgrado en Tecnologia Avanzada del CICATA-IPN, Unidad Altamira IPN, km 14.5, Carretera Tampico-Puerto Industrial Altamira. C. P. 89600, Altamira, Tamps (Mexico); Arenas-Alatorre, J. [Instituto de Fisica, UNAM, Apartado Postal 20-364, 01000, D.F. (Mexico); Rodriguez-Pulido, A. [Unidad Profesional Adolfo Lopez Mateos, Luis Enrique Erro s/n, 07738, D. F. (Mexico)

2011-07-01

The ZnO-MgO alloys possess attractive properties for possible applications in optoelectronic and display devices; however, the optical properties are strongly dependent on the deposition parameters. In this work, the effect of the glassy and metallic substrates on the structural, morphological and optical properties of ZnO-MgO thin films using atmospheric pressure metal-organic chemical vapor deposition was investigated at relatively low deposition temperature, 500 deg. C. Magnesium and zinc acetylacetonates were used as the metal-organic source. X-ray diffraction experiments provided evidence that the kind of substrates cause a deviation of c-axis lattice constant due to the constitution of a oxide mixture (ZnO and MgO) in combination with different intermetallic compounds(Mg{sub 2}Zn{sub 11} and Mg{sub 4}Zn{sub 7}) in the growth films. The substitutional and interstitial sites of Mg{sup 2+} instead of Zn{sup 2+} ions in the lattice are the most probable mechanism to form intermetallic compounds. The optical parameters as well as thickness of the films were calculated by Spectroscopic Ellipsometry using the classical dispersion model based on the sum of the single and double Lorentz and Drude oscillators in combination with Kato-Adachi equations, as well as X-ray reflectivity.

Characterization of N-polar AlN in GaN/AlN/(Al,Ga)N heterostructures grown by metal-organic chemical vapor deposition

Science.gov (United States)

Li, Haoran; Mazumder, Baishakhi; Bonef, Bastien; Keller, Stacia; Wienecke, Steven; Speck, James S.; Denbaars, Steven P.; Mishra, Umesh K.

2017-11-01

In GaN/(Al,Ga)N high-electron-mobility transistors (HEMT), AlN interlayer between GaN channel and AlGaN barrier suppresses alloy scattering and significantly improves the electron mobility of the two-dimensional electron gas. While high concentrations of gallium were previously observed in Al-polar AlN interlayers grown by metal-organic chemical vapor deposition, the N-polar AlN (Al x Ga1-x N) films examined by atom probe tomography in this study exhibited aluminum compositions (x) equal to or higher than 95% over a wide range of growth conditions. The also investigated AlN interlayer in a N-polar GaN/AlN/AlGaN/ S.I. GaN HEMT structure possessed a similarly high x content.

Selective epitaxial growth of Ge1-xSnx on Si by using metal-organic chemical vapor deposition

Science.gov (United States)

Washizu, Tomoya; Ike, Shinichi; Inuzuka, Yuki; Takeuchi, Wakana; Nakatsuka, Osamu; Zaima, Shigeaki

2017-06-01

Selective epitaxial growth of Ge and Ge1-xSnx layers on Si substrates was performed by using metal-organic chemical vapor deposition (MOCVD) with precursors of tertiary-butyl-germane (t-BGe) and tri-butyl-vinyl-tin (TBVSn). We investigated the effects of growth temperature and total pressure during growth on the selectivity and the crystallinity of the Ge and Ge1-xSnx epitaxial layers. Under low total pressure growth conditions, the dominant mechanism of the selective growth of Ge epitaxial layers is the desorption of the Ge precursors. At a high total pressure case, it is needed to control the surface migration of precursors to realize the selectivity because the desorption of Ge precursors was suppressed. The selectivity of Ge growth was improved by diffusion of the Ge precursors on the SiO2 surfaces when patterned substrates were used at a high total pressure. The selective epitaxial growth of Ge1-xSnx layer was also realized using MOCVD. We found that the Sn precursors less likely to desorb from the SiO2 surfaces than the Ge precursors.

Morphological Evolution of a-GaN on r-Sapphire by Metalorganic Chemical Vapor Deposition

International Nuclear Information System (INIS)

Sang Ling; Liu Jian-Ming; Xu Xiao-Qing; Wang Jun; Zhao Gui-Juan; Liu Chang-Bo; Gu Cheng-Yan; Liu Gui-Peng; Wei Hong-Yuan; Liu Xiang-Lin; Yang Shao-Yan; Zhu Qin-Sheng; Wang Zhan-Guo

2012-01-01

The morphological evolution of a-GaN deposited by metalorganic chemical vapor deposition (MOCVD) on r-sapphire is studied. The influences of V/III ratio and growth temperature on surface morphology are investigated. V-pits and stripes are observed on the surface of a-GaN grown at 1050°C and 1100°C, respectively. The overall orientation and geometry of V-pits are uniform and independent on the V/III molar ratio in the samples grown at 1050°C, while in the samples grown at 1100°C, the areas of stripes decrease with the adding of V/III ratio. We deduce the origin of V-pits and stripes by annealing the buffer layers at different temperatures. Because of the existence of inclined (101-bar1) facets, V-pits are formed at 1050°C. The (101-bar1) plane is an N terminated surface, which is metastable at higher temperature, so stripes instead of V-pits are observed at 1100°C. Raman spectra suggest that the growth temperature of the first layer in the two-step process greatly affects the strain of the films. Hence, to improve the growth temperature of the first layer in the two-step method may be an effective way to obtain high quality a-GaN film on r-sapphire. (condensed matter: structure, mechanical and thermal properties)

High mobility single-crystalline-like GaAs thin films on inexpensive flexible metal substrates by metal-organic chemical vapor deposition

International Nuclear Information System (INIS)

Dutta, P.; Rathi, M.; Gao, Y.; Yao, Y.; Selvamanickam, V.; Zheng, N.; Ahrenkiel, P.; Martinez, J.

2014-01-01

We demonstrate heteroepitaxial growth of single-crystalline-like n and p-type doped GaAs thin films on inexpensive, flexible, and light-weight metal foils by metal-organic chemical vapor deposition. Single-crystalline-like Ge thin film on biaxially textured templates made by ion beam assisted deposition on metal foil served as the epitaxy enabling substrate for GaAs growth. The GaAs films exhibited strong (004) preferred orientation, sharp in-plane texture, low grain misorientation, strong photoluminescence, and a defect density of ∼10 7  cm −2 . Furthermore, the GaAs films exhibited hole and electron mobilities as high as 66 and 300 cm 2 /V-s, respectively. High mobility single-crystalline-like GaAs thin films on inexpensive metal substrates can pave the path for roll-to-roll manufacturing of flexible III-V solar cells for the mainstream photovoltaics market.

High mobility single-crystalline-like GaAs thin films on inexpensive flexible metal substrates by metal-organic chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Dutta, P., E-mail: pdutta2@central.uh.edu; Rathi, M.; Gao, Y.; Yao, Y.; Selvamanickam, V. [Department of Mechanical Engineering, University of Houston, Houston, Texas 77204 (United States); Zheng, N.; Ahrenkiel, P. [Department of Nanoscience and Nanoengineering, South Dakota School of Mines and Technology, Rapid City, South Dakota 57701 (United States); Martinez, J. [Materials Evaluation Laboratory, NASA Johnson Space Center, Houston, Texas 77085 (United States)

2014-09-01

We demonstrate heteroepitaxial growth of single-crystalline-like n and p-type doped GaAs thin films on inexpensive, flexible, and light-weight metal foils by metal-organic chemical vapor deposition. Single-crystalline-like Ge thin film on biaxially textured templates made by ion beam assisted deposition on metal foil served as the epitaxy enabling substrate for GaAs growth. The GaAs films exhibited strong (004) preferred orientation, sharp in-plane texture, low grain misorientation, strong photoluminescence, and a defect density of ∼10{sup 7 }cm{sup −2}. Furthermore, the GaAs films exhibited hole and electron mobilities as high as 66 and 300 cm{sup 2}/V-s, respectively. High mobility single-crystalline-like GaAs thin films on inexpensive metal substrates can pave the path for roll-to-roll manufacturing of flexible III-V solar cells for the mainstream photovoltaics market.

Comparing electrical characteristics of in situ and ex situ Al2O3/GaN interfaces formed by metalorganic chemical vapor deposition

Science.gov (United States)

Chan, Silvia H.; Bisi, Davide; Tahhan, Maher; Gupta, Chirag; DenBaars, Steven P.; Keller, Stacia; Zanoni, Enrico; Mishra, Umesh K.

2018-04-01

Al2O3/n-GaN MOS-capacitors grown by metalorganic chemical vapor deposition with in-situ- and ex-situ-formed Al2O3/GaN interfaces were characterized. Capacitors grown entirely in situ exhibited ˜4 × 1012 cm-2 fewer positive fixed charges and up to ˜1 × 1013 cm-2 eV-1 lower interface-state density near the band-edge than did capacitors with ex situ oxides. When in situ Al2O3/GaN interfaces were reformed via the insertion of a 10-nm-thick GaN layer, devices exhibited behavior between the in situ and ex situ limits. These results illustrate the extent to which an in-situ-formed dielectric/GaN gate stack improves the interface quality and breakdown performance.

Fundamentals of Friction and Vapor Phase Lubrication

National Research Council Canada - National Science Library

Gellman, Andrew

2004-01-01

This is the final report for the three year research program on "Fundamentals of Friction and Vapor Phase Lubrication" conducted at Carnegie Mellon with support from AFOSR grant number F49630-01-1-0069...

Structural and optical characteristics of InN/GaN multiple quantum wells grown by metalorganic chemical vapor deposition

International Nuclear Information System (INIS)

Kim, Je Won; Lee, Kyu Han; Hong, Sangsu

2007-01-01

The structural and electrical properties of InN/GaN multiple quantum wells, which were grown by metalorganic chemical vapor deposition, were characterized by transmission electron microscopy (TEM) and electroluminescence measurements. From the TEM micrographs, it was shown that the well layer was grown like a quantum dot. The well layer is expected to be the nano-size structures in the InN multiple quantum well layers. The multi-photon confocal laser scanning microscopy was used to investigate the optical properties of the light emitting diode (LED) structures with InN active layers. It was found that the two-photon excitation was possible in InN system. The pit density was measured by using the far-field optical technique. In the varied current conditions, the blue LED with the InN multiple quantum well structures did not have the wavelength shift. With this result, we can expect that the white LEDs with the InN multiple quantum well structures do not show the color temperature changes with the variations of applied currents

Doping characteristics of Si-doped n-GaN Epilayers grown by low-pressure metal-organic chemical-vapor deposition

CERN Document Server

Noh, S K; Park, S E; Lee, I H; Choi, I H; Son, S J; Lim, K Y; Lee, H J

1998-01-01

We studied doping behaviors through analysis of the electronic properties of a series of undoped and Si-doped GaN epilayers grown on (0001) sapphire substrates by the low-pressure metal-organic chemical-vapor deposition (LP-MOCVD) technique. The doping efficiency was in the range of 0.4 - 0.8, and an empirical relation expressed as eta = 0.45 log[Si] - 8.1 was obtained. The temperature dependence of carrier concentration showed that the donor activation energy monotonically decreased from 17.6 meV to almost zero as the doping level increased. We suggest that the reduction in the activation energy is related not to autodoped defect centers but to doped Si donors and that the behavior originates from the formation of an impurity band. On the basis of an abrupt change in the compensation ratio from 0.9 to 0.5 by Si-doping, an exceptional difference in the Hall mobility between the undoped and the Si-doped films is explained by a mixed conduction mechanism of electrons and holes.

Vapor phase elemental sulfur amendment for sequestering mercury in contaminated soil

Science.gov (United States)

Looney, Brian B.; Denham, Miles E.; Jackson, Dennis G.

2014-07-08

The process of treating elemental mercury within the soil is provided by introducing into the soil a heated vapor phase of elemental sulfur. As the vapor phase of elemental sulfur cools, sulfur is precipitated within the soil and then reacts with any elemental mercury thereby producing a reaction product that is less hazardous than elemental mercury.

A novel hybrid metal-organic framework-polymeric monolith for solid-phase microextraction.

Science.gov (United States)

Lin, Chen-Lan; Lirio, Stephen; Chen, Ya-Ting; Lin, Chia-Her; Huang, Hsi-Ya

2014-03-17

This study describes the fabrication of a novel hybrid metal-organic framework- organic polymer (MOF-polymer) for use as a stationary phase in fritless solid-phase microextraction (SPME) for validating analytical methods. The MOF-polymer was prepared by using ethylene dimethacrylate (EDMA), butyl methacrylate (BMA), and an imidazolium-based ionic liquid as porogenic solvent followed by microwave-assisted polymerization with the addition of 25 % MOF. This novel hybrid MOF-polymer was used to extract penicillin (penicillin G, penicillin V, oxacillin, cloxacillin, nafcillin, dicloxacillin) under different conditions. Quantitative analysis of the extracted penicillin samples using the MOF-organic polymer for SPME was conducted by using capillary electrochromatography (CEC) coupled with UV analysis. The penicillin recovery was 63-96.2 % with high reproducibility, sensitivity, and reusability. The extraction time with the proposed fabricated SPME was only 34 min. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Sinter-Resistant Platinum Catalyst Supported by Metal-Organic Framework.

Science.gov (United States)

Kim, In Soo; Li, Zhanyong; Zheng, Jian; Platero-Prats, Ana E; Mavrandonakis, Andreas; Pellizzeri, Steven; Ferrandon, Magali; Vjunov, Aleksei; Gallington, Leighanne C; Webber, Thomas E; Vermeulen, Nicolaas A; Penn, R Lee; Getman, Rachel B; Cramer, Christopher J; Chapman, Karena W; Camaioni, Donald M; Fulton, John L; Lercher, Johannes A; Farha, Omar K; Hupp, Joseph T; Martinson, Alex B F

2018-01-22

Single atoms and few-atom clusters of platinum are uniformly installed on the zirconia nodes of a metal-organic framework (MOF) NU-1000 via targeted vapor-phase synthesis. The catalytic Pt clusters, site-isolated by organic linkers, are shown to exhibit high catalytic activity for ethylene hydrogenation while exhibiting resistance to sintering up to 200 °C. In situ IR spectroscopy reveals the presence of both single atoms and few-atom clusters that depend upon synthesis conditions. Operando X-ray absorption spectroscopy and X-ray pair distribution analyses reveal unique changes in chemical bonding environment and cluster size stability while on stream. Density functional theory calculations elucidate a favorable reaction pathway for ethylene hydrogenation with the novel catalyst. These results provide evidence that atomic layer deposition (ALD) in MOFs is a versatile approach to the rational synthesis of size-selected clusters, including noble metals, on a high surface area support. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Metal-Organic Framework Thin Films as Stationary Phases in Microfabricated Gas-Chromatography Columns.

Energy Technology Data Exchange (ETDEWEB)

Read, Douglas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Sillerud, Colin Halliday [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2016-01-01

The overarching goal of this project is to integrate Sandia's microfabricated gas-chromatography ( GC) columns with a stationary phase material that is capable of retaining high-volatility chemicals and permanent gases. The successful integration of such a material with GCs would dramatically expand the repertoire of detectable compounds for Sandia's various microanalysis systems. One such promising class of candidate materials is metal-organic frameworks (MOFs). In this report we detail our methods for controlled deposition of HKUST-1 MOF stationary phases within GC columns. We demonstrate: the chromatographic separation of natural gas; a method for determining MOF film thickness from chromatography alone; and the first-reported GC x GC separation of natural gas -- in general -- let alone for two disparate MOF stationary phases. In addition we determine the fundamental thermodynamic constant for mass sorption, the partition coefficient, for HKUST-1 and several light hydrocarbons and select toxic industrial chemicals.

Metal-organic chemical vapor deposition of high quality, high indium composition N-polar InGaN layers for tunnel devices

Science.gov (United States)

Lund, Cory; Romanczyk, Brian; Catalano, Massimo; Wang, Qingxiao; Li, Wenjun; DiGiovanni, Domenic; Kim, Moon J.; Fay, Patrick; Nakamura, Shuji; DenBaars, Steven P.; Mishra, Umesh K.; Keller, Stacia

2017-05-01

In this study, the growth of high quality N-polar InGaN films by metalorganic chemical vapor deposition is presented with a focus on growth process optimization for high indium compositions and the structural and tunneling properties of such films. Uniform InGaN/GaN multiple quantum well stacks with indium compositions up to 0.46 were grown with local compositional analysis performed by energy-dispersive X-ray spectroscopy within a scanning transmission electron microscope. Bright room-temperature photoluminescence up to 600 nm was observed for films with indium compositions up to 0.35. To study the tunneling behavior of the InGaN layers, N-polar GaN/In0.35Ga0.65N/GaN tunnel diodes were fabricated which reached a maximum current density of 1.7 kA/cm2 at 5 V reverse bias. Temperature-dependent measurements are presented and confirm tunneling behavior under reverse bias.

Metalorganic chemical vapor deposition of Er{sub 2}O{sub 3} thin films: Correlation between growth process and film properties

Energy Technology Data Exchange (ETDEWEB)

Giangregorio, Maria M. [Institute of Inorganic Methodologies and of Plasmas, IMIP-CNR and INSTM sez. Bari, Via Orabona 4, 70125 Bari (Italy)], E-mail: michelaria.giangregorio@ba.imip.cnr.it; Losurdo, Maria; Sacchetti, Alberto; Capezzuto, Pio; Bruno, Giovanni [Institute of Inorganic Methodologies and of Plasmas, IMIP-CNR and INSTM sez. Bari, Via Orabona 4, 70125 Bari (Italy)

2009-02-27

Er{sub 2}O{sub 3} thin films have been grown by metalorganic chemical vapor deposition (MOCVD) at 600 deg. C on different substrates, including glass, Si (100) and sapphire (0001) using tris(isopropylcyclopentadienyl)erbium and O{sub 2}. The effects of growth parameters such as the substrate, the O{sub 2} plasma activation and the temperature of organometallic precursor injection, on the nucleation/growth kinetics and, consequently, on film properties have been investigated. Specifically, very smooth (111)-oriented Er{sub 2}O{sub 3} thin films (the root mean square roughness is 0.3 nm) are achieved on Si (100), {alpha}-Al{sub 2}O{sub 3} (0001) and amorphous glass by MOCVD. Growth under O{sub 2} remote plasma activation results in an increase in growth rate and in (100)-oriented Er{sub 2}O{sub 3} films with high refractive index and transparency in the visible photon energy range.

An Ising model for metal-organic frameworks

Science.gov (United States)

Höft, Nicolas; Horbach, Jürgen; Martín-Mayor, Victor; Seoane, Beatriz

2017-08-01

We present a three-dimensional Ising model where lines of equal spins are frozen such that they form an ordered framework structure. The frame spins impose an external field on the rest of the spins (active spins). We demonstrate that this "porous Ising model" can be seen as a minimal model for condensation transitions of gas molecules in metal-organic frameworks. Using Monte Carlo simulation techniques, we compare the phase behavior of a porous Ising model with that of a particle-based model for the condensation of methane (CH4) in the isoreticular metal-organic framework IRMOF-16. For both models, we find a line of first-order phase transitions that end in a critical point. We show that the critical behavior in both cases belongs to the 3D Ising universality class, in contrast to other phase transitions in confinement such as capillary condensation.

Liquid-phase extraction coupled with metal-organic frameworks-based dispersive solid phase extraction of herbicides in peanuts.

Science.gov (United States)

Li, Na; Wang, Zhibing; Zhang, Liyuan; Nian, Li; Lei, Lei; Yang, Xiao; Zhang, Hanqi; Yu, Aimin

2014-10-01

Liquid-phase extraction coupled with metal-organic frameworks-based dispersive solid phase extraction was developed and applied to the extraction of pesticides in high fatty matrices. The herbicides were ultrasonically extracted from peanut using ethyl acetate as extraction solvent. The separation of the analytes from a large amount of co-extractive fat was achieved by dispersive solid-phase extraction using MIL-101(Cr) as sorbent. In this step, the analytes were adsorbed on MIL-101(Cr) and the fat remained in bulk. The herbicides were separated and determined by high-performance liquid chromatography. The experimental parameters, including type and volume of extraction solvent, ultrasonication time, volume of hexane and eluting solvent, amount of MIL-101(Cr) and dispersive solid phase extraction time, were optimized. The limits of detection for herbicides range from 0.98 to 1.9 μg/kg. The recoveries of the herbicides are in the range of 89.5-102.7% and relative standard deviations are equal or lower than 7.0%. The proposed method is simple, effective and suitable for treatment of the samples containing high content of fat. Copyright © 2014 Elsevier B.V. All rights reserved.

Biodegradation of vapor-phase toluene in unsaturated porous media: Column experiments

International Nuclear Information System (INIS)

Khan, Ali M.; Wick, Lukas Y.; Harms, Hauke; Thullner, Martin

2016-01-01

Biodegradation of organic chemicals in the vapor phase of soils and vertical flow filters has gained attention as promising approach to clean up volatile organic compounds (VOC). The drivers of VOC biodegradation in unsaturated systems however still remain poorly understood. Here, we analyzed the processes controlling aerobic VOC biodegradation in a laboratory setup mimicking the unsaturated zone above a shallow aquifer. The setup allowed for diffusive vapor-phase transport and biodegradation of three VOC: non-deuterated and deuterated toluene as two compounds of highly differing biodegradability but (nearly) identical physical and chemical properties, and MTBE as (at the applied experimental conditions) non-biodegradable tracer and internal control. Our results showed for toluene an effective microbial degradation within centimeter VOC transport distances despite high gas-phase diffusivity. Degradation rates were controlled by the reactivity of the compounds while oxic conditions were found everywhere in the system. This confirms hypotheses that vadose zone biodegradation rates can be extremely high and are able to prevent the outgassing of VOC to the atmosphere within a centimeter range if compound properties and site conditions allow for sufficiently high degradation rates. - Highlights: • The column setup allows resolving vapor-phase VOC concentration gradients at cm scale resolution. • Vapor-phase and liquid-phase concentrations are measured simultaneously. • Isotopically labelled VOC was used as reference species of low biodegradability. • Biodegradation rates in the unsaturated zone can be very high and act at a cm scale. • Unsaturated material can be an effective bio-barrier avoiding biodegradable VOC emissions. - Microbial degradation activity can be sufficient to remove VOC from unsaturated porous media after a few centimeter of vapor-phase diffusive transport and mayeffectively avoid atmospheric emissions.

Effect of vapor-phase oxygen on chemical vapor deposition growth of graphene

Science.gov (United States)

Terasawa, Tomo-o.; Saiki, Koichiro

2015-03-01

To obtain a large-area single-crystal graphene, chemical vapor deposition (CVD) growth on Cu is considered the most promising. Recently, the surface oxygen on Cu has been found to suppress the nucleation of graphene. However, the effect of oxygen in the vapor phase was not elucidated sufficiently. Here, we investigate the effect of O2 partial pressure (PO2) on the CVD growth of graphene using radiation-mode optical microscopy. The nucleation density of graphene decreases monotonically with PO2, while its growth rate reaches a maximum at a certain pressure. Our results indicate that PO2 is an important parameter to optimize in the CVD growth of graphene.

Direct Vapor-Phase Bromination of Multiwall Carbon Nanotubes

Directory of Open Access Journals (Sweden)

Ilya Mazov

2012-01-01

Full Text Available We present the simple procedure of the vapor-phase bromination of multiwall carbon nanotubes (MWNTs at moderate temperatures. MWNTs with average diameter 9±3 nm were treated with Br2 vapors at 250°C to produce Br-functionalized product. Transmission electron microscopy analysis was used to prove low damage of MWNT walls during bromination. X-ray photoelectron spectroscopy (XPS and differential thermal analysis (DTA were used to investigate chemical composition of the surface of initial and brominated nanotubes. The experimental results show that the structure of MWNTs is not affected by the bromination process and the total amount of Br-containing surface functions reaches 2.5 wt. %. Electrophysical properties of initial and brominated MWNTs were investigated showing decrease of conductivity for functionalized sample. Possible mechanism of the vapor-phase bromination via surface defects and oxygen-containing functional groups was proposed according to data obtained. Additional experiments with bromination of annealed low-defected MWNTs were performed giving Br content a low as 0.75 wt. % proving this hypothesis.

Lanthanide metal-organic frameworks

International Nuclear Information System (INIS)

Cheng, Peng

2015-01-01

This book contains the following nine chapters: lanthanide metal-organic frameworks: syntheses, properties, and potential applications (Stephen Fordham, Xuan Wang, Mathieu Bosch, Hong-Cai Zhou); 2. chiral lanthanide metal-organic frameworks (Weisheng Liu, Xiaoliang Tang); 3. Porous lanthanide metal-organic frameworks for gas storage and separation (Bin Li, Banglin Chen); 4. Luminescent lanthanide metal-organic frameworks (Xue-Zhi Song, Shu-Yan Song, Hong-Jie Zhang); 5. Metal-organic frameworks based on lanthanide clusters (Lian Chen, Feilong Jiang, Kang Zhou, Mingyan Wu, Maochun Hong); 6. metal-organic frameworks with d-f cyanide bridges: structural diversity, bonding regime, and magnetism (Marilena Ferbinteanu, Fanica Cimpoesu, Stefania Tanase); 7. transition-lanthanide heterometal-organic frameworks: synthesis, structures, and properties (Wei Shi, Ke Liu, Peng Cheng); 8: MOFs of uranium and the actinides (Juan Su, Jiesheng Chen); 9. Nanostructured and/or nanoscale lanthanide metal-organic frameworks (Zhonghao Zhang, Zhiping Zheng).

Lanthanide metal-organic frameworks

Energy Technology Data Exchange (ETDEWEB)

Cheng, Peng (ed.) [Nankai Univ., Tianjin (China). Dept. of Chemistry

2015-03-01

This book contains the following nine chapters: lanthanide metal-organic frameworks: syntheses, properties, and potential applications (Stephen Fordham, Xuan Wang, Mathieu Bosch, Hong-Cai Zhou); 2. chiral lanthanide metal-organic frameworks (Weisheng Liu, Xiaoliang Tang); 3. Porous lanthanide metal-organic frameworks for gas storage and separation (Bin Li, Banglin Chen); 4. Luminescent lanthanide metal-organic frameworks (Xue-Zhi Song, Shu-Yan Song, Hong-Jie Zhang); 5. Metal-organic frameworks based on lanthanide clusters (Lian Chen, Feilong Jiang, Kang Zhou, Mingyan Wu, Maochun Hong); 6. metal-organic frameworks with d-f cyanide bridges: structural diversity, bonding regime, and magnetism (Marilena Ferbinteanu, Fanica Cimpoesu, Stefania Tanase); 7. transition-lanthanide heterometal-organic frameworks: synthesis, structures, and properties (Wei Shi, Ke Liu, Peng Cheng); 8: MOFs of uranium and the actinides (Juan Su, Jiesheng Chen); 9. Nanostructured and/or nanoscale lanthanide metal-organic frameworks (Zhonghao Zhang, Zhiping Zheng).

Metal-organic framework based in-syringe solid-phase extraction for the on-site sampling of polycyclic aromatic hydrocarbons from environmental water samples.

Science.gov (United States)

Zhang, Xiaoqiong; Wang, Peiyi; Han, Qiang; Li, Hengzhen; Wang, Tong; Ding, Mingyu

2018-04-01

In-syringe solid-phase extraction is a promising sample pretreatment method for the on-site sampling of water samples because of its outstanding advantages of portability, simple operation, short extraction time, and low cost. In this work, a novel in-syringe solid-phase extraction device using metal-organic frameworks as the adsorbent was fabricated for the on-site sampling of polycyclic aromatic hydrocarbons from environmental waters. Trace polycyclic aromatic hydrocarbons were effectively extracted through the self-made device followed by gas chromatography with mass spectrometry analysis. Owing to the excellent adsorption performance of metal-organic frameworks, the analytes could be completely adsorbed during one adsorption cycle, thus effectively shortening the extraction time. Moreover, the adsorbed analytes could remain stable on the device for at least 7 days, revealing the potential of the self-made device for on-site sampling of degradable compounds in remote regions. The limit of detection ranged from 0.20 to 1.9 ng/L under the optimum conditions. Satisfactory recoveries varying from 84.4 to 104.5% and relative standard deviations below 9.7% were obtained in real samples analysis. The results of this study promote the application of metal-organic frameworks in sample preparation and demonstrate the great potential of in-syringe solid-phase extraction for the on-site sampling of trace contaminants in environmental waters. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Preparation of Hydrophobic Metal-Organic Frameworks via Plasma Enhanced Chemical Vapor Deposition of Perfluoroalkanes for the Removal of Ammonia

Science.gov (United States)

DeCoste, Jared B.; Peterson, Gregory W.

2013-01-01

Plasma enhanced chemical vapor deposition (PECVD) of perfluoroalkanes has long been studied for tuning the wetting properties of surfaces. For high surface area microporous materials, such as metal-organic frameworks (MOFs), unique challenges present themselves for PECVD treatments. Herein the protocol for development of a MOF that was previously unstable to humid conditions is presented. The protocol describes the synthesis of Cu-BTC (also known as HKUST-1), the treatment of Cu-BTC with PECVD of perfluoroalkanes, the aging of materials under humid conditions, and the subsequent ammonia microbreakthrough experiments on milligram quantities of microporous materials. Cu-BTC has an extremely high surface area (~1,800 m2/g) when compared to most materials or surfaces that have been previously treated by PECVD methods. Parameters such as chamber pressure and treatment time are extremely important to ensure the perfluoroalkane plasma penetrates to and reacts with the inner MOF surfaces. Furthermore, the protocol for ammonia microbreakthrough experiments set forth here can be utilized for a variety of test gases and microporous materials. PMID:24145623

Self-Catalyzed Growth and Characterization of In(As)P Nanowires on InP(111)B Using Metal-Organic Chemical Vapor Deposition.

Science.gov (United States)

Park, Jeung Hun; Pozuelo, Marta; Setiawan, Bunga P D; Chung, Choong-Heui

2016-12-01

We report the growth of vertical -oriented InAs x P1-x (0.11 ≤ x ≤ 0.27) nanowires via metal-organic chemical vapor deposition in the presence of indium droplets as catalysts on InP(111)B substrates at 375 °C. Trimethylindium, tertiarybutylphosphine, and tertiarybutylarsine are used as the precursors, corresponding to P/In and As/In molar ratios of 29 and 0.01, respectively. The as-grown nanowire growth morphologies, crystallinity, composition, and optical characteristics are determined using a combination of scanning and transmission electron microscopies, electron diffraction, and X-ray photoelectron, energy dispersive X-ray, and Raman spectroscopies. We find that the InAs x P1-x nanowires are tapered with narrow tops, wider bases, and In-rich In-As alloy tips, characteristic of vapor-liquid-solid process. The wires exhibit a mixture of zinc blende and wurtzite crystal structures and a high density of structural defects such as stacking faults and twins. Our results suggest that the incorporation of As into InP wires decreases with increasing substrate temperature. The Raman spectra obtained from the In(As)P nanowires reveal a red-shift and lower intensity of longitudinal optical mode relative to both InP nanowires and InP(111)B bulk, due to the incorporation of As into the InP matrix.

Phase relationship, vaporization, and thermodynamic properties of the lanthanum--boron system

International Nuclear Information System (INIS)

Storms, E.; Mueller, B.

1978-01-01

The La-B system was studied between LaB/sub 4.24/ and LaB/sub 29.2/, and between 1400 and 2100 K to determine the phase relationship, the chemical activity of the components, the vaporization rate, and the vapor composition. A blue colored phase near LaB 9 was found to exist between purple colored LaB 6 and elemental boron. Diffusion is so much slower than vaporization that large composition differences can exist between the surface and the interior which, nevertheless, produce a steady state loss rate from freely vaporizing material. The flux at 1700 K is 6 x 10 -10 g/cm 2 s for LaB 4 +LaB 6 and 7 x 10 -11 g/cm 2 s for LaB 6 + LaB 9 . There is an activation energy which lowers the vaporization rate of boron from LaB 6 . Freely vaporizing material will have a steady state surface composition between LaB/sub 6.04/ and LaB/sub 6.07/, depending on temperature, purity, and interior composition. The free energy of formation of LaB 6 is (0.07lT - 351)kJ/mol between 1700 and 2100 K

Magnetic phase transition induced by electrostatic gating in two-dimensional square metal-organic frameworks

Science.gov (United States)

Wang, Yun-Peng; Li, Xiang-Guo; Liu, Shuang-Long; Fry, James N.; Cheng, Hai-Ping

2018-03-01

We investigate theoretically magnetism and magnetic phase transitions induced by electrostatic gating of two-dimensional square metal-organic framework compounds. We find that electrostatic gating can induce phase transitions between homogeneous ferromagnetic and various spin-textured antiferromagnetic states. Electronic structure and Wannier function analysis can reveal hybridizations between transition-metal d orbitals and conjugated π orbitals in the organic framework. Mn-containing compounds exhibit a strong d -π hybridization that leads to partially occupied spin-minority bands, in contrast to compounds containing transition-metal ions other than Mn, for which electronic structure around the Fermi energy is only slightly spin split due to weak d -π hybridization and the magnetic interaction is of the Ruderman-Kittel-Kasuya-Yosida type. We use a ferromagnetic Kondo lattice model to understand the phase transition in Mn-containing compounds in terms of carrier density and illuminate the complexity and the potential to control two-dimensional magnetization.

Catalyst-free vapor-phase transport growth of vertically aligned ZnO nanorods on 6H-SiC and (11-20)Al{sub 2}O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Mofor, A.C.; Bakin, A.S.; Elshaer, A.; Waag, A. [Inst. of Semiconductor Technology, Technical Univ. Braunschweig (Germany); Fuhrmann, D.; Hangleiter, A. [Inst. of Applied Physics, Technical Univ. Braunschweig (Germany); Bertram, F.; Christen, J. [Dept. of Solid State Physics, Univ. of Magdeburg (Germany)

2006-03-15

ZnO nanostructures are expected to pave the way for many interesting applications in optoelectronics, spin electronics gas sensor technology and biomedicine. Fabrication methods, especially for nanorods have been based mostly on catalyst-assisted growth methods that employ metal-organic sources and other contaminating agents like graphite to grow ZnO nanorods at relatively high temperatures. We report on the growth of ZnO nanorods on 6H-SiC and (11-20)Al{sub 2}O{sub 3} using purely elemental sources, without catalysis and at relatively low temperatures and growth pressure in a specially designed vapor-phase transport system. ZnO nanorods with widths of 80-900 nm and lengths of 4-12 {mu}m were obtained. Nanorod concentrations of up to 10{sup 9} cm{sup -2} with homogenous luminescence and high purity were noted. (orig.)

Low-Temperature Preparation of (111)-oriented Pb(Zr,Ti)O3 Films Using Lattice-Matched (111)SrRuO3/Pt Bottom Electrode by Metal-Organic Chemical Vapor Deposition

Science.gov (United States)

Kuwabara, Hiroki; Sumi, Akihiro; Okamoto, Shoji; Hoko, Hiromasa; Cross, Jeffrey S.; Funakubo, Hiroshi

2009-04-01

Pb(Zr0.35Ti0.65)O3 (PZT) films 170 nm thick were prepared at 415 °C by pulsed metal-organic chemical vapor deposition. The (111)-oriented PZT films with local epitaxial growth were obtained on (111)SrRuO3/(111)Pt/TiO2/SiO2/Si substrates and their ferroelectricities were ascertained. Ferroelectricity was improved by postannealing under O2 gas flow up to 550 °C. Larger remanent polarization and better fatigue endurance were obtained using a SrRuO3 top electrode compared to a Pt top electrode for PZT films after annealing at 500 °C.

The effect of vadose zone heterogeneities on vapor phase migration and aquifer contamination by volatile organics

Energy Technology Data Exchange (ETDEWEB)

Seneviratne, A.; Findikakis, A.N. [Bechtel Corporation, San Francisco, CA (United States)

1995-03-01

Organic vapors migrating through the vadose zone and inter-phase transfer can contribute to the contamination of larger portions of aquifers than estimated by accounting only for dissolved phase transport through the saturated zone. Proper understanding of vapor phase migration pathways is important for the characterization of the extent of both vadose zone and the saturated zone contamination. The multiphase simulation code T2VOC is used to numerically investigate the effect of heterogeneties on the vapor phase migration of chlorobenzene at a hypothetical site where a vapor extraction system is used to remove contaminants. Different stratigraphies consisting of alternate layers of high and low permeability materials with soil properties representative of gravel, sandy silt and clays are evaluated. The effect of the extent and continuity of low permeability zones on vapor migration is evaluated. Numerical simulations are carried out for different soil properties and different boundary conditions. T2VOC simulations with zones of higher permeability were made to assess the role of how such zones in providing enhanced migration pathways for organic vapors. Similarly, the effect of the degree of saturation of the porous medium on vapor migration was for a range of saturation values. Increased saturation reduces the pore volume of the medium available for vapor diffusion. Stratigraphic units with higher aqueous saturation can retard the vapor phase migration significantly.

High-resistivity unintentionally carbon-doped GaN layers with nitrogen as nucleation layer carrier gas grown by metal-organic chemical vapor deposition

Directory of Open Access Journals (Sweden)

Fu Chen

2017-12-01

Full Text Available In this letter, high-resistivity unintentionally carbon-doped GaN layers with sheet resistivity greater than 106 Ω/□ have been grown on c-plane sapphire substrates by metal-organic chemical vapor deposition (MOCVD. We have observed that the growth of GaN nucleation layers (NLs under N2 ambient leads to a large full width at half maximum (FWHM of (102 X-ray diffraction (XRD line in the rocking curve about 1576 arc sec. Unintentional carbon incorporation can be observed in the secondary ion mass spectroscopy (SIMS measurements. The results demonstrate the self-compensation mechanism is attributed to the increased density of edge-type threading dislocations and carbon impurities. The AlGaN/GaN HEMT grown on the high-resistivity GaN template has also been fabricated, exhibiting a maximum drain current of 478 mA/mm, a peak transconductance of 60.0 mS/mm, an ON/OFF ratio of 0.96×108 and a breakdown voltage of 621 V.

High-resistivity unintentionally carbon-doped GaN layers with nitrogen as nucleation layer carrier gas grown by metal-organic chemical vapor deposition

Science.gov (United States)

Chen, Fu; Sun, Shichuang; Deng, Xuguang; Fu, Kai; Yu, Guohao; Song, Liang; Hao, Ronghui; Fan, Yaming; Cai, Yong; Zhang, Baoshun

2017-12-01

In this letter, high-resistivity unintentionally carbon-doped GaN layers with sheet resistivity greater than 106 Ω/□ have been grown on c-plane sapphire substrates by metal-organic chemical vapor deposition (MOCVD). We have observed that the growth of GaN nucleation layers (NLs) under N2 ambient leads to a large full width at half maximum (FWHM) of (102) X-ray diffraction (XRD) line in the rocking curve about 1576 arc sec. Unintentional carbon incorporation can be observed in the secondary ion mass spectroscopy (SIMS) measurements. The results demonstrate the self-compensation mechanism is attributed to the increased density of edge-type threading dislocations and carbon impurities. The AlGaN/GaN HEMT grown on the high-resistivity GaN template has also been fabricated, exhibiting a maximum drain current of 478 mA/mm, a peak transconductance of 60.0 mS/mm, an ON/OFF ratio of 0.96×108 and a breakdown voltage of 621 V.

Electrocatalytic reduction of oxygen at vapor phase polymerized ...

African Journals Online (AJOL)

We successfully polymerized poly(3,4-ethylenedioxidethiophene) by vapor phase polymerization technique on rotating glassy carbon disk electrode. The catalytic activity of this electrode towards oxygen reduction reaction was investigated and showed remarkable activity. Rotating disk voltammetry was used to study the ...

The nuclear liquid-vapor phase transition: Equilibrium between phases or free decay in vacuum?

International Nuclear Information System (INIS)

Phair, L.; Moretto, L.G.; Elliott, J.B.; Wozniak, G.J.

2002-01-01

Recent analyses of multifragmentation in terms of Fisher's model and the related construction of a phase diagram brings forth the problem of the true existence of the vapor phase and the meaning of its associated pressure. Our analysis shows that a thermal emission picture is equivalent to a Fisher-like equilibrium description which avoids the problem of the vapor and explains the recently observed Boltzmann-like distribution of the emission times. In this picture a simple Fermi gas thermometric relation is naturally justified. Low energy compound nucleus emission of intermediate mass fragments is shown to scale according to Fisher's formula and can be simultaneously fit with the much higher energy ISiS multifragmentation data

Metalorganic chemical vapor deposition of gallium nitride on sacrificial substrates

Science.gov (United States)

Fenwick, William Edward

GaN-based light emitting diodes (LEDs) face several challenges if the technology is to continue to make a significant impact in general illumination, and on technology that has become known as solid state lighting (SSL). Two of the most pressing challenges for the continued penetration of SSL into traditional lighting applications are efficacy and total lumens from the device, and their related cost. The development of alternative substrate technologies is a promising avenue toward addressing both of these challenges, as both GaN-based device technology and the associated metalorganic chemical vapor deposition (MOCVD) technology are already relatively mature technologies with a well-understood cost base. Zinc oxide (ZnO) and silicon (Si) are among the most promising alternative substrates for GaN epitaxy. These substrates offer the ability to access both higher efficacy and lumen devices (ZnO) at a much reduced cost. This work focuses on the development of MOCVD growth processes to yield high quality GaN-based materials and devices on both ZnO and Si. ZnO is a promising substrate for growth of low defect-density GaN because of its similar lattice constant and thermal expansion coefficient. The major hurdles for GaN growth on ZnO are the instability of the substrate in a hydrogen atmosphere, which is typical of nitride growth conditions, and the inter-diffusion of zinc and oxygen from the substrate into the GaN-based epitaxial layer. A process was developed for the MOCVD growth of GaN and InxGa 1-xN on ZnO that attempted to address these issues. The structural and optical properties of these films were studied using various techniques. X-ray diffraction (XRD) showed the growth of wurtzite GaN on ZnO, and room-temperature photoluminescence (RT-PL) showed near band-edge luminescence from the GaN and InxGa1-xN layers. However, high zinc and oxygen concentrations due to interdiffusion near the ZnO substrate remained an issue; therefore, the diffusion of zinc and oxygen

Vapor-phase biofiltration: Laboratory and field experience

International Nuclear Information System (INIS)

Evans, P.J.; Bourbonais, K.A.; Peterson, L.E.; Lee, J.H.; Laakso, G.L.

1995-01-01

Application of vapor-phase bioreactors (VPBs) to petroleum hydrocarbons is complicated by the different mass transfer characteristics of aliphatics and aromatics. Laboratory- and pilot-scale VPB studies were conducted to evaluate treatment of soil vapor extraction (SVE) off-gas. A mixture of compost, perlite, and activated carbon was the selected medium based on pressure drop, microbial colonization, and adsorption properties. Two different pilot-scale reactors were built with a difference of 70:1 in scale. The smaller VPB's maximum effective elimination capacity (EC) was determined to be 7.2 g m -3 h -1 ; the larger unit's EC was 70% to 80% of this value. Low EC values may be attributable to a combination of mass-transfer and kinetic limitations

Photoluminescence characteristics of low indium composition InGaN thin films grown on sapphire by metalorganic chemical vapor deposition

International Nuclear Information System (INIS)

Feng, Z.C.; Liu, W.; Chua, S.J.; Yu, J.W.; Yang, C.C.; Yang, T.R.; Zhao, J.

2006-01-01

The wavelength shifts in the photoluminescence (PL) from low indium composition (∼ 3%) InGaN epitaxial thin films, grown on sapphire substrates by metalorganic chemical vapour deposition, has been studied by a combination of experiment and theory. As temperature increases from 6 K, the PL peak energy red-shifts very slightly first, then blue-shifts to reach a maximum at near 100 K, and red-shifts again till room temperature. This unique PL behaviour, indicating the existence of the phase separation, is interpreted qualitatively from the spatial variation of band structure due to the In-compositional fluctuation. Theoretical calculation, based upon a model involving the band-tail states in the radiative recombination, explains the experimental data successfully

Phase-field model of vapor-liquid-solid nanowire growth

Science.gov (United States)

Wang, Nan; Upmanyu, Moneesh; Karma, Alain

2018-03-01

We present a multiphase-field model to describe quantitatively nanowire growth by the vapor-liquid-solid (VLS) process. The free-energy functional of this model depends on three nonconserved order parameters that distinguish the vapor, liquid, and solid phases and describe the energetic properties of various interfaces, including arbitrary forms of anisotropic γ plots for the solid-vapor and solid-liquid interfaces. The evolution equations for those order parameters describe basic kinetic processes including the rapid (quasi-instantaneous) equilibration of the liquid catalyst to a droplet shape with constant mean curvature, the slow incorporation of growth atoms at the droplet surface, and crystallization within the droplet. The standard constraint that the sum of the phase fields equals unity and the conservation of the number of catalyst atoms, which relates the catalyst volume to the concentration of growth atoms inside the droplet, are handled via separate Lagrange multipliers. An analysis of the model is presented that rigorously maps the phase-field equations to a desired set of sharp-interface equations for the evolution of the phase boundaries under the constraint of force balance at three-phase junctions (triple points) given by the Young-Herring relation that includes torque term related to the anisotropy of the solid-liquid and solid-vapor interface excess free energies. Numerical examples of growth in two dimensions are presented for the simplest case of vanishing crystalline anisotropy and the more realistic case of a solid-liquid γ plot with cusped minima corresponding to two sets of (10 ) and (11 ) facets. The simulations reproduce many of the salient features of nanowire growth observed experimentally, including growth normal to the substrate with tapering of the side walls, transitions between different growth orientations, and crawling growth along the substrate. They also reproduce different observed relationships between the nanowire growth

Photo-induced current and its degradation in Al{sub 4}C{sub 3}/Al{sub 2}O{sub 3} (0001) grown by metalorganic chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Kim, Dohyung, E-mail: kim@ee.tokushima-u.ac.jp [Graduate School of Advanced Technology and Science, The University of Tokushima, 2-1 Minami-josanjima, Tokushima 770-8506 (Japan); Onishi, Yuya; Oki, Ryuji [Graduate School of Advanced Technology and Science, The University of Tokushima, 2-1 Minami-josanjima, Tokushima 770-8506 (Japan); Sakai, Shiro [Institute of Technology Science, The University of Tokushima, 2-1 Minami-josanjima, Tokushima 770-8506 (Japan)

2014-04-30

Al{sub 4}C{sub 3} layers have been grown on Al{sub 2}O{sub 3} (0001) by metalorganic chemical vapor deposition. Trimethylaluminum and methane were used as source materials for aluminum and carbon, respectively. Depending on the growth conditions, the growth rate was significantly changed. The most suitable growth temperature was 1150 °C. Fresh samples had a yellowish color. Peaks at 32 and 35° observed by 2θ–ω mode X-ray diffraction scans confirmed the presence of hexagonal Al{sub 4}C{sub 3}. Experiments detected photo-induced current (PIC). PIC measured at 30 V dc was observed at Al{sub 4}C{sub 3}/Al{sub 2}O{sub 3} (0001) at the 10 nA scale. PIC in Al{sub 4}C{sub 3} increased with a decrease in the irradiated wavelength. This phenomenon was also observed in absorption coefficient experiments. It was also verified that the electrical conductivity of Al{sub 4}C{sub 3} significantly deteriorated due to oxidation. PIC was also continuously reduced during Al{sub 4}C{sub 3} oxidation. After a certain period of time, it was observed that the Al{sub 4}C{sub 3} layer separated from the Al{sub 2}O{sub 3} (0001) substrate. These results suggest that PIC can be useful in photodetectors that can be used in vacuum or in other gases that do not contain oxygen. - Highlights: • Al{sub 4}C{sub 3} layers had been grown on Al{sub 2}O{sub 3} (0001) by metalorganic chemical vapor deposition. • The growth rate abruptly increased above the temperature of 1100 °C. • Photo-induced current (PIC) was observed when the light was incident of the devices. • PIC was unrelated to the presence of a metal–semiconductor junction. • PIC was decreased during Al{sub 4}C{sub 3} oxidation process.

Hybrid vapor phase-solution phase growth techniques for improved CZT(S,Se) photovoltaic device performance

Energy Technology Data Exchange (ETDEWEB)

Chang, Liang-Yi; Gershon, Talia S.; Haight, Richard A.; Lee, Yun Seog

2016-12-27

A hybrid vapor phase-solution phase CZT(S,Se) growth technique is provided. In one aspect, a method of forming a kesterite absorber material on a substrate includes the steps of: depositing a layer of a first kesterite material on the substrate using a vapor phase deposition process, wherein the first kesterite material includes Cu, Zn, Sn, and at least one of S and Se; annealing the first kesterite material to crystallize the first kesterite material; and depositing a layer of a second kesterite material on a side of the first kesterite material opposite the substrate using a solution phase deposition process, wherein the second kesterite material includes Cu, Zn, Sn, and at least one of S and Se, wherein the first kesterite material and the second kesterite material form a multi-layer stack of the absorber material on the substrate. A photovoltaic device and method of formation thereof are also provided.

Improved crystal quality of a-plane GaN with high- temperature 3-dimensional GaN buffer layers deposited by using metal-organic chemical vapor deposition

International Nuclear Information System (INIS)

Park, Sung Hyun; Moon, Dae Young; Kim, Bum Ho; Kim, Dong Uk; Chang, Ho Jun; Jeon, Heon Su; Yoon, Eui Joon; Joo, Ki Su; You, Duck Jae; Nanishi, Yasushi

2012-01-01

a-plane GaN on r-plane sapphire substrates suffers from high density defects and rough surfaces. To obtain pit-free a-plane GaN by metal-organic chemical vapor deposition, we intentionally grew high-temperature (HT) 3-dimensional (3D) GaN buffer layers on a GaN nucleation layer. The effects of the HT 3D GaN buffer layers on crystal quality and the surface morphology of a-plane GaN were studied. The insertion of a 3D GaN buffer layer with an optimum thickness was found to be an effective method to obtain pit-free a-plane GaN with improved crystalline quality on r-plane sapphire substrates. An a-plane GaN light emitting diode (LED) at an emission wavelength around 480 nm with negligible peak shift was successfully fabricated.

Influence of soil properties on vapor-phase sorption of trichloroethylene

International Nuclear Information System (INIS)

Bekele, Dawit N.; Naidu, Ravi; Chadalavada, Sreenivasulu

2016-01-01

Highlights: • Vapor intrusion is a major exposure pathway for volatile hydrocarbons. • Certainty in transport processes enhances vapor intrusion model precision. • Detailed understanding of vadose zone vapor transport processes save resources. • Vapor sorption near-steady-state conditions at sites may take months or years. • Type of clay fractions equitably affects sorption of trichloroethylene vapor. - Abstract: Current practices in health risk assessment from vapor intrusion (VI) using mathematical models are based on assumptions that the subsurface sorption equilibrium is attained. The time required for sorption to reach near-steady-state conditions at sites may take months or years to achieve. This study investigated the vapor phase attenuation of trichloroethylene (TCE) in five soils varying widely in clay and organic matter content using repacked columns. The primary indicators of TCE sorption were vapor retardation rate (R_t), the time required for the TCE vapor to pass through the soil column, and specific volume of retention (V_R), and total volume of TCE retained in soil. Results show TCE vapor retardation is mainly due to the rapid partitioning of the compound to SOM. However, the specific volume of retention of clayey soils with secondary mineral particles was higher. Linear regression analyses of the SOM and clay fraction with V_R show that a unit increase in clay fraction results in higher sorption of TCE (V_R) than the SOM. However, partitioning of TCE vapor was not consistent with the samples' surface areas but was mainly a function of the type of secondary minerals present in soils.

Influence of soil properties on vapor-phase sorption of trichloroethylene

Energy Technology Data Exchange (ETDEWEB)

Bekele, Dawit N. [Global Center for Environmental Remediation, University of Newcastle, Callaghan, NSW 2308 (Australia); CRC for Contamination Assessment & Remediation of the Environment, Building X (Environmental Sciences Building), University of South Australia, Mawson Lakes, SA 5095 (Australia); Naidu, Ravi, E-mail: Ravi.Naidu@newcastle.edu.au [Global Center for Environmental Remediation, University of Newcastle, Callaghan, NSW 2308 (Australia); CRC for Contamination Assessment & Remediation of the Environment, Building X (Environmental Sciences Building), University of South Australia, Mawson Lakes, SA 5095 (Australia); Chadalavada, Sreenivasulu [Global Center for Environmental Remediation, University of Newcastle, Callaghan, NSW 2308 (Australia); CRC for Contamination Assessment & Remediation of the Environment, Building X (Environmental Sciences Building), University of South Australia, Mawson Lakes, SA 5095 (Australia)

2016-04-05

Highlights: • Vapor intrusion is a major exposure pathway for volatile hydrocarbons. • Certainty in transport processes enhances vapor intrusion model precision. • Detailed understanding of vadose zone vapor transport processes save resources. • Vapor sorption near-steady-state conditions at sites may take months or years. • Type of clay fractions equitably affects sorption of trichloroethylene vapor. - Abstract: Current practices in health risk assessment from vapor intrusion (VI) using mathematical models are based on assumptions that the subsurface sorption equilibrium is attained. The time required for sorption to reach near-steady-state conditions at sites may take months or years to achieve. This study investigated the vapor phase attenuation of trichloroethylene (TCE) in five soils varying widely in clay and organic matter content using repacked columns. The primary indicators of TCE sorption were vapor retardation rate (R{sub t}), the time required for the TCE vapor to pass through the soil column, and specific volume of retention (V{sub R}), and total volume of TCE retained in soil. Results show TCE vapor retardation is mainly due to the rapid partitioning of the compound to SOM. However, the specific volume of retention of clayey soils with secondary mineral particles was higher. Linear regression analyses of the SOM and clay fraction with V{sub R} show that a unit increase in clay fraction results in higher sorption of TCE (V{sub R}) than the SOM. However, partitioning of TCE vapor was not consistent with the samples' surface areas but was mainly a function of the type of secondary minerals present in soils.

Analysis of Vegard’s law for lattice matching In x Al 1−x N to GaN by metalorganic chemical vapor deposition

KAUST Repository

Foronda, Humberto M.

2017-06-19

Coherent InxAl1−xN (x = 0.15 to x = 0.28) films were grown by metalorganic chemical vapor deposition on GaN templates to investigate if the films obey Vegard’s Law by comparing the film stress-thickness product from wafer curvature before and after InxAl1−xN deposition. The In composition and film thickness were verified using atom probe tomography and high resolution X-ray diffraction, respectively. Ex-situ curvature measurements were performed to analyze the curvature before and after the InxAl1−xN deposition. At ∼In0.18Al0.82N, no change in curvature was observed following InAlN deposition; confirming that films of this composition are latticed matched to GaN, obeying Vegard’s law. The relaxed a0- and c0- lattice parameters of InxAl1−xN were experimentally determined and in agreement with lattice parameters predicted by Vegard’s law.

Analysis of Vegard’s law for lattice matching In x Al 1−x N to GaN by metalorganic chemical vapor deposition

KAUST Repository

Foronda, Humberto M.; Mazumder, Baishakhi; Young, Erin C.; Laurent, Matthew A.; Li, Youli; DenBaars, Steven P.; Speck, James S.

2017-01-01

Coherent InxAl1−xN (x = 0.15 to x = 0.28) films were grown by metalorganic chemical vapor deposition on GaN templates to investigate if the films obey Vegard’s Law by comparing the film stress-thickness product from wafer curvature before and after InxAl1−xN deposition. The In composition and film thickness were verified using atom probe tomography and high resolution X-ray diffraction, respectively. Ex-situ curvature measurements were performed to analyze the curvature before and after the InxAl1−xN deposition. At ∼In0.18Al0.82N, no change in curvature was observed following InAlN deposition; confirming that films of this composition are latticed matched to GaN, obeying Vegard’s law. The relaxed a0- and c0- lattice parameters of InxAl1−xN were experimentally determined and in agreement with lattice parameters predicted by Vegard’s law.

MEMS Lubrication by In-Situ Tribochemical Reactions From the Vapor Phase.

Energy Technology Data Exchange (ETDEWEB)

Dugger, Michael Thomas; Asay, David B.; Kim, Seong H.

2008-01-01

Vapor Phase Lubrication (VPL) of silicon surfaces with pentanol has been demonstrated. Two potential show stoppers with respect to application of this approach to real MEMS devices have been investigated. Water vapor was found to reduce the effectiveness of VPL with alcohol for a given alcohol concentration, but the basic reaction mechanism observed in water-free environments is still active, and devices operated much longer in mixed alcohol and water vapor environments than with chemisorbed monolayer lubricants alone. Complex MEMS gear trains were successfully lubricated with alcohol vapors, resulting in a factor of 104 improvement in operating life without failure. Complex devices could be made to fail if operated at much higher frequencies than previously used, and there is some evidence that the observed failure is due to accumulation of reaction products at deeply buried interfaces. However, if hypothetical reaction mechanisms involving heated surfaces are valid, then the failures observed at high frequency may not be relevant to operation at normal frequencies. Therefore, this work demonstrates that VPL is a viable approach for complex MEMS devices in conventional packages. Further study of the VPL reaction mechanisms are recommended so that the vapor composition may be optimized for low friction and for different substrate materials with potential application to conventionally fabricated, metal alloy parts in weapons systems. Reaction kinetics should be studied to define effective lubrication regimes as a function of the partial pressure of the vapor phase constituent, interfacial shear rate, substrate composition, and temperature.

Vaporization study on vanadium monoxide and two-phase mixture of vanadium and vanadium monoxide by mass-spectrometric method

International Nuclear Information System (INIS)

Banchorndhevakul, W.; Matsui, Tsuneo; Naito, Keiji

1986-01-01

The vapor pressures over single phase vanadium monoxide VO 1.022 (s) and the two-phase mixture of vanadium metal (β phase) and vanadium monoxide were measured by mass-spectrometric method in the temperature range of 1,803 ∼ 1,990 and 1,703 ∼ 1,884 K, respectively. The main gas species over both systems were found to be VO(g) and V(g). The vapor pressure of VO(g) over the two-phase mixture of V(s) and VO(s) was a little lower than that over single phase VO(s). The vapor pressure of V(g) over the two-phase mixture was nearly equal to that over single phase. From the vapor pressure data, the enthalpies of vaporization, the enthalpies of formation for VO(g) and V(g) and the dissociation energy of VO(g) were determined. The oxygen partial pressure was calculated as a function of temperature from the vapor pressures of VO(g) and V(g), from which the partial molar enthalpies and entropies of oxygen in both systems were obtained. (author)

Vapor-phase synthesis and characterization of ZnSe nanoparticles

Science.gov (United States)

Sarigiannis, D.; Pawlowski, R. P.; Peck, J. D.; Mountziaris, T. J.; Kioseoglou, G.; Petrou, A.

2002-06-01

Compound semiconductor nanoparticles are an exciting class of materials whose unique optical and electronic properties can be exploited in a variety of applications, including optoelectronics, photovoltaics, and biophotonics. The most common route for synthesizing such nanoparticles has been via liquid-phase chemistry in reverse micelles. This paper discusses a flexible vapor-phase technique for synthesis of crystalline compound semiconductor nanoparticles using gas-phase condensation reactions near the stagnation point of a counterflow jet reactor. ZnSe nanoparticles were formed by reacting vapors of dimethylzinc: triethylamine adduct and hydrogen selenide at 120Torr and room temperature (28°C). No attempt was made to passivate the surface of the particles, which were collected as random aggregates on silicon wafers or TEM grids placed downstream of the reaction zone. Particle characterization using TEM, electron diffraction, Raman and EDAX revealed that the aggregates consisted of polycrystalline ZnSe nanoparticles, almost monodisperse in size (with diameters of ~40nm). The polycrystalline nanoparticles appear to have been formed by coagulation of smaller single-crystalline nanoparticles with characteristic size of 3-5 run.

Microstructural and superconducting properties of high current metal-organic chemical vapor deposition YBa2Cu3O7-δ coated conductor wires

International Nuclear Information System (INIS)

Holesinger, T G; Maiorov, B; Ugurlu, O; Civale, L; Chen, Y; Xiong, X; Xie, Y; Selvamanickam, V

2009-01-01

Metal-organic chemical vapor deposition (MOCVD) on flexible, ion beam assisted deposition MgO templates has been used to produce high critical current density (J c ) (Y,Sm) 1 Ba 2 Cu 3 O y (REBCO) films suitable for use in producing practical high temperature superconducting (HTS) coated conductor wires. Thick films on tape were produced with sequential additions of 0.7 μm of REBCO via a reel-to-reel progression through a custom-designed MOCVD reactor. Multi-pass processing for thick film deposition is critically dependent upon minimizing surface secondary phase formation. Critical currents (I c s) of up to 600 A/cm width (t = 2.8 μm, J c = 2.6 MA cm -2 , 77 K, self-field) were obtained in short lengths of HTS wires. These high performance MOCVD films are characterized by closely spaced (Y,Sm) 2 O 3 nanoparticle layers that may be tilted relative to the film normal and REBCO orientation. Small shifts in the angular dependence of J c in low and intermediate applied magnetic fields can be associated with the tilted nanoparticle layers. Also present in these films were YCuO 2 nanoplates aligned with the YBCO matrix (short dimension perpendicular to the film normal), threading dislocations, and oriented composite defects (OCDs). The latter structures consist of single or multiple a-axis oriented grains coated on each side with insulating (Y,Sm) 2 O 3 or CuO. The OCDs formed a connected network of insulating phases by the end of the fourth pass. Subsequent attempts at adding additional layers did not increase I c . There is an inconsistency between the measured J c and the observed microstructural degradation that occurs with each additional layer, suggesting that previously deposited layers are improving with each repeated reactor pass. These dynamic changes suggest a role for post-processing to optimize superconducting properties of as-deposited films, addressing issues associated with reproducibility and manufacturing yield.

Influence of vapor phase turbulent stress to the onset of slugging in a horizontal pipe

International Nuclear Information System (INIS)

Park, Jee Won

1995-01-01

An influence of the vapor phase turbulent stress(i, e., the two-phase Reynolds stress)to the characteristics of two-phase system in a horizontal pipe has been theoretically investigated. The average two-fluid model has been constituted with closure relations for stratified flow in a horizontal pipe. A vapor phase turbulent stress model for the regular interface geometry has been included. It is found that the second order waves propagate in opposite direction with almost the same speed in the moving frame of reference of the liquid phase velocity. Using the well-posedness limit of the two-phase system, the dispersed-stratified flow regime boundary has been modeled. Two-phase Froude number has been found to be a convenient parameter in quantifying the onset of slugging as a function of the global void fraction. The influence of the vapor phase turbulent stress was found to stabilize the flow stratification. 4 figs., 12 refs. (Author)

Improved thermal lattice Boltzmann model for simulation of liquid-vapor phase change

Science.gov (United States)

Li, Qing; Zhou, P.; Yan, H. J.

2017-12-01

In this paper, an improved thermal lattice Boltzmann (LB) model is proposed for simulating liquid-vapor phase change, which is aimed at improving an existing thermal LB model for liquid-vapor phase change [S. Gong and P. Cheng, Int. J. Heat Mass Transfer 55, 4923 (2012), 10.1016/j.ijheatmasstransfer.2012.04.037]. First, we emphasize that the replacement of ∇ .(λ ∇ T ) /∇.(λ ∇ T ) ρ cV ρ cV with ∇ .(χ ∇ T ) is an inappropriate treatment for diffuse interface modeling of liquid-vapor phase change. Furthermore, the error terms ∂t 0(T v ) +∇ .(T vv ) , which exist in the macroscopic temperature equation recovered from the previous model, are eliminated in the present model through a way that is consistent with the philosophy of the LB method. Moreover, the discrete effect of the source term is also eliminated in the present model. Numerical simulations are performed for droplet evaporation and bubble nucleation to validate the capability of the model for simulating liquid-vapor phase change. It is shown that the numerical results of the improved model agree well with those of a finite-difference scheme. Meanwhile, it is found that the replacement of ∇ .(λ ∇ T ) /∇ .(λ ∇ T ) ρ cV ρ cV with ∇ .(χ ∇ T ) leads to significant numerical errors and the error terms in the recovered macroscopic temperature equation also result in considerable errors.

electrocatalytic reduction of oxygen at vapor phase polymerized poly ...

African Journals Online (AJOL)

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ABSTRACT. We successfully polymerized poly(3,4-ethylenedioxidethiophene) by vapor phase polymerization technique on rotating glassy carbon disk electrode. The catalytic activity of this electrode towards oxygen reduction reaction was investigated and showed remarkable activity. Rotating disk voltammetry was used to ...

Liquid-Vapor Phase Transition: Thermomechanical Theory, Entropy Stable Numerical Formulation, and Boiling Simulations

Science.gov (United States)

2015-05-01

vapor bubbles may generate near blades [40]. This is the phenomenon of cavitation and it is still a limiting factor for ship propeller design. Phase...van der Waals theory with hydrodynamics [39]. The fluid equations based on the van der Waals theory are called the Navier-Stokes-Korteweg equations... cavitating flows, the liquid- vapor phase transition induced by pressure variations. A potential challenge for such a simulation is a proper design of open

Liquid-vapor phase transition upon pressure decrease in the lead-bismuth system

Science.gov (United States)

Volodin, V. N.

2009-11-01

The liquid-vapor phase transitions boundaries were calculated on the basis of the values of vapor pressure of the components in the lead-bismuth system during the stepwise pressure decrease by one order of magnitude from 105 down to 1 Pa. The emergence of azeotropic liquid under pressure lower than 19.3 kPa was ascertained. The emergence of azeotropic mixture near the lead edge of the phase diagram was concluded to be the reason for technological difficulties in the distillation separation of the system into the components in a vacuum.

Spray Chemical Vapor Deposition of CulnS2 Thin Films for Application in Solar Cell Devices

Science.gov (United States)

Hollingsworth, Jennifer A.; Buhro, William E.; Hepp, Aloysius F.; Jenkins. Philip P.; Stan, Mark A.

1998-01-01

Chalcopyrite CuInS2 is a direct band gap semiconductor (1.5 eV) that has potential applications in photovoltaic thin film and photoelectrochemical devices. We have successfully employed spray chemical vapor deposition using the previously known, single-source, metalorganic precursor, (Ph3P)2CuIn(SEt)4, to deposit CuInS2 thin films. Stoichiometric, polycrystalline films were deposited onto fused silica over a range of temperatures (300-400 C). Morphology was observed to vary with temperature: spheroidal features were obtained at lower temperatures and angular features at 400 C. At even higher temperatures (500 C), a Cu-deficient phase, CuIn5S8, was obtained as a single phase. The CuInS2 films were determined to have a direct band gap of ca. 1.4 eV.

Metal-Organic Frameworks for Sensing Applications in the Gas Phase

Directory of Open Access Journals (Sweden)

Sabine Achmann

2009-03-01

Full Text Available Several metal-organic framework (MOF materials were under investigated to test their applicability as sensor materials for impedimetric gas sensors. The materials were tested in a temperature range of 120 °C - 240 °C with varying concentrations of O2, CO2, C3H8, NO, H2, ethanol and methanol in the gas atmosphere and under different test gas humidity conditions. Different sensor configurations were studied in a frequency range of 1 Hz -1 MHz and time-continuous measurements were performed at 1 Hz. The materials did not show any impedance response to O2, CO2, C3H8, NO, or H2 in the gas atmospheres, although for some materials a significant impedance decrease was induced by a change of the ethanol or methanol concentration in the gas phase. Moreover, pronounced promising and reversible changes in the electric properties of a special MOF material were monitored under varying humidity, with a linear response curve at 120 °C. Further investigations were carried out with differently doped MOF materials of this class, to evaluate the influence of special dopants on the sensor effect.

Characterization of InP/GaAs/Si structures grown by atmospheric pressure metalorganic chemical vapor deposition

International Nuclear Information System (INIS)

Pearton, S.J.; Short, K.T.; Macrander, A.T.; Abernathy, C.R.; Mazzi, V.P.; Haegel, N.M.; Al-Jassim, M.M.; Vernon, S.M.; Haven, V.E.

1989-01-01

The thickness dependence of material quality of InP-GaAs-Si structures grown by atmospheric pressure metalorganic chemical vapor deposition was investigated. The InP thickness was varied from 1--4 μm, and that of the GaAs from 0.1--4 μm. For a given thickness of InP, its ion channeling yield and x-ray peak width were essentially independent of the GaAs layer thickness. The InP x-ray peak widths were typically 400--440 arcsec for 4-μm-thick layers grown on GaAs. The GaAs x-ray widths in turn varied from 320--1000 arcsec for layer thicknesses from 0.1--4 μm. Cross-sectional transmission electron microscopy showed high defect densities at both the InP-GaAs and GaAs-Si interfaces. In 4-μm-thick InP layers the average threading dislocation density was in the range (3--8) x 10 8 cm -2 with a stacking fault density within the range (0.4--2) x 10 8 cm 2 . The He + ion channeling yield near the InP surface was similar to that of bulk InP (chi/sub min/∼4%), but rose rapidly toward the InP-GaAs heterointerface where it was typically around 50% for 1-μm-thick InP layers. All samples showed room-temperature luminescence, while at 4.4 K, exciton-related transitions, whose intensity was a function of the InP thickness, were observed

Growth of gallium nitride based devices on silicon(001) substrates by metalorganic vapor phase epitaxy; Wachstum von Galliumnitrid-basierten Bauelementen auf Silizium(001)-Substraten mittels metallorganischer Gasphasenepitaxie

Energy Technology Data Exchange (ETDEWEB)

Reiher, Fabian

2009-02-25

The main topic of this thesis is to investigate GaN-based layer systems grown by metalorganic vapor phase epitaxy on Si(001) substrates. A temperature shift up to 45 K is measured for a complete device structure on a 2-inch silicon substrate. By using a 40 nm thin LT-AlN-seed layer (680 C), the GaN crystallites on Si(001) substrates are almost oriented with their GaN(10 anti 12)-planes parallel to the Si(001)-plane. A four-fold azimuthal symmetry occurs for these layers, with the GaN[10 anti 11]-direction is aligned parallel to one of the four equivalent left angle 110 right angle -directions, respectively. However, a mono-crystalline and fully coalesced GaN-layer with this crystallographic orientation could not yet been obtained. If a deposition temperature of more than 1100 C is used for the AlN-seed layer, solely the GaN[0001]- growth direction of crystallites occurs in the main GaN layer on Si(001) substrates. These c-axis oriented GaN columns feature two opposite azimuthal alignments that are rotated by 90 with respect to each other and with GaN[11 anti 20] parallel Si[110] and GaN[10 anti 10] parallel Si[110], respectively. By using 4 off-oriented substrates towards the Si[110]-direction, one certain azimuthal texture component can be selected. The critical value of the miscut angle corresponds to theoretical calculations predicting the occurrence of atomic double steps on the Si(001) surface. The achieved crystallographic quality of the GaN layers on Si(001) is characterized by having a tilt of FWHM=0.27 and a twist of FWHM=0.8 of the crystallites, determined by X-ray diffraction. A completely crack-free, up to 2.5 {mu}m thick, and mono-crystalline GaN-template can be realized on Si(001), integrating 4 or 5 LT-AlN-interlayers in the GaN buffer structure. Based on this structure, the first successful implementation of an (InGaN/GaN)-LED on Si(001) is achieved. Furthermore, the possible fabrication of GaN-based FET-structures is demonstrated with a fully

Generalized modeling of multi-component vaporization/condensation phenomena for multi-phase-flow analysis

International Nuclear Information System (INIS)

Morita, K.; Fukuda, K.; Tobita, Y.; Kondo, Sa.; Suzuki, T.; Maschek, W.

2003-01-01

A new multi-component vaporization/condensation (V/C) model was developed to provide a generalized model for safety analysis codes of liquid metal cooled reactors (LMRs). These codes simulate thermal-hydraulic phenomena of multi-phase, multi-component flows, which is essential to investigate core disruptive accidents of LMRs such as fast breeder reactors and accelerator driven systems. The developed model characterizes the V/C processes associated with phase transition by employing heat transfer and mass-diffusion limited models for analyses of relatively short-time-scale multi-phase, multi-component hydraulic problems, among which vaporization and condensation, or simultaneous heat and mass transfer, play an important role. The heat transfer limited model describes the non-equilibrium phase transition processes occurring at interfaces, while the mass-diffusion limited model is employed to represent effects of non-condensable gases and multi-component mixture on V/C processes. Verification of the model and method employed in the multi-component V/C model of a multi-phase flow code was performed successfully by analyzing a series of multi-bubble condensation experiments. The applicability of the model to the accident analysis of LMRs is also discussed by comparison between steam and metallic vapor systems. (orig.)

Synthesis of chiral polyaniline films via chemical vapor phase polymerization

DEFF Research Database (Denmark)

Chen, J.; Winther-Jensen, B.; Pornputtkul, Y.

2006-01-01

Electrically and optically active polyaniline films doped with (1)-(-)-10- camphorsulfonic acid were successfully deposited on nonconductive substrates via chemical vapor phase polymerization. The above polyaniline/ R- camphorsulfonate films were characterized by electrochemical and physical...

In situ, subsurface monitoring of vapor-phase TCE using fiber optics

International Nuclear Information System (INIS)

Rossabi, J.; Colston, B. Jr.; Brown, S.; Milanovich, F.; Lee, L.T. Jr.

1993-01-01

A vapor-phase, reagent-based, fiber optic trichloroethylene (TCE) sensor developed by Lawrence Livermore National Laboratory (LLNL) was demonstrated at the Savannah River Site (SRS) in two configurations. The first incorporated the sensor into a down-well instrument bounded by two inflatable packers capable of sealing an area for discrete depth analysis. The second involved an integration of the sensor into the probe tip of the Army Corps of Engineers Waterways Experiment Station (WES) cone penetrometry system. Discrete depth measurements of vapor-phase concentrations of TCE in the vadose zone were successfully made using both configurations. These measurements demonstrate the first successful in situ sensing (as opposed to sampling) of TCE at a field site

Irradiation of fish fillets: Relation of vapor phase reactions to storage quality

Science.gov (United States)

Spinelli, J.; Dollar, A.M.; Wedemeyer, G.A.; Gallagher, E.C.

1969-01-01

Fish fillets irradiated under air, nitrogen, oxygen, or carbon dioxide atmospheres developed rancidlike flavors when they were stored at refrigerated temperatures. Packing and irradiating under vacuum or helium prevented development of off-flavors during storage.Significant quantities of nitrate and oxidizing substances were formed when oxygen, nitrogen, or air were present in the vapor or liquid phases contained in a Pyrex glass model system exposed to ionizing radiation supplied by a 60Co source. It was demonstrated that the delayed flavor changes that occur in stored fish fillets result from the reaction of vapor phase radiolysis products and the fish tissue substrates.

Evidence for extreme partitioning of copper into a magmatic vapor phase

International Nuclear Information System (INIS)

Lowenstern, J.B.; Mahood, G.A.; Rivers, M.L.; Sutton, S.R.

1991-01-01

The discovery of copper sulfides in carbon dioxide- and chlorine-bearing bubbles in phenocryst-hosted melt inclusions shows that copper resides in a vapor phase in some shallow magma chambers. Copper is several hundred times more concentrated in magmatic vapor than in coexisting pantellerite melt. The volatile behavior of copper should be considered when modeling the volcanogenic contribution of metals to the atmosphere and may be important in the formation of copper porphyry ore deposits

Oxygen and minority carrier lifetimes in N-and P-type AL0.2GA0.8AS grown by metal organics vapor phase epitaxy

International Nuclear Information System (INIS)

Zahraman, Khaled; Leroux, M.; Gibart, P.; Zaidi, M.A.; Bremond, G.; Guillot, G.

2000-01-01

author.The minority carrier lifetimes in Al x Ga 1-x As grown by Metal-Organics Vapor Phase Epitaxy (MOVPE) is generally lower than in GaAs. This is believed to be due to oxygen incorporation in the layers. We describe a study of radiative and non radiative minority carriers lifetimes in n-and p-type Al 0.2 Ga 0.8 As as a function of growth parameters, in correlation with oxygen concentration measurements and deep level transient spectroscopy (DLTS) studies. Long non radiative lifetimes and low oxygen contents are achieved using temperature growth. A main minority hole lifetime killer appears to be 0.4 eV deep O related electron trap detected by DLTS at concentrations three orders of magnitude lower than the atomic oxygen one. Record lifetimes in MOVPE grown n-and p-type Al 0.2 Ga 0.8 As are obtained. An Al 0.85 Ga 0.15 As/Al 0.2 Ga 0.8 As surface recombination velocity lower than 4.5x10 3 cm.s -1 is measured

Characterizations of arsenic-doped zinc oxide films produced by atmospheric metal-organic chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Weng, Li-Wei, E-mail: onlyway54@hotmail.com [Department of Electronic Engineering, College of Electrical Engineering and Computer Science, Chung Yuan Christian University, Chung-Li 32023, Taiwan (China); Uen, Wu-Yih, E-mail: uenwuyih@ms37.hinet.net [Department of Electronic Engineering, College of Electrical Engineering and Computer Science, Chung Yuan Christian University, Chung-Li 32023, Taiwan (China); Lan, Shan-Ming; Liao, Sen-Mao [Department of Electronic Engineering, College of Electrical Engineering and Computer Science, Chung Yuan Christian University, Chung-Li 32023, Taiwan (China); Yang, Tsun-Neng; Wu, Chih-Hung; Hong, Hwe-Fen; Ma, Wei-Yang [Institute of Nuclear Energy Research, P.O. Box 3-11, Lungtan 32500, Taiwan (China); Shen, Chin-Chang [Chemical Engineering Division, Institute of Nuclear Energy Research, Longtan Township, Taoyuan 32546, Taiwan (China)

2013-07-15

p-type ZnO films were prepared by atmospheric metal-organic chemical vapor deposition technique using arsine (AsH{sub 3}) as the doping source. The electrical and optical properties of arsenic-doped ZnO (ZnO:As) films fabricated at 450–600 °C with various AsH{sub 3} flow rates ranging from 8 to 21.34 μmol/min were analyzed and compared. Hall measurements indicate that stable p-type ZnO films with hole concentrations varying from 7.2 × 10{sup 15} to 5.8 × 10{sup 18} cm{sup −3} could be obtained. Besides, low temperature (17 K) photoluminescence spectra of all ZnO:As films also demonstrate the dominance of the line related to the neutral acceptor-bound exciton. Moreover, the elemental identity and chemical bonding information for ZnO:As films were examined by X-ray photoelectron spectroscopy. Based on the results obtained, the effects of doping conditions on the mechanism responsible for the p-type conduction were studied. Conclusively, a simple technique to fabricate good-quality p-type ZnO films has been recognized in this work. Depositing the film at 550 °C with an AsH{sub 3} flow rate of 13.72 μmol/min is appropriate for producing hole concentrations on the order of 10{sup 17} cm{sup −3} for it. Ultimately, by increasing the AsH{sub 3} flow rate to 21.34 μmol/min for doping and depositing the film at 600 °C, ZnO:As films with a hole concentration over 5 × 10{sup 18} cm{sup −3} together with a mobility of 1.93 cm{sup 2}V{sup −1} s{sup −1} and a resistivity of 0.494 ohm-cm can be achieved.

Vaporization thermodynamics of Pd-rich intermediate phases in the Pd–Yb system

Energy Technology Data Exchange (ETDEWEB)

Ciccioli, A., E-mail: andrea.ciccioli@uniroma1.it [Dipartimento di Chimica, Sapienza Università di Roma, p.le Aldo Moro 5, 00185 Roma (Italy); Balducci, G.; Gigli, G. [Dipartimento di Chimica, Sapienza Università di Roma, p.le Aldo Moro 5, 00185 Roma (Italy); Provino, A. [Dipartimento di Chimica e Chimica Industriale, Università degli Studi di Genova, via Dodecaneso 31, 16146 Genova (Italy); Istituto SPIN-CNR, Corso Perrone 24, 16152 Genova (Italy); Palenzona, A. [Dipartimento di Chimica e Chimica Industriale, Università degli Studi di Genova, via Dodecaneso 31, 16146 Genova (Italy); Manfrinetti, P. [Dipartimento di Chimica e Chimica Industriale, Università degli Studi di Genova, via Dodecaneso 31, 16146 Genova (Italy); Istituto SPIN-CNR, Corso Perrone 24, 16152 Genova (Italy)

2016-02-20

Highlights: • Vaporization equilibria of Pd–Yb intermediate phases investigated by effusion techniques. • Heats of formation of Pd–Yb compounds determined from decomposition/atomization enthalpies. • Phase diagram of the Pd–Yb system re-drawn. • Influence of the Yb valence state on the thermodynamic properties observed. - Abstract: The vaporization thermodynamics of several intermediate phases in the Pd–Yb system was investigated by means of vaporization experiments performed under Knudsen conditions (KEML, Knudsen Effusion Mass Loss). The following thermal decomposition processes were studied in the overall temperature range 819–1240 K and their enthalpy changes determined: 4 PdYb(s) = Pd{sub 4}Yb{sub 3}(s) + Yb(g); 5/3 Pd{sub 4}Yb{sub 3}(s) = 4/3 Pd{sub 5}Yb{sub 3}(s) + Yb(g); 21/13 Pd{sub 5}Yb{sub 3}(s) = 5/13 Pd{sub 21}Yb{sub 10}(s) + Yb(g); 1/3 Pd{sub 21}Yb{sub 10}(s) = 21/9 Pd{sub 3}Yb(s) + Yb(g). Additional measurements were performed by KEMS (Knudsen Effusion Mass Spectrometry) on a Pd-rich two-phase sample, which allowed to detect both Yb(g) and Pd(g) in the vapor phase and to determine the atomization enthalpy of the Pd{sub 3}Yb phase (Pd-rich composition boundary, Pd{sub 3.08}Yb{sub 0.92}): Pd{sub 3.08}Yb{sub 0.92}(s) = 0.92 Yb(g) + 3.08 Pd(g). The enthalpy of formation of this compound was thereafter determined as −68 ± 2 kJ/mol at. and, by combining this value with the decomposition enthalpies derived by KEML, the enthalpies of formation of the studied Pd–Yb intermediate phases were evaluated (kJ/mol at.): −75 ± 4 (Pd{sub 21}Yb{sub 10}), −75 ± 3 (Pd{sub 5}Yb{sub 3}), −73 ± 3 (Pd{sub 4}Yb{sub 3}), and −66 ± 3 (PdYb). A modified version of the Pd–Yb phase diagram is also reported, re-drawn on the basis of literature data and of new experimental information recently become available.

As-grown deep-level defects in n-GaN grown by metal-organic chemical vapor deposition on freestanding GaN

International Nuclear Information System (INIS)

Chen Shang; Ishikawa, Kenji; Hori, Masaru; Honda, Unhi; Shibata, Tatsunari; Matsumura, Toshiya; Tokuda, Yutaka; Ueda, Hiroyuki; Uesugi, Tsutomu; Kachi, Tetsu

2012-01-01

Traps of energy levels E c -0.26 and E c -0.61 eV have been identified as as-grown traps in n-GaN grown by metal-organic chemical vapor deposition by using deep level transient spectroscopy of the Schottky contacts fabricated by resistive evaporation. The additional traps of E c -0.13 and E c -0.65 eV have been observed in samples whose contacts are deposited by electron-beam evaporation. An increase in concentration of the E c -0.13 and E c -0.65 eV traps when approaching the interface between the contact and the GaN film supports our argument that these traps are induced by electron-beam irradiation. Conversely, the depth profiles of as-grown traps show different profiles between several samples with increased or uniform distribution in the near surface below 50 nm. Similar profiles are observed in GaN grown on a sapphire substrate. We conclude that the growth process causes these large concentrations of as-grown traps in the near-surface region. It is speculated that the finishing step in the growth process should be an essential issue in the investigation of the surface state of GaN.

Strain management of AlGaN-based distributed Bragg reflectors with GaN interlayer grown by metalorganic chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Liu, Yuh-Shiuan; Kao, Tsung-Ting; Mehta, Karan; Jia, Xiao Jia; Shen, Shyh-Chiang; Yoder, P. Douglas; Detchprohm, Theeradetch; Dupuis, Russell D., E-mail: dupuis@gatech.edu [Center for Compound Semiconductors and School of Electrical and Computer Engineering, Georgia Institute of Technology, 777 Atlantic Dr. NW, Atlanta, Georgia 30332-0250 (United States); Wang, Shuo; Xie, Hongen; Ponce, Fernando A. [Department of Physics, Arizona State University, Tempe, Arizona 85287-1504 (United States)

2016-08-22

We report the crack-free growth of a 45-pair Al{sub 0.30}Ga{sub 0.70}N/Al{sub 0.04}Ga{sub 0.96}N distributed Bragg reflector (DBR) on 2 in. diameter AlN/sapphire template by metalorganic chemical vapor deposition. To mitigate the cracking issue originating from the tensile strain of Al{sub 0.30}Ga{sub 0.70}N on GaN, an AlN template was employed in this work. On the other hand, strong compressive strain experienced by Al{sub 0.04}Ga{sub 0.96}N favors 3D island growth, which is undesired. We found that inserting an 11 nm thick GaN interlayer upon the completion of AlN template layer properly managed the strain such that the Al{sub 0.30}Ga{sub 0.70}N/Al{sub 0.04}Ga{sub 0.96}N DBR was able to be grown with an atomically smooth surface morphology. Smooth surfaces and sharp interfaces were observed throughout the structure using high-angle annular dark-field imaging in the STEM. The 45-pair AlGaN-based DBR provided a peak reflectivity of 95.4% at λ = 368 nm with a bandwidth of 15 nm.

Raman scattering temperature measurements for water vapor in nonequilibrium dispersed two-phase flow

International Nuclear Information System (INIS)

Anastasia, C.M.; Neti, S.; Smith, W.R.; Chen, J.C.

1982-09-01

The objective of this investigation was to determine the feasibility of using Raman scattering as a nonintrusive technique to measure vapor temperatures in dispersed two-phase flow. The Raman system developed for this investigation is described, including alignment of optics and optimization of the photodetector for photon pulse counting. Experimentally obtained Raman spectra are presented for the following single- and two-phase samples: liquid water, atmospheric nitrogen, superheated steam, nitrogen and water droplets in a high void fraction air/water mist, and superheated water vapor in nonequilibrium dispersed flow

Thermal stability of an InAlN/GaN heterostructure grown on silicon by metal-organic chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Watanabe, Arata, E-mail: a.watanabe.106@nitech.jp; Freedsman, Joseph J.; Urayama, Yuya; Christy, Dennis [Research Center for Nano Devices and Advanced Materials, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466 8555 (Japan); Egawa, Takashi, E-mail: egawa.takashi@nitech.ac.jp [Research Center for Nano Devices and Advanced Materials, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466 8555 (Japan); Innovation Center for Multi-Business of Nitride Semiconductors, Nagoya Institute of Technology, Gokiso-cho, Showa-ku, Nagoya 466 8555 (Japan)

2015-12-21

The thermal stabilities of metal-organic chemical vapor deposition-grown lattice-matched InAlN/GaN/Si heterostructures have been reported by using slower and faster growth rates for the InAlN barrier layer in particular. The temperature-dependent surface and two-dimensional electron gas (2-DEG) properties of these heterostructures were investigated by means of atomic force microscopy, photoluminescence excitation spectroscopy, and electrical characterization. Even at the annealing temperature of 850 °C, the InAlN layer grown with a slower growth rate exhibited a smooth surface morphology that resulted in excellent 2-DEG properties for the InAlN/GaN heterostructure. As a result, maximum values for the drain current density (I{sub DS,max}) and transconductance (g{sub m,max}) of 1.5 A/mm and 346 mS/mm, respectively, were achieved for the high-electron-mobility transistor (HEMT) fabricated on this heterostructure. The InAlN layer grown with a faster growth rate, however, exhibited degradation of the surface morphology at an annealing temperature of 850 °C, which caused compositional in-homogeneities and impacted the 2-DEG properties of the InAlN/GaN heterostructure. Additionally, an HEMT fabricated on this heterostructure yielded lower I{sub DS,max} and g{sub m,max} values of 1 A/mm and 210 mS/mm, respectively.

Reduced thermal budget processing of Y--Ba--Cu--O high temperature superconducting thin films by metalorganic chemical vapor deposition

International Nuclear Information System (INIS)

Singh, R.; Sinha, S.; Hsu, N.J.; Ng, J.T.C.; Chou, P.; Thakur, R.P.S.; Narayan, J.

1991-01-01

Metalorganic chemical vapor deposition (MOCVD) has the potential of emerging as a viable technique to fabricate ribbons, tapes, coated wires, and the deposition of films of high temperature superconductors, and related materials. As a reduced thermal budget processing technique, rapid isothermal processing (RIP) based on incoherent radiation as the source of energy can be usefully coupled to conventional MOCVD. In this paper we report on the deposition and characterization of high quality superconducting thin films of Y--Ba--Cu--O (YBCO) on MgO and SrTiO 3 substrates by RIP assisted MOCVD. By using a mixture of N 2 O and O 2 as the oxygen source films deposited initially at 600 degree C for 1 min and then at 740 degree C for 30 min are primarily c-axis oriented and with zero resistance being observed at 84 and 89 K for MgO and SrTiO 3 substrates, respectively. The zero magnetic field current densities at 77 K for MgO and SrTiO 3 substrates are 1.2x10 6 and 1.5x10 6 A/cm 2 , respectively. It is envisaged that high energy photons from the incoherent light source and the use of a mixture of N 2 O and O 2 as the oxygen source, assist chemical reactions and lower overall thermal budget for processing of these films

The influence of liquid/vapor phase change onto the Nusselt number

Science.gov (United States)

Popescu, Elena-Roxana; Colin, Catherine; Tanguy, Sebastien

2017-11-01

In spite of its significant interest in various fields, there is currently a very few information on how an external flow will modify the evaporation or the condensation of a liquid surface. Although most applications involve turbulent flows, the simpler configuration where a laminar superheated or subcooled vapor flow is shearing a saturated liquid interface has still never been solved. Based on a numerical approach, we propose to characterize the interaction between a laminar boundary layer of a superheated or subcooled vapor flow and a static liquid pool at saturation temperature. By performing a full set of simulations sweeping the parameters space, correlations are proposed for the first time on the Nusselt number depending on the dimensionless numbers that characterize both vaporization and condensation. As attended, the Nusselt number decreases or increases in the configurations involving respectively vaporization or condensation. More unexpected is the behaviour of the friction of the vapor flow on the liquid pool, for which we report that it is weakly affected by the phase change, despite the important variation of the local flow structure due to evaporation or condensation.

Dislocation confinement in the growth of Na flux GaN on metalorganic chemical vapor deposition-GaN

International Nuclear Information System (INIS)

Takeuchi, S.; Asazu, H.; Nakamura, Y.; Sakai, A.; Imanishi, M.; Imade, M.; Mori, Y.

2015-01-01

We have demonstrated a GaN growth technique in the Na flux method to confine c-, (a+c)-, and a-type dislocations around the interface between a Na flux GaN crystal and a GaN layer grown by metalorganic chemical vapor deposition (MOCVD) on a (0001) sapphire substrate. Transmission electron microscopy (TEM) clearly revealed detailed interface structures and dislocation behaviors that reduced the density of vertically aligned dislocations threading to the Na flux GaN surface. Submicron-scale voids were formed at the interface above the dislocations with a c component in MOCVD-GaN, while no such voids were formed above the a-type dislocations. The penetration of the dislocations with a c component into Na flux GaN was, in most cases, effectively blocked by the presence of the voids. Although some dislocations with a c component in the MOCVD-GaN penetrated into the Na flux GaN, their propagation direction changed laterally through the voids. On the other hand, the a-type dislocations propagated laterally and collectively near the interface, when these dislocations in the MOCVD-GaN penetrated into the Na flux GaN. These results indicated that the dislocation propagation behavior was highly sensitive to the type of dislocation, but all types of dislocations were confined to within several micrometers region of the Na flux GaN from the interface. The cause of void formation, the role of voids in controlling the dislocation behavior, and the mechanism of lateral and collective dislocation propagation are discussed on the basis of TEM results

Modelling and numerical simulation of liquid-vapor phase transitions

International Nuclear Information System (INIS)

Caro, F.

2004-11-01

This work deals with the modelling and numerical simulation of liquid-vapor phase transition phenomena. The study is divided into two part: first we investigate phase transition phenomena with a Van Der Waals equation of state (non monotonic equation of state), then we adopt an alternative approach with two equations of state. In the first part, we study the classical viscous criteria for selecting weak solutions of the system used when the equation of state is non monotonic. Those criteria do not select physical solutions and therefore we focus a more recent criterion: the visco-capillary criterion. We use this criterion to exactly solve the Riemann problem (which imposes solving an algebraic scalar non linear equation). Unfortunately, this step is quite costly in term of CPU which prevent from using this method as a ground for building Godunov solvers. That is why we propose an alternative approach two equations of state. Using the least action principle, we propose a phase changing two-phase flow model which is based on the second thermodynamic principle. We shall then describe two equilibrium submodels issued from the relaxations processes when instantaneous equilibrium is assumed. Despite the weak hyperbolicity of the last sub-model, we propose stable numerical schemes based on a two-step strategy involving a convective step followed by a relaxation step. We show the ability of the system to simulate vapor bubbles nucleation. (author)

Comparison of cryopreserved human sperm in vapor and liquid phases of liquid nitrogen: effect on motility parameters, morphology, and sperm function.

Science.gov (United States)

Punyatanasakchai, Piyaphan; Sophonsritsuk, Areephan; Weerakiet, Sawaek; Wansumrit, Surapee; Chompurat, Deonthip

2008-11-01

To compare the effects of cryopreserved sperm in vapor and liquid phases of liquid nitrogen on sperm motility, morphology, and sperm function. Experimental study. Andrology laboratory at Ramathibodi Hospital, Thailand. Thirty-eight semen samples with normal motility and sperm count were collected from 38 men who were either patients of an infertility clinic or had donated sperm for research. Each semen sample was divided into two aliquots. Samples were frozen with static-phase vapor cooling. One aliquot was plunged into liquid nitrogen (-196 degrees C), and the other was stored in vapor-phase nitrogen (-179 degrees C) for 3 days. Thawing was performed at room temperature. Motility was determined by using computer-assisted semen analysis, sperm morphology was determined by using eosin-methylene blue staining, and sperm function was determined by using a hemizona binding test. Most of the motility parameters of sperm stored in the vapor phase were not significantly different from those stored in the liquid phase of liquid nitrogen, except in amplitude of lateral head displacement. The percentages of normal sperm morphology in both vapor and liquid phases also were not significantly different. There was no significant difference in the number of bound sperm in hemizona between sperm cryopreserved in both vapor and liquid phases of liquid nitrogen. Cryopreservation of human sperm in a vapor phase of liquid nitrogen was comparable to cryopreservation in a liquid phase of liquid nitrogen.

Vapor phase carbonylation of dimethyl ether and methyl acetate with supported transition metal catalysts

International Nuclear Information System (INIS)

Shikada, T.; Fujimoto, K.; Tominaga, H.O.

1986-01-01

The synthesis of acetic acid (AcOH) from methanol (MeOH) and carbon monoxide has been performed industrially in the liquid phase using a rhodium complex catalyst and an iodide promoter. The selectivity to AcOH is more than 99% under mild conditions (175 0 C, 28 atm). The homogeneous rhodium catalyst has been also effective for the synthesis of acetic anhydride (Ac 2 O) by carbonylation of dimethyl ether (DME) or methyl acetate (AcOMe). However, rhodium is one of the most expensive metals and its proved reserves are quite limited. It is highly desired, therefore, to develop a new catalyst as a substitute for rhodium. The authors have already reported that nickel supported on active carbon exhibits an excellent activity for the vapor phase carbonylation of MeOh in the presence of iodide promoter and under moderately pressurized conditions. In addition, corrosive attack on reactors by iodide compounds is expected to be negligible in the vapor phase system. In the present work, vapor phase carbonylation of DME and AcOMe on nickel-active carbon (Ni/A.C.) and molybdenum-active carbon (Mo/A.C.) catalysts was studied

Microstructural and superconducting properties of high current metal-organic chemical vapor deposition YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} coated conductor wires

Energy Technology Data Exchange (ETDEWEB)

Holesinger, T G; Maiorov, B; Ugurlu, O; Civale, L [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Chen, Y; Xiong, X; Xie, Y; Selvamanickam, V [SuperPower, Inc., Schenectady, NY 12304 (United States)

2009-04-15

Metal-organic chemical vapor deposition (MOCVD) on flexible, ion beam assisted deposition MgO templates has been used to produce high critical current density (J{sub c}) (Y,Sm){sub 1}Ba{sub 2}Cu{sub 3}O{sub y} (REBCO) films suitable for use in producing practical high temperature superconducting (HTS) coated conductor wires. Thick films on tape were produced with sequential additions of 0.7 {mu}m of REBCO via a reel-to-reel progression through a custom-designed MOCVD reactor. Multi-pass processing for thick film deposition is critically dependent upon minimizing surface secondary phase formation. Critical currents (I{sub c}s) of up to 600 A/cm width (t = 2.8 {mu}m, J{sub c} = 2.6 MA cm{sup -2}, 77 K, self-field) were obtained in short lengths of HTS wires. These high performance MOCVD films are characterized by closely spaced (Y,Sm){sub 2}O{sub 3} nanoparticle layers that may be tilted relative to the film normal and REBCO orientation. Small shifts in the angular dependence of J{sub c} in low and intermediate applied magnetic fields can be associated with the tilted nanoparticle layers. Also present in these films were YCuO{sub 2} nanoplates aligned with the YBCO matrix (short dimension perpendicular to the film normal), threading dislocations, and oriented composite defects (OCDs). The latter structures consist of single or multiple a-axis oriented grains coated on each side with insulating (Y,Sm){sub 2}O{sub 3} or CuO. The OCDs formed a connected network of insulating phases by the end of the fourth pass. Subsequent attempts at adding additional layers did not increase I{sub c}. There is an inconsistency between the measured J{sub c} and the observed microstructural degradation that occurs with each additional layer, suggesting that previously deposited layers are improving with each repeated reactor pass. These dynamic changes suggest a role for post-processing to optimize superconducting properties of as-deposited films, addressing issues associated with

Liquid and vapor phase fluids visualization using an exciplex chemical sensor

International Nuclear Information System (INIS)

Kim, Jong Uk; Kim, Guang Hoon; Kim, Chang Bum; Suk, Hyyong

2001-01-01

Two dimensional slices of the cross-sectional distributions of fuel images in the combustion chamber were visualized quantitatively using a laser-induced exciplex (excited state complex) fluorescence technique. A new exciplex visualization system consisting of 5%DMA (N, N-dimethylaniline) · 5%1, 4,6-TMN (trimethylnaphthalene) in 90% isooctane (2,2,4-trimethylpentane) fuel was employed. In this method, the vapor phase was tagged by the monomer fluorescence while the liquid phase was tracked by the red-shifted exciplex fluorescence with good spectral and spatial resolution. The direct calibration of the fluorescence intensity as a function of the fluorescing dopant concentrations then permitted the determination of quantitative concentration maps of liquid and vapor phases in the fuel. The 308 nm (XeCl) line of the excimer laser was used to excite the doped molecules in the fuel and the resulting fluorescence images were obtained with an ICCD detector as a function time. In this paper, the spectroscopy of the exciplex chemical sensors as well as the optical diagnostic method of the fluid distribution is discussed in detail.

Finite size and Coulomb corrections: from nuclei to nuclear liquid vapor phase diagram

International Nuclear Information System (INIS)

Moretto, L.G.; Elliott, J.B.; Phair, L.

2003-01-01

In this paper we consider the problem of obtaining the infinite symmetric uncharged nuclear matter phase diagram from a thermal nuclear reaction. In the first part we shall consider the Coulomb interaction which, because of its long range makes the definition of phases problematic. This Coulomb effect seems truly devastating since it does not allow one to define nuclear phase transitions much above A ∼ 30. However there may be a solution to this difficulty. If we consider the emission of particles with a sizable charge, we notice that a large Coulomb barrier Bc is present. For T << Bc these channels may be considered effectively closed. Consequently the unbound channels may not play a role on a suitably short time scale. Then a phase transition may still be definable in an approximate way. In the second part of the article we shall deal with the finite size problem by means of a new method, the complement method, which shall permit a straightforward extrapolation to the infinite system. The complement approach consists of evaluating the change in free energy occurring when a particle or cluster is moved from one (finite) phase to another. In the case of a liquid drop in equilibrium with its vapor, this is done by extracting a vapor particle of any given size from the drop and evaluating the energy and entropy changes associated with both the vapor particle and the residual liquid drop (complement)

Selective growth of Ge1- x Sn x epitaxial layer on patterned SiO2/Si substrate by metal-organic chemical vapor deposition

Science.gov (United States)

Takeuchi, Wakana; Washizu, Tomoya; Ike, Shinichi; Nakatsuka, Osamu; Zaima, Shigeaki

2018-01-01

We have investigated the selective growth of a Ge1- x Sn x epitaxial layer on a line/space-patterned SiO2/Si substrate by metal-organic chemical vapor deposition. We examined the behavior of a Sn precursor of tributyl(vinyl)tin (TBVSn) during the growth on Si and SiO2 substrates and investigated the effect of the Sn precursor on the selective growth. The selective growth of the Ge1- x Sn x epitaxial layer was performed under various total pressures and growth temperatures of 300 and 350 °C. The selective growth of the Ge1- x Sn x epitaxial layer on the patterned Si region is achieved at a low total pressure without Ge1- x Sn x growth on the SiO2 region. In addition, we found that the Sn content in the Ge1- x Sn x epitaxial layer increases with width of the SiO2 region for a fixed Si width even with low total pressure. To control the Sn content in the selective growth of the Ge1- x Sn x epitaxial layer, it is important to suppress the decomposition and migration of Sn and Ge precursors.

Fast Growth of GaN Epilayers via Laser-Assisted Metal-Organic Chemical Vapor Deposition for Ultraviolet Photodetector Applications.

Science.gov (United States)

Rabiee Golgir, Hossein; Li, Da Wei; Keramatnejad, Kamran; Zou, Qi Ming; Xiao, Jun; Wang, Fei; Jiang, Lan; Silvain, Jean-François; Lu, Yong Feng

2017-06-28

In this study, we successfully developed a carbon dioxide (CO 2 )-laser-assisted metal-organic chemical vapor deposition (LMOCVD) approach to fast synthesis of high-quality gallium nitride (GaN) epilayers on Al 2 O 3 [sapphire(0001)] substrates. By employing a two-step growth procedure, high crystallinity and smooth GaN epilayers with a fast growth rate of 25.8 μm/h were obtained. The high crystallinity was confirmed by a combination of techniques, including X-ray diffraction, Raman spectroscopy, transmission electron microscopy, and atomic force microscopy. By optimizing growth parameters, the ∼4.3-μm-thick GaN films grown at 990 °C for 10 min showed a smooth surface with a root-mean-square surface roughness of ∼1.9 nm and excellent thickness uniformity with sharp GaN/substrate interfaces. The full-width at half-maximum values of the GaN(0002) X-ray rocking curve of 313 arcsec and the GaN(101̅2) X-ray rocking curve of 390 arcsec further confirmed the high crystallinity of the GaN epilayers. We also fabricated ultraviolet (UV) photodetectors based on the as-grown GaN layers, which exhibited a high responsivity of 0.108 A W -1 at 367 nm and a fast response time of ∼125 ns, demonstrating its high optical quality with potential in optoelectronic applications. Our strategy thus provides a simple and cost-effective means toward fast and high-quality GaN heteroepitaxy growth suitable for fabricating high-performance GaN-based UV detectors.

Solid State Transmitters for Water Vapor and Ozone DIAL Systems, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — The focus of this Select Phase II program is to build and deliver laser components both for airborne water vapor and ozone DIAL systems. Specifically, Fibertek...

Overview: Homogeneous nucleation from the vapor phase-The experimental science.

Science.gov (United States)

Wyslouzil, Barbara E; Wölk, Judith

2016-12-07

Homogeneous nucleation from the vapor phase has been a well-defined area of research for ∼120 yr. In this paper, we present an overview of the key experimental and theoretical developments that have made it possible to address some of the fundamental questions first delineated and investigated in C. T. R. Wilson's pioneering paper of 1897 [C. T. R. Wilson, Philos. Trans. R. Soc., A 189, 265-307 (1897)]. We review the principles behind the standard experimental techniques currently used to measure isothermal nucleation rates, and discuss the molecular level information that can be extracted from these measurements. We then highlight recent approaches that interrogate the vapor and intermediate clusters leading to particle formation, more directly.

Loading of Two Related Metal-Organic Frameworks (MOFs, [Cu2(bdc2(dabco] and [Cu2(ndc2(dabco], with Ferrocene

Directory of Open Access Journals (Sweden)

Wolfgang Wenzel

2011-09-01

Full Text Available We have studied the loading of two related, similar porous metal-organic frameworks (MOFs [Cu2(bdc2(dabco] (1, and [Cu2(ndc2(dabco] (2 with ferrocene by exposing bulk powder samples to the corresponding vapor. On the basis of powder X-ray diffraction data and molecular dynamics (MD calculations we propose that each pore can store one ferrocene molecule. Despite the rather pronounced similarity of the two MOFs a quite different behavior is observed, for 1 loading with ferrocene leads to an anisotropic 1% contraction, whereas for 2 no deformation is observed. Mössbauer spectroscopy studies reveal that the Fe oxidation level remains unchanged during the process. Time dependent studies reveal that the diffusion constant governing the loading from the gas-phase for 1 is approximately three times larger than the value for 2.

Colorimetric Detection of Water Vapor Using Metal-Organic Framework Composites.

Energy Technology Data Exchange (ETDEWEB)

Allendorf, Mark D. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-12-01

Purpose: Water vapor trapped in encapsulation materials or enclosed volumes leads to corrosion issues for critical NW components. Sandia National Laboratories has created a new diagnostic to indicate the presence of water in weapon systems. Impact: Component exposure to water now can be determined instantly, without need for costly, time-consuming analytical methods.

A tri-metal centered metal-organic framework for solid-phase microextraction of environmental contaminants with enhanced extraction efficiency

International Nuclear Information System (INIS)

Liu, Shuqin; Xie, Lijun; Hu, Qingkun; Yang, Huangsheng; Pan, Guanrui; Zhu, Fang; Yang, Shenghong; Ouyang, Gangfeng

2017-01-01

This study presents the preparation and the characterizations of six tri-metal centered metal-organic frameworks (tM-MOFs) as solid-phase microextraction (SPME) adsorbents. Possessing different proportions of Al, Ga and In atoms in their frameworks, the tM-MOF-based SPME coatings exhibited different extraction performance towards the organic pollutants. Extraction results showed that the M4 (Al 0.593 Ga 0.167 In 0.240 (O 2 C 2 H 4 )(h 2 fipbb)) coating exhibited the best enrichment ability among six tM-MOFs. In addition, it showed better extraction efficiency towards the analytes than three single-metal centered MOFs coatings and a commercial polydimethylsiloxane (PDMS) coating. The adsorption process of the M4 coating was physical adsorption and it was mainly affected by the diffusion process of the compound from the sample to the material, which is the same with the adsorption processes of the single-metal centered MOFs coatings. Under optimal conditions (extraction time, 3 min; NaCl concentration, 25% (w/v); desorption temperature, 270 °C; extraction temperature, 30 °C), the M4 coating achieved low detection limits (0.13–0.88 ng L −1 ) and good linearity (5–2000 and 5–5000 ng L −1 ) for benzene series compounds. The repeatabilities (n = 5) for single fiber were between 4.3 and 8.1%, while the reproducibilities (n = 3) of fiber-to-fiber were in the range of 7.9–12.7%. Finally, a M4 coated SPME fiber was successfully applied to the analysis of environmental water samples with satisfactory recoveries (80.8%–119.5%). - Highlights: • Six tri-metal centered metal-organic frameworks were synthesized and characterized. • Novel SPME fibers were fabricated with silicone sealant film and tri-metal centered metal-organic frameworks crystals. • The self-made fiber exhibited excellent extraction performance to organic pollutants. • The self-made fiber was used for analysis of benzene series compounds in environmental water samples.

Vapor-phase infrared laser spectroscopy: from gas sensing to forensic urinalysis.

Science.gov (United States)

Bartlome, Richard; Rey, Julien M; Sigrist, Markus W

2008-07-15

Numerous gas-sensing devices are based on infrared laser spectroscopy. In this paper, the technique is further developed and, for the first time, applied to forensic urinalysis. For this purpose, a difference frequency generation laser was coupled to an in-house-built, high-temperature multipass cell (HTMC). The continuous tuning range of the laser was extended to 329 cm(-1) in the fingerprint C-H stretching region between 3 and 4 microm. The HTMC is a long-path absorption cell designed to withstand organic samples in the vapor phase (Bartlome, R.; Baer, M.; Sigrist, M. W. Rev. Sci. Instrum. 2007, 78, 013110). Quantitative measurements were taken on pure ephedrine and pseudoephedrine vapors. Despite featuring similarities, the vapor-phase infrared spectra of these diastereoisomers are clearly distinguishable with respect to a vibrational band centered at 2970.5 and 2980.1 cm(-1), respectively. Ephedrine-positive and pseudoephedrine-positive urine samples were prepared by means of liquid-liquid extraction and directly evaporated in the HTMC without any preliminary chromatographic separation. When 10 or 20 mL of ephedrine-positive human urine is prepared, the detection limit of ephedrine, prohibited in sports as of 10 microg/mL, is 50 or 25 microg/mL, respectively. The laser spectrometer has room for much improvement; its potential is discussed with respect to doping agents detection.

Hydride vapor phase epitaxy growth of GaN, InGaN, ScN, and ScAIN

NARCIS (Netherlands)

Bohnen, T.

2010-01-01

Chemical vapor deposition (CVD); hydride vapor phase epitaxy (HVPE); gallium nitride (GaN); indium gallium nitride (InGaN); scandium nitride (ScN); scandium aluminum nitride (ScAlN); semiconductors; thin films; nanowires; III nitrides; crystal growth - We studied the HVPE growth of different III

Organic vapor phase composition of sidestream and environmental tobacco smoke from cigarettes

International Nuclear Information System (INIS)

Higgins, C.E.; Jenkins, R.A.; Guerin, M.R.

1987-01-01

Environmental tobacco smoke (ETS) has received considerable attention because of its contribution to indoor air pollution. While some studies have attempted to estimate the exposure of humans to ETS constituents by extrapolating from information gleaned from investigations of sidestream smoke (SS), few studies have reported a direct comparison between the composition of SS and that of ETS. In the study reported here, the authors describe the relative compositional similarities and differences between the vapor phase of SS and that of ETS. SS was generated under different conditions. Both a new laminar flow chamber, which prevents significant alteration of the near-cigarette environment, and a modified Neurath chamber were used for SS generation. ETS samples were collected from an office environment. Vapor phase samples were collected on multi-media resin sorbent traps and analyzed using thermal desorption gas/liquid chromatography employing flame ionization, nitrogen-specific, and mass selective detection. Influences on the compositional profiles by the manner in which the SS is generated are described, as well as the differences between SS and ETS composition resulting from phase transition

Nonpolar a-plane GaN grown on r-plane sapphire using multilayer AlN buffer by metalorganic chemical vapor deposition

International Nuclear Information System (INIS)

Chiang, C.H.; Chen, K.M.; Wu, Y.H.; Yeh, Y.S.; Lee, W.I.; Chen, J.F.; Lin, K.L.; Hsiao, Y.L.; Huang, W.C.; Chang, E.Y.

2011-01-01

Mirror-like and pit-free non-polar a-plane (1 1 -2 0) GaN films are grown on r-plane (1 -1 0 2) sapphire substrates using metalorganic chemical vapor deposition (MOCVD) with multilayer high-low-high temperature AlN buffer layers. The buffer layer structure and film quality are essential to the growth of a flat, crack-free and pit-free a-plane GaN film. The multilayer AlN buffer structure includes a thin low-temperature-deposited AlN (LT-AlN) layer inserted into the high-temperature-deposited AlN (HT-AlN) layer. The results demonstrate that the multilayer AlN buffer structure can improve the surface morphology of the upper a-plane GaN film. The grown multilayer AlN buffer structure reduced the tensile stress on the AlN buffer layers and increased the compressive stress on the a-plane GaN film. The multilayer AlN buffer structure markedly improves the surface morphology of the a-plane GaN film, as revealed by scanning electron microscopy. The effects of various growth V/III ratios was investigated to obtain a-plane GaN films with better surface morphology. The mean roughness of the surface was 1.02 nm, as revealed by atomic force microscopy. Accordingly, the multilayer AlN buffer structure improves the surface morphology and facilitates the complete coalescence of the a-plane GaN layer.

Solid-phase extraction with the metal-organic framework MIL-101(Cr) combined with direct analysis in real time mass spectrometry for the fast analysis of triazine herbicides.

Science.gov (United States)

Li, Xianjiang; Xing, Jiawei; Chang, Cuilan; Wang, Xin; Bai, Yu; Yan, Xiuping; Liu, Huwei

2014-06-01

MIL-101(Cr) is an excellent metal-organic framework with high surface area and nanoscale cavities, making it promising in solid-phase extraction. Herein, we used MIL-101(Cr) as a solid-phase extraction packing material combined with fast detection of direct analysis in real time mass spectrometry (DART-MS) for the analysis of triazine herbicides. After systematic optimization of the operation parameters, including the gas temperature of DART, the moving speed of the 1D platform, solvent for desorption, amount of MIL-101(Cr) extraction time, eluent volume and salt concentration, this method can realize the simultaneous detection of five kinds of triazine herbicides. The limits of detection were 0.1∼0.2 ng/mL and the linear ranges covered more than two orders of magnitude with the quantitation limits of 0.5∼1 ng/mL. Moreover, the developed method has been applied for the analysis of lake water samples and the recoveries for spiked analytes were in the range of 85∼110%. These results showed that solid-phase extraction with metal-organic frameworks is an efficient sample preparation approach for DART-MS analysis and could find more applications in environmental analysis. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Phase Equilibrium of TiO2 Nanocrystals in Flame-Assisted Chemical Vapor Deposition.

Science.gov (United States)

Liu, Changran; Camacho, Joaquin; Wang, Hai

2018-01-19

Nano-scale titanium oxide (TiO 2 ) is a material useful for a wide range of applications. In a previous study, we showed that TiO 2 nanoparticles of both rutile and anatase crystal phases could be synthesized over the size range of 5 to 20 nm in flame-assisted chemical vapor deposition. Rutile was unexpectedly dominant in oxygen-lean synthesis conditions, whereas anatase is the preferred phase in oxygen-rich gases. The observation is in contrast to the 14 nm rutile-anatase crossover size derived from the existing crystal-phase equilibrium model. In the present work, we made additional measurements over a wider range of synthesis conditions; the results confirm the earlier observations. We propose an improved model for the surface energy that considers the role of oxygen desorption at high temperatures. The model successfully explains the observations made in the current and previous work. The current results provide a useful path to designing flame-assisted chemical vapor deposition of TiO 2 nanocrystals with controllable crystal phases. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spectrally resolved modal characteristics of leaky-wave-coupled quantum cascade phase-locked laser arrays

Science.gov (United States)

Sigler, Chris; Gibson, Ricky; Boyle, Colin; Kirch, Jeremy D.; Lindberg, Donald; Earles, Thomas; Botez, Dan; Mawst, Luke J.; Bedford, Robert

2018-01-01

The modal characteristics of nonresonant five-element phase-locked arrays of 4.7-μm emitting quantum cascade lasers (QCLs) have been studied using spectrally resolved near- and far-field measurements and correlated with results of device simulation. Devices are fabricated by a two-step metal-organic chemical vapor deposition process and operate predominantly in an in-phase array mode near threshold, although become multimode at higher drive levels. The wide spectral bandwidth of the QCL's core region is found to be a factor in promoting multispatial-mode operation at high drive levels above threshold. An optimized resonant-array design is identified to allow sole in-phase array-mode operation to high drive levels above threshold, and indicates that for phase-locked laser arrays full spatial coherence to high output powers does not require full temporal coherence.

Vapor-deposited non-crystalline phase vs ordinary glasses and supercooled liquids: Subtle thermodynamic and kinetic differences

International Nuclear Information System (INIS)

Bhattacharya, Deepanjan; Sadtchenko, Vlad

2015-01-01

Vapor deposition of molecules on a substrate often results in glassy materials of high kinetic stability and low enthalpy. The extraordinary properties of such glasses are attributed to high rates of surface diffusion during sample deposition, which makes it possible for constituents to find a configuration of much lower energy on a typical laboratory time scale. However, the exact nature of the resulting phase and the mechanism of its formation are not completely understood. Using fast scanning calorimetry technique, we show that out-of-equilibrium relaxation kinetics and possibly the enthalpy of vapor-deposited films of toluene and ethylbenzene, archetypical fragile glass formers, are distinct from those of ordinary supercooled phase even when the deposition takes place at temperatures above the ordinary glass softening transition temperatures. These observations along with the absolute enthalpy dependences on deposition temperatures support the conjecture that the vapor-deposition may result in formation of non-crystalline phase of unique structural, thermodynamic, and kinetic properties

Self-assembled growth and structural analysis of inclined GaN nanorods on nanoimprinted m-sapphire using catalyst-free metal-organic chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Lee, Kyuseung; Chae, Sooryong; Jang, Jongjin; Min, Daehong; Kim, Jaehwan; Nam, Okhyun, E-mail: ohnam@kpu.ac.kr [Convergence Center for Advanced Nano Semiconductor (CANS), Department of Nano-Optical Engineering, Korea Polytechnic University, Siheung, 15073 (Korea, Republic of)

2016-04-15

In this study, self-assembled inclined (1-10-3)-oriented GaN nanorods (NRs) were grown on nanoimprinted (10-10) m-sapphire substrates using catalyst-free metal-organic chemical vapor deposition. According to X-ray phi-scans, the inclined GaN NRs were tilted at an angle of ∼57.5° to the [10-10]{sub sapp} direction. Specifically, the GaN NRs grew in a single inclined direction to the [11-20]{sub sapp}. Uni-directionally inclined NRs were formed through the one-sided (10-11)-faceted growth of the interfacial a-GaN plane layer. It was confirmed that a thin layer of a-GaN was formed on r-facet nanogrooves of the m-sapphire substrate by nitridation. The interfacial a-GaN nucleation affected both the inclined angle and the growth direction of the inclined GaN NRs. Using X-ray diffraction and selective area electron diffraction, the epitaxial relationship between the inclined (1-10-3) GaN NRs and interfacial a-GaN layer on m-sapphire substrates was systematically investigated. Moreover, the inclined GaN NRs were observed to be mostly free of stacking fault-related defects using high-resolution transmission electron microscopy.

Self-assembled GaN nano-column grown on Si(111) substrate using Au+Ga alloy seeding method by metalorganic chemical vapor deposition

International Nuclear Information System (INIS)

Shim, Byung-Young; Ko, Eun-A; Song, Jae-Chul; Kang, Dong-Hun; Kim, Dong-Wook; Lee, In-Hwan; Kannappan, Santhakumar; Lee, Cheul-Ro

2007-01-01

Single-crystal GaN nano-column arrays were grown on Au-coated silicon (111) substrate by Au-Ga alloy seeding method using metalorganic chemical vapor deposition (MOCVD). The nano-column arrays were studied as a function of growth parameters and Au thin film thickness. The diameter and length of the as-grown nano-column vary from 100 to 500 nm and 4 to 6 μm, respectively. The surface morphology and optical properties of the nano-columns were investigated using scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), cathodoluminescence (CL) and photoluminescence (PL). The Au+Ga alloy droplets were found to be uniformly distributed on silicon surface. Further, SEM image reveals a vertical growth and cylindrical in shape GaN nano-column. The chemical composition of the nano-column, which composed of gallium and nitrogen ions, was estimated by EDX. CL reveals a strong band edge emission from the GaN nano-column. PL spectra show a peak at 365.7 nm with a full-width half maximum (FWHM) of 65 meV which indicates good optical quality GaN nano-column with low dislocation density. Our results suggest that single crystal GaN nano-column can be grown on Au+Ga alloy on silicon substrate with a low dislocation density for better device performances. (author)

Pyrolytic in situ magnetization of metal-organic framework MIL-100 for magnetic solid-phase extraction.

Science.gov (United States)

Huo, Shu-Hui; An, Hai-Yan; Yu, Jing; Mao, Xue-Feng; Zhang, Zhe; Bai, Lei; Huang, Yan-Feng; Zhou, Peng-Xin

2017-09-29

In this study, we report a facile, environmental friendly fabrication of a type of magnetic metal-organic framework (MOF) MIL-100 that can be used for magnetic solid-phase extraction (MSPE). The magnetic MOF composites were fabricated using in situ calcination method. The as-synthesized materials exhibited both high porosity and magnetic characteristics. They used for the MSPE of polycyclic aromatic hydrocarbons (PAHs) from water samples. Such MOF-based magnetic solid-phase extraction in combination with gas chromatography equipped with a flame ionization detector (GC-FID), exhibited wide linearity (0.02-250μgL -1 ), low detection limits (4.6-8.9ngL -1 ), and high enrichment factors (452-907) for PAHs. The relative standard deviations (RSDs) for intra- and inter-day extractions of PAHs were ranging from 1.7% to 9.8% and 3.8% to 9.2%, respectively. The recoveries for spiked PAHs (1μgL -1 ) in water samples were in the range of 88.5% to 106.6%. The results showed that the special anion-π orbital (electron donor-acceptor) interaction and π-π stacking between magnetic MIL-100 and PAHs play an important role in the adsorption of PAHs. Copyright © 2017. Published by Elsevier B.V.

Metalorganic chemical vapor deposition growth and thermal stability of the AlInN/GaN high electron mobility transistor structure

International Nuclear Information System (INIS)

Yu, Hongbo; Ozturk, Mustafa; Demirel, Pakize; Cakmak, Huseyin; Bolukbas, Basar; Caliskan, Deniz; Ozbay, Ekmel

2011-01-01

The Al x In 1−x N barrier high electron mobility transistor (HEMT) structure has been optimized with varied barrier composition and thickness grown by metalorganic chemical vapor deposition. After optimization, a transistor structure comprising a 7 nm thick nearly lattice-matched Al 0.83 In 0.17 N barrier exhibits a sheet electron density of 2.0 × 10 13 cm −2 with a high electron mobility of 1540 cm 2 V −1 s −1 . An Al 0.83 In 0.17 N barrier HEMT device with 1 µm gate length provides a current density of 1.0 A mm −1 at V GS = 0 V and an extrinsic transconductance of 242 mS mm −1 , which are remarkably improved compared to that of a conventional Al 0.3 Ga 0.7 N barrier HEMT. To investigate the thermal stability of the HEMT epi-structures, post-growth annealing experiments up to 800 °C have been applied to Al 0.83 In 0.17 N and Al 0.3 Ga 0.7 N barrier heterostructures. As expected, the electrical properties of an Al 0.83 In 0.17 N barrier HEMT structure showed less stability than that of an Al 0.3 Ga 0.7 N barrier HEMT to the thermal annealing. The structural properties of Al 0.83 In 0.17 N/GaN also showed more evidence for decomposition than that of the Al 0.3 Ga 0.7 N/GaN structure after 800 °C post-annealing

Flows of a Vapor due to Phase Change Processes at the Condensed Phases with Temperature Fields as their Internal Structures

National Research Council Canada - National Science Library

Onishi, Yoshimoto; Ooshida, Takeshi

2005-01-01

Transient to steady motions of a vapor caused by the evaporation and condensation processes occurring at the condensed phases placed in parallel have been studied based on the Boltzmann equation of BGK type...

Waste retrieval sluicing system vapor sampling and analysis plan for evaluation of organic emissions, process test phase III

International Nuclear Information System (INIS)

SASAKI, L.M.

1999-01-01

This sampling and analysis plan identifies characterization objectives pertaining to sample collection, laboratory analytical evaluation, and reporting requirements for vapor samples obtained to address vapor issues related to the sluicing of tank 241-C-106. Sampling will be performed in accordance with Waste Retrieval Sluicing System Emissions Collection Phase III (Jones 1999) and Process Test Plan Phase III, Waste Retrieval Sluicing System Emissions Collection (Powers 1999). Analytical requirements include those specified in Request for Ecology Concurrence on Draft Strategy/Path Forward to Address Concerns Regarding Organic Emissions from C-106 Sluicing Activities (Peterson 1998). The Waste Retrieval Sluicing System was installed to retrieve and transfer high-heat sludge from tank 241-C-106 to tank 241-AY-102, which is designed for high-heat waste storage. During initial sluicing of tank 241-C-106 in November 1998, operations were halted due to detection of unexpected high volatile organic compounds in emissions that exceeded regulatory permit limits. Several workers also reported smelling sharp odors and throat irritation. Vapor grab samples from the 296-C-006 ventilation system were taken as soon as possible after detection; the analyses indicated that volatile and semi-volatile organic compounds were present. In December 1998, a process test (phase I) was conducted in which the pumps in tanks 241-C-106 and 241-AY-102 were operated and vapor samples obtained to determine constituents that may be present during active sluicing of tank 241-C-106. The process test was suspended when a jumper leak was detected. On March 7, 1999, phase I1 of the process test was performed; the sluicing system was operated for approximately 7 hours and was ended using the controlled shutdown method when the allowable amount of solids were transferred to 241-AY-102. The phase II test was successful, however, further testing is required to obtain vapor samples at higher emission levels

Deposition of metal-organic frameworks by liquid-phase epitaxy: The influence of substrate functional group density on film orientation

KAUST Repository

Liu, J.

2012-09-05

The liquid phase epitaxy (LPE) of the metal-organic framework (MOF) HKUST-1 has been studied for three different COOH-terminated templating organic surfaces prepared by the adsorption of self-assembled monolayers (SAMs) on gold substrates. Three different SAMs were used, mercaptohexadecanoic acid (MHDA), 4\\'-carboxyterphenyl-4-methanethiol (TPMTA) and 9-carboxy-10-(mercaptomethyl)triptycene (CMMT). The XRD data demonstrate that highly oriented HKUST-1 SURMOFs with an orientation along the (100) direction was obtained on MHDA-SAMs. In the case of the TPMTA-SAM, the quality of the deposited SURMOF films was found to be substantially inferior. Surprisingly, for the CMMT-SAMs, a different growth direction was obtained; XRD data reveal the deposition of highly oriented HKUST-1 SURMOFs grown along the (111) direction.

Deposition of metal-organic frameworks by liquid-phase epitaxy: The influence of substrate functional group density on film orientation

KAUST Repository

Liu, J.; Shekhah, O.; Stammer, X.; Arslan, H.K.; Liu, B.; Schupbach, B.; Terfort, A.; Woll, C.

2012-01-01

The liquid phase epitaxy (LPE) of the metal-organic framework (MOF) HKUST-1 has been studied for three different COOH-terminated templating organic surfaces prepared by the adsorption of self-assembled monolayers (SAMs) on gold substrates. Three different SAMs were used, mercaptohexadecanoic acid (MHDA), 4'-carboxyterphenyl-4-methanethiol (TPMTA) and 9-carboxy-10-(mercaptomethyl)triptycene (CMMT). The XRD data demonstrate that highly oriented HKUST-1 SURMOFs with an orientation along the (100) direction was obtained on MHDA-SAMs. In the case of the TPMTA-SAM, the quality of the deposited SURMOF films was found to be substantially inferior. Surprisingly, for the CMMT-SAMs, a different growth direction was obtained; XRD data reveal the deposition of highly oriented HKUST-1 SURMOFs grown along the (111) direction.

Deposition of Metal-Organic Frameworks by Liquid-Phase Epitaxy: The Influence of Substrate Functional Group Density on Film Orientation

Science.gov (United States)

Liu, Jinxuan; Shekhah, Osama; Stammer, Xia; Arslan, Hasan K.; Liu, Bo; Schüpbach, Björn; Terfort, Andreas; Wöll, Christof

2012-01-01

The liquid phase epitaxy (LPE) of the metal-organic framework (MOF) HKUST-1 has been studied for three different COOH-terminated templating organic surfaces prepared by the adsorption of self-assembled monolayers (SAMs) on gold substrates. Three different SAMs were used, mercaptohexadecanoic acid (MHDA), 4’-carboxyterphenyl-4-methanethiol (TPMTA) and 9-carboxy-10-(mercaptomethyl)triptycene (CMMT). The XRD data demonstrate that highly oriented HKUST-1 SURMOFs with an orientation along the (100) direction was obtained on MHDA-SAMs. In the case of the TPMTA-SAM, the quality of the deposited SURMOF films was found to be substantially inferior. Surprisingly, for the CMMT-SAMs, a different growth direction was obtained; XRD data reveal the deposition of highly oriented HKUST-1 SURMOFs grown along the (111) direction.

External fuel vaporization study, phase 2

Science.gov (United States)

Szetela, E. J.; Chiappetta, L.

1981-01-01

An analytical study was conducted to evaluate the effect of variations in fuel properties on the design of an external fuel vaporizaton system. The fuel properties that were considered included thermal stability, critical temperature, enthalpy a critical conditions, volatility, and viscosity. The design parameters that were evaluated included vaporizer weight and the impact on engine requirement such as maintenance, transient response, performance, and altitude relight. The baseline fuel properties were those of Jet A. The variation in thermal stability was taken as the thermal stability variation for Experimental Referee Broad Specification (ERBS) fuel. The results of the analysis indicate that a change in thermal stability equivalent to that of ERBS would increase the vaporization system weight by 20 percent, decrease oprating time between cleaning by 40 percent and make altitude relight more difficult. An increase in fuel critical temperature of 39 K would require a 40 percent increase in vaporization system weight. The assumed increase in enthalpy and volatility would also increase vaporizer weight by 40 percent and make altitude relight extremely difficult. The variation in fuel viscosity would have a negligible effect on the design parameters.

Nanoselective area growth of GaN by metalorganic vapor phase epitaxy on 4H-SiC using epitaxial graphene as a mask

International Nuclear Information System (INIS)

Puybaret, Renaud; Jordan, Matthew B.; Voss, Paul L.; Ougazzaden, Abdallah; Patriarche, Gilles; Sundaram, Suresh; El Gmili, Youssef; Salvestrini, Jean-Paul; Heer, Walt A. de; Berger, Claire

2016-01-01

We report the growth of high-quality triangular GaN nanomesas, 30-nm thick, on the C-face of 4H-SiC using nanoselective area growth (NSAG) with patterned epitaxial graphene grown on SiC as an embedded mask. NSAG alleviates the problems of defects in heteroepitaxy, and the high mobility graphene film could readily provide the back low-dissipative electrode in GaN-based optoelectronic devices. A 5–8 graphene-layer film is first grown on the C-face of 4H-SiC by confinement-controlled sublimation of silicon carbide. Graphene is then patterned and arrays of 75-nm-wide openings are etched in graphene revealing the SiC substrate. A 30-nm-thick GaN is subsequently grown by metal organic vapor phase epitaxy. GaN nanomesas grow epitaxially with perfect selectivity on SiC, in the openings patterned through graphene. The up-or-down orientation of the mesas on SiC, their triangular faceting, and cross-sectional scanning transmission electron microscopy show that they are biphasic. The core is a zinc blende monocrystal surrounded with single-crystal wurtzite. The GaN crystalline nanomesas have no threading dislocations or V-pits. This NSAG process potentially leads to integration of high-quality III-nitrides on the wafer scalable epitaxial graphene/silicon carbide platform.

Nanoselective area growth of GaN by metalorganic vapor phase epitaxy on 4H-SiC using epitaxial graphene as a mask

Energy Technology Data Exchange (ETDEWEB)

Puybaret, Renaud; Jordan, Matthew B.; Voss, Paul L.; Ougazzaden, Abdallah, E-mail: aougazza@georgiatech-metz.fr [School of Electrical and Computer Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); CNRS UMI 2958, Georgia Institute of Technology, 2 Rue Marconi, 57070 Metz (France); Patriarche, Gilles [CNRS, Laboratoire de Photonique et de Nanostructures, Route de Nozay, 91460 Marcoussis (France); Sundaram, Suresh; El Gmili, Youssef [CNRS UMI 2958, Georgia Institute of Technology, 2 Rue Marconi, 57070 Metz (France); Salvestrini, Jean-Paul [Université de Lorraine, CentraleSupélec, LMOPS, EA4423, 57070 Metz (France); Heer, Walt A. de [School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); Berger, Claire [School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332 (United States); CNRS, Institut Néel, BP166, 38042 Grenoble Cedex 9 (France)

2016-03-07

We report the growth of high-quality triangular GaN nanomesas, 30-nm thick, on the C-face of 4H-SiC using nanoselective area growth (NSAG) with patterned epitaxial graphene grown on SiC as an embedded mask. NSAG alleviates the problems of defects in heteroepitaxy, and the high mobility graphene film could readily provide the back low-dissipative electrode in GaN-based optoelectronic devices. A 5–8 graphene-layer film is first grown on the C-face of 4H-SiC by confinement-controlled sublimation of silicon carbide. Graphene is then patterned and arrays of 75-nm-wide openings are etched in graphene revealing the SiC substrate. A 30-nm-thick GaN is subsequently grown by metal organic vapor phase epitaxy. GaN nanomesas grow epitaxially with perfect selectivity on SiC, in the openings patterned through graphene. The up-or-down orientation of the mesas on SiC, their triangular faceting, and cross-sectional scanning transmission electron microscopy show that they are biphasic. The core is a zinc blende monocrystal surrounded with single-crystal wurtzite. The GaN crystalline nanomesas have no threading dislocations or V-pits. This NSAG process potentially leads to integration of high-quality III-nitrides on the wafer scalable epitaxial graphene/silicon carbide platform.

R-22 vapor explosions

International Nuclear Information System (INIS)

Anderson, R.P.; Armstrong, D.R.

1977-01-01

Previous experimental and theoretical studies of R-22 vapor explosions are reviewed. Results from two experimental investigations of vapor explosions in a medium scale R-22/water system are reported. Measurements following the drop of an unrestrained mass of R-22 into a water tank demonstrated the existence of two types of interaction behavior. Release of a constrained mass of R-22 beneath the surface of a water tank improved the visual resolution of the system thus allowing identification of two interaction mechansims: at low water temperatures, R-22/water contact would produce immediate violent boiling; at high water temperatures a vapor film formed around its R-22 as it was released, explosions were generated by a surface wave which initiated at a single location and propagated along the vapor film as a shock wave. A new vapor explosion model is proposed, it suggests explosions are the result of a sequence of three independent steps: an initial mixing phase, a trigger and growth phase, and a mature phase where a propagating shock wave accelerates the two liquids into a collapsing vapor layer causing a high velocity impact which finely fragments and intermixes the two liquids

Zeolite-like metal-organic frameworks with ana topology

KAUST Repository

Eddaoudi, Mohamed; Mohideen, Mohamed Infas Haja; Adil, Karim; Belmabkhout, Youssef; Bhatt, Prashant M.; Shekhah, Osama; Chernikova, Valeriya

2017-01-01

Embodiments of the present disclosure describe a zeolite-like metal-organic framework composition comprising a metal-organic framework composition with ana topology characterized by the formula [MIII(4, 5-imidazole dicarboxylic acid)2X

The mechanism of vapor phase hydration of calcium oxide: implications for CO2 capture.

Science.gov (United States)

Kudłacz, Krzysztof; Rodriguez-Navarro, Carlos

2014-10-21

Lime-based sorbents are used for fuel- and flue-gas capture, thereby representing an economic and effective way to reduce CO2 emissions. Their use involves cyclic carbonation/calcination which results in a significant conversion reduction with increasing number of cycles. To reactivate spent CaO, vapor phase hydration is typically performed. However, little is known about the ultimate mechanism of such a hydration process. Here, we show that the vapor phase hydration of CaO formed after calcination of calcite (CaCO3) single crystals is a pseudomorphic, topotactic process, which progresses via an intermediate disordered phase prior to the final formation of oriented Ca(OH)2 nanocrystals. The strong structural control during this solid-state phase transition implies that the microstructural features of the CaO parent phase predetermine the final structural and physicochemical (reactivity and attrition) features of the product hydroxide. The higher molar volume of the product can create an impervious shell around unreacted CaO, thereby limiting the efficiency of the reactivation process. However, in the case of compact, sintered CaO structures, volume expansion cannot be accommodated in the reduced pore volume, and stress generation leads to pervasive cracking. This favors complete hydration but also detrimental attrition. Implications of these results in carbon capture and storage (CCS) are discussed.

Recent Advances in Atmospheric Vapor-Phase Deposition of Transparent and Conductive Zinc Oxide

NARCIS (Netherlands)

Illiberi, A.; Poodt, P.; Roozeboom, F.

2014-01-01

The industrial need for high-throughput and low-cost ZnO deposition processes has triggered the development of atmospheric vapor-phase deposition techniques which can be easily applied to continuous, in-line manufacturing. While atmospheric CVD is a mature technology, new processes for the growth of

Availability of MCNP and MATLAB for reconstructing the water-vapor two-phase flow pattern in neutron radiography

International Nuclear Information System (INIS)

Feng Qixi; Feng Quanke; Takeshi, K.

2008-01-01

The China Advanced Research Reactor (CARR) is scheduled to be operated in the autumn of 2008. In this paper, we report preparations for installing the neutron radiography instrument (NRI) and for utilizing it efficiently. The 2-D relative neutron intensity profiles for the water-vapor two-phase flow inside the tube were obtained using the MCNP code without influence of γ-ray and electronic-noise. The MCNP simulation of the 2-D neutron intensity profile for the water-vapor two-phase flow was demonstrated. The simulated 2-D neutron intensity profiles could be used as the benchmark data base by calibrating part of the data measured by the CARR-NRI. The 3-D objective images allow us to understand the flow pattern more clearly and it is reconstructed using the MATLAB through the threshold transformation techniques. And thus it is concluded that the MCNP code and the MATLAB are very useful for constructing the benchmark data base for the investigation of the water-vapor two-phase flow using the CARR-NRI. (authors)

Issues associated with the metalorganic chemical vapor deposition of ScGaN and YGaN alloys.

Energy Technology Data Exchange (ETDEWEB)

Koleske, Daniel David; Knapp, James Arthur; Lee, Stephen Roger; Crawford, Mary Hagerott; Creighton, James Randall; Cross, Karen Charlene; Thaler, Gerald

2009-07-01

The most energy efficient solid state white light source will likely be a combination of individually efficient red, green, and blue LED. For any multi-color approach to be successful the efficiency of deep green LEDs must be significantly improved. While traditional approaches to improve InGaN materials have yielded incremental success, we proposed a novel approach using group IIIA and IIIB nitride semiconductors to produce efficient green and high wavelength LEDs. To obtain longer wavelength LEDs in the nitrides, we attempted to combine scandium (Sc) and yttrium (Y) with gallium (Ga) to produce ScGaN and YGaN for the quantum well (QW) active regions. Based on linear extrapolation of the proposed bandgaps of ScN (2.15 eV), YN (0.8 eV) and GaN (3.4 eV), we expected that LEDs could be fabricated from the UV (410 nm) to the IR (1600 nm), and therefore cover all visible wavelengths. The growth of these novel alloys potentially provided several advantages over the more traditional InGaN QW regions including: higher growth temperatures more compatible with GaN growth, closer lattice matching to GaN, and reduced phase separation than is commonly observed in InGaN growth. One drawback to using ScGaN and YGaN films as the active regions in LEDs is that little research has been conducted on their growth, specifically, are there metalorganic precursors that are suitable for growth, are the bandgaps direct or indirect, can the materials be grown directly on GaN with a minimal defect formation, as well as other issues related to growth. The major impediment to the growth of ScGaN and YGaN alloys was the low volatility of metalorganic precursors. Despite this impediment some progress was made in incorporation of Sc and Y into GaN which is detailed in this report. Primarily, we were able to incorporate up to 5 x 10{sup 18} cm{sup -3} Y atoms into a GaN film, which are far below the alloy concentrations needed to evaluate the YGaN optical properties. After a no-cost extension was

Effect of growth conditions on the biodegradation kinetics of toluene by P. putida 54G in a vapor phase bioreactor

International Nuclear Information System (INIS)

Mirpuri, R.; Jones, W.; Krieger, E.; McFeters, G.

1994-01-01

Biodegradation of volatile organic compounds such as petroleum hydrocarbons and xenobiotic agents in the vapor phase is a promising new concept in well-head and end-of-pipe treatment which may have wide application where in-situ approaches are not feasible. The microbial degradation of the volatile organics can be carried out in vapor phase bioreactors which contain inert packing materials. Scale-up of these reactors from a bench scale to a pilot plant can best be achieved by the use of a predictive model, the success of which depends on accurate estimates of parameters defined in the model such as biodegradation kinetic and stoichiometric coefficients. The phenomena of hydrocarbon stress and injury may also affect performance of a vapor phase bioreactor. Batch kinetic studies on the biodegradation of toluene by P. Putida 54G will be compared to those obtained from continuous culture studies for both suspended and biofilm cultures of the same microorganism. These results will be compared to the activity of the P. putida 54G biofilm in a vapor phase bioreactor to evaluate the impact of hydrocarbon stress and injury on biodegradative processes

Hydrolytically stable fluorinated metal-organic frameworks for energy-efficient dehydration

KAUST Repository

Cadiau, Amandine

2017-05-18

Natural gas must be dehydrated before it can be transported and used, but conventional drying agents such as activated alumina or inorganic molecular sieves require an energy-intensive desiccant-regeneration step. We report a hydrolytically stable fluorinated metal-organic framework, AlFFIVE-1-Ni (KAUST-8), with a periodic array of open metal coordination sites and fluorine moieties within the contracted square-shaped one-dimensional channel. This material selectively removed water vapor from gas streams containing CO2, N2, CH4, and higher hydrocarbons typical of natural gas, as well as selectively removed both H2O and CO2 in N2-containing streams. The complete desorption of the adsorbed water molecules contained by the AlFFIVE-1-Ni sorbent requires relatively moderate temperature (~105°C) and about half the energy input for commonly used desiccants.

Li vaporization property of two-phase material of Li{sub 2}TiO{sub 3} and Li{sub 2}SiO{sub 3} for tritium breeder

Energy Technology Data Exchange (ETDEWEB)

Ogawa, Seiya [Course of Mechanical Engineering, Graduate School of Engineering, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Masuko, Yuki; Kato, Hirokazu; Yuyama, Hayato; Sakai, Yutaro [Department of Prime Mover Engineering, School of Engineering, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Niwa, Eiki; Hashimoto, Takuya [Department of Physics, College of Humanities and Sciences, Nihon University, 3-8-1 Sakurajousui, Setagaya-ku, Tokyo 156-8550 (Japan); Mukai, Keisuke [Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 7-3-1 Bunkyo-ku, Tokyo 113-8656 (Japan); Hosino, Tsuyoshi [Breeding Functional Materials Development Group, Department of Blanket Systems Research, Rokkasho Fusion Institute, Sector of Fusion Research and Development, Japan Atomic Energy Agency, 2-166 Obuch, Omotedate, Rokkasho-mura, Kamikita-gun, Aomori 039-3212 (Japan); Sasaki, Kazuya, E-mail: k_sasaki@tokai-u.jp [Course of Mechanical Engineering, Graduate School of Engineering, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Department of Prime Mover Engineering, School of Engineering, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan); Course of Mechanical Engineering and Aeronautics and Astronautics, Graduate School of Science and Technology, Tokai University, 4-1-1 Kitakaname, Hiratsuka, Kanagawa 259-1292 (Japan)

2015-10-15

Highlights: • We synthesized two phase materials based on Li{sub 2}SiO{sub 3} and Li{sub 2}TiO{sub 3}. • We investigated the Li vaporization property of the two-phase materials. • Li vaporization occurs significantly from only Li{sub 2}SiO{sub 3} grains in the vicinity of the surface of the pellets. • The Li vaporization is remarkable only for an early short time for the vaporization from Li{sub 2}SiO{sub 3} grains at the vicinity of the surface. • The second stable phase added functions effectively for inhibition of the Li vaporization. - Abstract: Li vaporization property of two-phase materials of Li{sub 2}TiO{sub 3} and Li{sub 2}SiO{sub 3} in a working condition for the solid tritium breeder used in the demonstration power plant of fusion reactor was investigated, and the suppression mechanism of the vaporization was considered. The Li vaporization rate from the specimen pellet was measured by gravimetric method, and the change of Li concentration distribution in the pellet was analyzed by time-of-flight secondary ion mass spectrometer. Li was vaporized only from the Li{sub 2}SiO{sub 3} at the vicinity of the surface of the pellet. The remarkable vaporization of Li arose only in an early short time. The inhibition of the vaporization from the Li{sub 2}SiO{sub 3} was successful by adding the small amount of the stable secondary phase of Li{sub 2}TiO{sub 3}.

High flux diode packaging using passive microscale liquid-vapor phase change

Science.gov (United States)

Bandhauer, Todd; Deri, Robert J.; Elmer, John W.; Kotovsky, Jack; Patra, Susant

2017-09-19

A laser diode package includes a heat pipe having a fluid chamber enclosed in part by a heat exchange wall for containing a fluid. Wicking channels in the fluid chamber is adapted to wick a liquid phase of the fluid from a condensing section of the heat pipe to an evaporating section of the heat exchanger, and a laser diode is connected to the heat exchange wall at the evaporating section of the heat exchanger so that heat produced by the laser diode is removed isothermally from the evaporating section to the condensing section by a liquid-to-vapor phase change of the fluid.

Modeling the Non-Equilibrium Process of the Chemical Adsorption of Ammonia on GaN(0001) Reconstructed Surfaces Based on Steepest-Entropy-Ascent Quantum Thermodynamics

OpenAIRE

Kusaba, Akira; Li, Guanchen; von Spakovsky, Michael R.; Kangawa, Yoshihiro; Kakimoto, Koichi

2017-01-01

Clearly understanding elementary growth processes that depend on surface reconstruction is essential to controlling vapor-phase epitaxy more precisely. In this study, ammonia chemical adsorption on GaN(0001) reconstructed surfaces under metalorganic vapor phase epitaxy (MOVPE) conditions (3Ga-H and Nad-H + Ga-H on a 2 × 2 unit cell) is investigated using steepest-entropy-ascent quantum thermodynamics (SEAQT). SEAQT is a thermodynamic-ensemble based, first-principles framework that can predict...

Substrate-induced phase of a [1]benzothieno[3,2-b]benzothiophene derivative and phase evolution by aging and solvent vapor annealing.

Science.gov (United States)

Jones, Andrew O F; Geerts, Yves H; Karpinska, Jolanta; Kennedy, Alan R; Resel, Roland; Röthel, Christian; Ruzié, Christian; Werzer, Oliver; Sferrazza, Michele

2015-01-28

Substrate-induced phases (SIPs) are polymorphic phases that are found in thin films of a material and are different from the single crystal or "bulk" structure of a material. In this work, we investigate the presence of a SIP in the family of [1]benzothieno[3,2-b]benzothiophene (BTBT) organic semiconductors and the effect of aging and solvent vapor annealing on the film structure. Through extensive X-ray structural investigations of spin coated films, we find a SIP with a significantly different structure to that found in single crystals of the same material forms; the SIP has a herringbone motif while single crystals display layered π-π stacking. Over time, the structure of the film is found to slowly convert to the single crystal structure. Solvent vapor annealing initiates the same structural evolution process but at a greatly increased rate, and near complete conversion can be achieved in a short period of time. As properties such as charge transport capability are determined by the molecular structure, this work highlights the importance of understanding and controlling the structure of organic semiconductor films and presents a simple method to control the film structure by solvent vapor annealing.

Liquid metal-organic frameworks

Science.gov (United States)

Gaillac, Romain; Pullumbi, Pluton; Beyer, Kevin A.; Chapman, Karena W.; Keen, David A.; Bennett, Thomas D.; Coudert, François-Xavier

2017-11-01

Metal-organic frameworks (MOFs) are a family of chemically diverse materials, with applications in a wide range of fields, covering engineering, physics, chemistry, biology and medicine. Until recently, research has focused almost entirely on crystalline structures, yet now a clear trend is emerging, shifting the emphasis onto disordered states, including `defective by design’ crystals, as well as amorphous phases such as glasses and gels. Here we introduce a strongly associated MOF liquid, obtained by melting a zeolitic imidazolate framework. We combine in situ variable temperature X-ray, ex situ neutron pair distribution function experiments, and first-principles molecular dynamics simulations to study the melting phenomenon and the nature of the liquid obtained. We demonstrate from structural, dynamical, and thermodynamical information that the chemical configuration, coordinative bonding, and porosity of the parent crystalline framework survive upon formation of the MOF liquid.

In situ synchrotron X-ray studies during metal-organic chemical vapor deposition of semiconductors

Energy Technology Data Exchange (ETDEWEB)

Thompson, Carol [Northern Illinois Univ., DeKalb, IL (United States); Argonne National Lab., Argonne, IL (United States); Highland, Matthew J.; Perret, Edith; Fuoss, Paul H.; Streiffer, Stephen K.; Stephenson, G. Brian [Argonne National Lab., Argonne, IL (United States); Richard, Marie-Ingrid [Universite Paul Cezanne Aix-Marseille, Marseille (France)

2012-07-01

In-situ, time-resolved techniques provide valuable insight into the complex interplay of surface structural and chemical evolution occurring during materials synthesis and processing of semiconductors. Our approach is to observe the evolution of surface structure and morphology at the atomic scale in real-time during metal organic vapor phase deposition (MOCVD) by using grazing incidence x-ray scattering and X-ray fluorescence, coupled with visible light scattering. Our vertical-flow MOCVD chamber is mounted on a 'z-axis' surface diffractometer designed specifically for these studies of the film growth, surface evolution and the interactions within a controlled growth environment. These techniques combine the ability of X-rays to penetrate a complex environment for measurements during growth and processing, with the sensitivity of surface scattering techniques to atomic and nanoscale structure. In this talk, we outline our program and discuss examples from our in-situ and real-time X-ray diffraction and fluorescence studies of InN, GaN, and InGaN growth on GaN(0001).

Heteroepitaxial growth of Ba1 - xSrxTiO3/YBa2Cu3O7 - x by plasma-enhanced metalorganic chemical vapor deposition

Science.gov (United States)

Chern, C. S.; Liang, S.; Shi, Z. Q.; Yoon, S.; Safari, A.; Lu, P.; Kear, B. H.; Goodreau, B. H.; Marks, T. J.; Hou, S. Y.

1994-06-01

Epitaxial Ba1-xSrxTiO3(BST)/YBa2Cu3O7-x heterostructures with superior electrical and dielectric properties have been fabricated by plasma-enhanced metalorganic chemical vapor deposition (PE-MOCVD). Data of x-ray diffraction and high resolution transmission electron microscopy showed that oriented Ba1-xSrxTiO3 layers were epitaxially deposited on epitaxial (001) YBa2Cu3O7-x layers. The leakage current density through the Ba1-xSrxTiO3 films was about 10-7 A/cm2 at 2 V (about 2×105 V/cm) operation. Moreover, the results of capacitance-temperature measurements showed that the PE-MOCVD Ba1-xSrxTiO3 films had Curie temperatures of about 30 °C and a peak dielectric constant of 600 at zero bias voltage. The Rutherford backscattering spectrometry and x-ray diffraction results showed that the BST film composition was controlled between Ba0.75Sr0.25TiO3 and Ba0.8Sr0.2TiO3. The structural and electrical properties of the Ba1-xSrxTiO3/YBa2Cu3O7-x heterostructure indicated that conductive oxide materials with close lattice to Ba1-xSrxTiO3 can be good candidates for the bottom electrode.

Enhanced and uniform in-field performance in long (Gd, Y)-Ba-Cu-O tapes with zirconium doping fabricated by metal-organic chemical vapor deposition

International Nuclear Information System (INIS)

Selvamanickam, V; Guevara, A; Zhang, Y; Kesgin, I; Xie, Y; Carota, G; Chen, Y; Dackow, J; Zhang, Y; Zuev, Y; Cantoni, C; Goyal, A; Coulter, J; Civale, L

2010-01-01

The influence of Zr doping in (Gd, Y)-Ba-Cu-O ((Gd, Y)BCO) tapes made by metal-organic chemical vapor deposition has been studied with a specific objective of uniform and reproducible enhancement in in-field critical current (I c ) over long lengths. 50 m long tapes with 7.5 and 10 at.% Zr doping in 1 μm thick (Gd, Y)BCO films have been found to exhibit a sharply enhanced peak in I c in the orientation of field parallel to the c-axis and retain 28% of their self-field I c value at 77 K and 1 T. BaZrO 3 (BZO) nanocolumn density in the cross-sectional microstructure was found to increase with increasing Zr addition. The end segments of the 50 m long tapes were found to display nearly identical angular dependence of critical current at 77 K and 1 T, indicative of the uniformity in in-field performance over this length. A 610 m long tape was fabricated with 10% Zr doping and a 130 m segment showed a 3.2% uniformity in critical current measured every meter in the orientation of B || c-axis. A retention factor of 36% of the zero-field I c value measured at 0.52 T over the 130 m is consistent with that obtained in short samples.

Enhanced and uniform in-field performance in long (Gd, Y)-Ba-Cu-O tapes with zirconium doping fabricated by metal-organic chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Selvamanickam, V; Guevara, A; Zhang, Y; Kesgin, I [Texas Center for Superconductivity and Department of Mechanical Engineering, University of Houston, Houston, TX 77059 (United States); Xie, Y; Carota, G; Chen, Y; Dackow, J [SuperPower Incorporated, 450 Duane Avenue Schenectady, NY 12304 (United States); Zhang, Y; Zuev, Y; Cantoni, C; Goyal, A [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Coulter, J; Civale, L [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

2010-01-15

The influence of Zr doping in (Gd, Y)-Ba-Cu-O ((Gd, Y)BCO) tapes made by metal-organic chemical vapor deposition has been studied with a specific objective of uniform and reproducible enhancement in in-field critical current (I{sub c}) over long lengths. 50 m long tapes with 7.5 and 10 at.% Zr doping in 1 {mu}m thick (Gd, Y)BCO films have been found to exhibit a sharply enhanced peak in I{sub c} in the orientation of field parallel to the c-axis and retain 28% of their self-field I{sub c} value at 77 K and 1 T. BaZrO{sub 3} (BZO) nanocolumn density in the cross-sectional microstructure was found to increase with increasing Zr addition. The end segments of the 50 m long tapes were found to display nearly identical angular dependence of critical current at 77 K and 1 T, indicative of the uniformity in in-field performance over this length. A 610 m long tape was fabricated with 10% Zr doping and a 130 m segment showed a 3.2% uniformity in critical current measured every meter in the orientation of B || c-axis. A retention factor of 36% of the zero-field I{sub c} value measured at 0.52 T over the 130 m is consistent with that obtained in short samples.

Deposition of Metal-Organic Frameworks by Liquid-Phase Epitaxy: The Influence of Substrate Functional Group Density on Film Orientation

Directory of Open Access Journals (Sweden)

Christof Wöll

2012-09-01

Full Text Available The liquid phase epitaxy (LPE of the metal-organic framework (MOF HKUST-1 has been studied for three different COOH-terminated templating organic surfaces prepared by the adsorption of self-assembled monolayers (SAMs on gold substrates. Three different SAMs were used, mercaptohexadecanoic acid (MHDA, 4’-carboxyterphenyl-4-methanethiol (TPMTA and 9-carboxy-10-(mercaptomethyltriptycene (CMMT. The XRD data demonstrate that highly oriented HKUST-1 SURMOFs with an orientation along the (100 direction was obtained on MHDA-SAMs. In the case of the TPMTA-SAM, the quality of the deposited SURMOF films was found to be substantially inferior. Surprisingly, for the CMMT-SAMs, a different growth direction was obtained; XRD data reveal the deposition of highly oriented HKUST-1 SURMOFs grown along the (111 direction.

Magneto-ionic phase control in a quasi-layered donor/acceptor metal-organic framework by means of a Li-ion battery system

Science.gov (United States)

Taniguchi, Kouji; Narushima, Keisuke; Yamagishi, Kayo; Shito, Nanami; Kosaka, Wataru; Miyasaka, Hitoshi

2017-06-01

Electrical magnetism control is realized in a Li-ion battery system through a redox reaction involving ion migrations; “magneto-ionic control”. A quasi-layered metal-organic framework compound with a cross-linked π-conjugated/unconjugated one-dimensional chain motifs composed of electron-donor/acceptor units is developed as the cathode material. A change in magnetic phase from paramagnetic to ferrimagnetic is demonstrated by means of electron-filling control for the acceptor units via insertion of Li+-ions into pores in the material. The transition temperature is as high as that expected for highly π-conjugated layered systems, indicating an extension of π-conjugated exchange paths by rearranging coordination bonds in the first discharge process.

Comparisons between a gas-phase model of silane chemical vapor deposition and laser-diagnostic measurements

International Nuclear Information System (INIS)

Breiland, W.G.; Coltrin, M.E.; Ho, P.

1986-01-01

Theoretical modeling and experimental measurements have been used to study gas-phase chemistry in the chemical vapor deposition (CVD) of silicon from silane. Pulsed laser Raman spectroscopy was used to obtain temperature profiles and to obtain absolute density profiles of silane during deposition at atmospheric and 6-Torr total pressures for temperatures ranging from 500 to 800 0 C. Laser-excited fluorescence was used to obtain relative density profiles of Si 2 during deposition at 740 0 C in helium with 0-12 Torr added hydrogen. These measurements are compared to predictions from the theoretical model of Coltrin, Kee, and Miller. The predictions agree qualitatively with experiment. These studies indicate that fluid mechanics and gas-phase chemical kinetics are important considerations in understanding the chemical vapor deposition process

MOFwich: Sandwiched Metal-Organic Framework-Containing Mixed Matrix Composites for Chemical Warfare Agent Removal.

Science.gov (United States)

Peterson, Gregory W; Lu, Annie X; Hall, Morgan G; Browe, Matthew A; Tovar, Trenton; Epps, Thomas H

2018-02-28

This work describes a new strategy for fabricating mixed matrix composites containing layered metal-organic framework (MOF)/polymer films as functional barriers for chemical warfare agent protection. Through the use of mechanically robust polymers as the top and bottom encasing layers, a high-MOF-loading, high-performance-core layer can be sandwiched within. We term this multifunctional composite "MOFwich". We found that the use of elastomeric encasing layers enabled core layer reformation after breakage, an important feature for composites and membranes alike. The incorporation of MOFs into the core layer led to enhanced removal of chemical warfare agents while simultaneously promoting moisture vapor transport through the composite, showcasing the promise of these composites for protection applications.

Synthesis of TiO2 Nanoparticles from Ilmenite Through the Mechanism of Vapor-Phase Reaction Process by Thermal Plasma Technology

Science.gov (United States)

Samal, Sneha

2017-11-01

Synthesis of nanoparticles of TiO2 was carried out by non-transferred arc thermal plasma reactor using ilmenite as the precursor material. The powder ilmenite was vaporized at high temperature in plasma flame and converted to a gaseous state of ions in the metastable phase. On cooling, chamber condensation process takes place on recombination of ions for the formation of nanoparticles. The top-to-bottom approach induces the disintegration of complex ilmenite phases into simpler compounds of iron oxide and titanium dioxide phases. The vapor-phase reaction mechanism was carried out in thermal plasma zone for the synthesis of nanoparticles from ilmenite compound in a plasma reactor. The easy separation of iron particles from TiO2 was taken place in the plasma chamber with deposition of light TiO2 particles at the top of the cooling chamber and iron particles at the bottom. The dissociation and combination process of mechanism and synthesis are studied briefly in this article. The product TiO2 nanoparticle shows the purity with a major phase of rutile content. TiO2 nanoparticles produced in vapor-phase reaction process shows more photo-induced capacity.

Zeolite-like metal-organic frameworks with ana topology

KAUST Repository

Eddaoudi, Mohamed

2017-04-20

Embodiments of the present disclosure describe a zeolite-like metal-organic framework composition comprising a metal-organic framework composition with ana topology characterized by the formula [MIII(4, 5-imidazole dicarboxylic acid)2X(solvent)a]n wherein MIII comprises a trivalent cation of a rare earth element, X comprises an alkali metal element or alkaline earth metal element, and solvent comprises a guest molecule occupying pores. Embodiments of the present disclosure describe a method of separating paraffins comprising contacting a zeolite-like metal-organic framework with ana topology with a flow of paraffins, and separating the paraffins by size.

Compact Raman Lidar Measurement of Liquid and Vapor Phase Water Under the Influence of Ionizing Radiation

Directory of Open Access Journals (Sweden)

Shiina Tatsuo

2016-01-01

Full Text Available A compact Raman lidar has been developed for studying phase changes of water in the atmosphere under the influence of ionization radiation. The Raman lidar is operated at the wavelength of 349 nm and backscattered Raman signals of liquid and vapor phase water are detected at 396 and 400 nm, respectively. Alpha particles emitted from 241Am of 9 MBq ionize air molecules in a scattering chamber, and the resulting ions lead to the formation of liquid water droplets. From the analysis of Raman signal intensities, it has been found that the increase in the liquid water Raman channel is approximately 3 times as much as the decrease in the vapor phase water Raman channel, which is consistent with the theoretical prediction based on the Raman cross-sections. In addition, the radius of the water droplet is estimated to be 0.2 μm.

Thin films by metal-organic precursor plasma spray

International Nuclear Information System (INIS)

Schulz, Douglas L.; Sailer, Robert A.; Payne, Scott; Leach, James; Molz, Ronald J.

2009-01-01

While most plasma spray routes to coatings utilize solids as the precursor feedstock, metal-organic precursor plasma spray (MOPPS) is an area that the authors have investigated recently as a novel route to thin film materials. Very thin films are possible via MOPPS and the technology offers the possibility of forming graded structures by metering the liquid feed. The current work employs metal-organic compounds that are liquids at standard temperature-pressure conditions. In addition, these complexes contain chemical functionality that allows straightforward thermolytic transformation to targeted phases of interest. Toward that end, aluminum 3,5-heptanedionate (Al(hd) 3 ), triethylsilane (HSi(C 2 H 5 ) 3 or HSiEt 3 ), and titanium tetrakisdiethylamide (Ti(N(C 2 H 5 ) 2 ) 4 or Ti(NEt 2 ) 4 ) were employed as precursors to aluminum oxide, silicon carbide, and titanium nitride, respectively. In all instances, the liquids contain metal-heteroatom bonds envisioned to provide atomic concentrations of the appropriate reagents at the film growth surface, thus promoting phase formation (e.g., Si-C bond in triethylsilane, Ti-N bond in titanium amide, etc.). Films were deposited using a Sulzer Metco TriplexPro-200 plasma spray system under various experimental conditions using design of experiment principles. Film compositions were analyzed by glazing incidence x-ray diffraction and elemental determination by x-ray spectroscopy. MOPPS films from HSiEt 3 showed the formation of SiC phase but Al(hd) 3 -derived films were amorphous. The Ti(NEt 2 ) 4 precursor gave MOPPS films that appear to consist of nanosized splats of TiOCN with spheres of TiO 2 anatase. While all films in this study suffered from poor adhesion, it is anticipated that the use of heated substrates will aid in the formation of dense, adherent films.

Epitaxial growth of SrTiO3/YBa2Cu3O7 - x heterostructures by plasma-enhanced metalorganic chemical vapor deposition

Science.gov (United States)

Liang, S.; Chern, C. S.; Shi, Z. Q.; Lu, P.; Safari, A.; Lu, Y.; Kear, B. H.; Hou, S. Y.

1994-06-01

We report heteroepitaxial growth of SrTiO3 on YBa2Cu3O7-x/LaAlO3 substrates by plasma-enhanced metalorganic chemical vapor deposition. X-ray diffraction results indicated that SrTiO3 films were epitaxially grown on a (001) YBa2Cu3O7-x surface with [100] orientation perpendicular to the surface. The film composition, with Sr/Ti molar ratio in the range of 0.9 to 1.1, was determined by Rutherford backscattering spectrometry and energy dispersive spectroscopy. The thickness of the SrTiO3 films is 0.1-0.2 μm. The epitaxial growth was further evidenced by high-resolution transmission electron microscopy and selected area diffraction. Atomically abrupt SrTiO3/YBa2Cu3O7-x interface and epitaxial growth with [100]SrTiO3∥[001]YBa2Cu3O7-x were observed in this study. The superconducting transition temperature of the bottom YBa2Cu3O7-x layer, as measured by ac susceptometer, did not significantly degrade after the growth of overlayer SrTiO3. The capacitance-voltage measurements showed that the dielectric constant of the SrTiO3 films was as high as 315 at a signal frequency of 100 KHz. The leakage current density through the SrTiO3 films is about 1×10-6 A/cm2 at 2-V operation. Data analysis on the current-voltage characteristic indicated that the conduction process is related to bulk-limited Poole-Frenkel emission.

Lipon thin films grown by plasma-enhanced metalorganic chemical vapor deposition in a N{sub 2}-H{sub 2}-Ar gas mixture

Energy Technology Data Exchange (ETDEWEB)

Meda, Lamartine, E-mail: LMeda@xula.edu [Department of Chemistry, Xavier University of Louisiana, 1 Drexel Drive, New Orleans, LA, 70125 (United States); Maxie, Eleston E. [Excellatron Solid State LLC, 263 Decatur Street, Atlanta, GA 30312 (United States)

2012-01-01

Lithium phosphorus oxynitride (Lipon) thin films have been deposited by a plasma-enhanced metalorganic chemical vapor deposition method. Lipon thin films were deposited on approximately 0.2 {mu}m thick Au-coated alumina substrates in a N{sub 2}-H{sub 2}-Ar plasma at 13.56 MHz, a power of 150 W, and at 180 Degree-Sign C using triethyl phosphate [(CH{sub 2}CH{sub 3}){sub 3}PO{sub 4}] and lithium tert-butoxide [(LiOC(CH{sub 3}){sub 3}] precursors. Lipon growth rates ranged from 10 to 42 nm/min and thicknesses varied from 1 to 2.5 {mu}m. X-ray powder diffraction showed that the films were amorphous, and X-ray photoelectron spectroscopy (XPS) revealed approximately 4 at.% N in the films. The ionic conductivity of Lipon was measured by electrochemical impedance spectroscopy to be approximately 1.02 {mu}S/cm, which is consistent with the ionic conductivity of Lipon deposited by radio frequency magnetron sputtering of Li{sub 3}PO{sub 4} targets in either mixed Ar-N{sub 2} or pure N{sub 2} atmosphere. Attempts to deposit Lipon in a N{sub 2}-O{sub 2}-Ar plasma resulted in the growth of Li{sub 3}PO{sub 4} thin films. The XPS analysis shows no C and N atom peaks. Due to the high impedance of these films, reliable conductivity measurements could not be obtained for films grown in N{sub 2}-O{sub 2}-Ar plasma.

Cu-Al alloy formation by thermal annealing of Cu/Al multilayer films deposited by cyclic metal organic chemical vapor deposition

Science.gov (United States)

Moon, Hock Key; Yoon, Jaehong; Kim, Hyungjun; Lee, Nae-Eung

2013-05-01

One of the most important issues in future Cu-based interconnects is to suppress the resistivity increase in the Cu interconnect line while decreasing the line width below 30 nm. For the purpose of mitigating the resistivity increase in the nanoscale Cu line, alloying Cu with traces of other elements is investigated. The formation of a Cu alloy layer using chemical vapor deposition or electroplating has been rarely studied because of the difficulty in forming Cu alloys with elements such as Al. In this work, Cu-Al alloy films were successfully formed after thermal annealing of Cu/Al multilayers deposited by cyclic metal-organic chemical vapor deposition (C-MOCVD). After the C-MOCVD of Cu/Al multilayers without gas phase reaction between the Cu and Al precursors in the reactor, thermal annealing was used to form Cu-Al alloy films with a small Al content fraction. The resistivity of the alloy films was dependent on the Al precursor delivery time and was lower than that of the aluminum-free Cu film. No presence of intermetallic compounds were detected in the alloy films by X-ray diffraction measurements and transmission electron spectroscopy.

Modelling and numerical simulation of liquid-vapor phase transitions; Modelisation et simulation numerique des transitions de phase liquide-vapeur

Energy Technology Data Exchange (ETDEWEB)

Caro, F

2004-11-15

This work deals with the modelling and numerical simulation of liquid-vapor phase transition phenomena. The study is divided into two part: first we investigate phase transition phenomena with a Van Der Waals equation of state (non monotonic equation of state), then we adopt an alternative approach with two equations of state. In the first part, we study the classical viscous criteria for selecting weak solutions of the system used when the equation of state is non monotonic. Those criteria do not select physical solutions and therefore we focus a more recent criterion: the visco-capillary criterion. We use this criterion to exactly solve the Riemann problem (which imposes solving an algebraic scalar non linear equation). Unfortunately, this step is quite costly in term of CPU which prevent from using this method as a ground for building Godunov solvers. That is why we propose an alternative approach two equations of state. Using the least action principle, we propose a phase changing two-phase flow model which is based on the second thermodynamic principle. We shall then describe two equilibrium submodels issued from the relaxations processes when instantaneous equilibrium is assumed. Despite the weak hyperbolicity of the last sub-model, we propose stable numerical schemes based on a two-step strategy involving a convective step followed by a relaxation step. We show the ability of the system to simulate vapor bubbles nucleation. (author)

Structural and morphological characterization of fullerite crystals prepared from the vapor phase

International Nuclear Information System (INIS)

Haluska, M.; Fejdi, P.; Vybornov, M.; Kuzmany, H.

1993-01-01

Crystal structure, habits and surface structures of fullerite crystals prepared from vapor phase were characterized by X-ray analysis, interfacial angle measurements and optical and scanning electron microscopy (SEM). The study of selected C 60 crystals confirmed the fcc structure at room temperature. The crystal habit is determined by two types of morphological faces, namely {100} and {111}. SEM was used for the observation of thermal etched surfaces. (orig.)

Control of a metalorganic chemical vapor deposition process for improved composition and thickness precision in compound semiconductors

Science.gov (United States)

Gaffney, Monique Suzanne

1998-11-01

Metalorganic chemical vapor deposition (MOCVD) is a process used to manufacture electronic and optoelectronic devices that has traditionally lacked real-time growth monitoring and control. Controlling the growth rate and composition using the existing sensors, as well as advanced monitoring systems developed in-house, is shown to improve device quality. Specific MOCVD growth objectives are transformed into controller performance goals. Group III bubbler concentration variations, which perturb both growth rate and composition precision, are identified to be the primary disturbances. First a feed forward control system was investigated, which used an ultrasonic concentration monitor, located upstream in the process. This control strategy resulted in improved regulation of the gallium delivery rate by cancelling the sensed gallium bubbler concentration disturbances via the injection mass flow controller. The controller performance is investigated by growing GaInAs/InP superlattices. Results of growths performed under normal operating conditions and also under large perturbations include X-ray diffraction from the samples as well as real-time sensor signal data. High quality superlattices that display up to eight orders of satellite peaks are obtained under the feed forward compensation scheme, demonstrating improved layer-to-layer reproducibility of thickness and composition. The success of the feed forward control demonstration led to the development of a more complex downstream feedback control system. An ultraviolet absorption monitor was fabricated and retrofitted as a feedback control signal. A control-oriented model of the downstream process was developed for the feedback controller synthesis. Although challenged with both the photolysis and multi-gas detection issues common to UV absorption monitors, closed loop control with the UV sensor was performed and proved to be an effective method of disturbance rejection. An InP/GaInAs test structure was grown under

Muonium formation and the 'missing fraction' in vapors

International Nuclear Information System (INIS)

Fleming, D.G.; Arseneau, D.J.; Garner, D.M.; Senba, M.; Mikula, R.J.

1983-06-01

The vapor phase fractional polarizations of positive muons thermalizing as the muonium atom (Psub(M)) and in diamagnetic environments (Psub(D)) has been measured in H 2 O, CH 3 OH, C 6 H 14 , C 6 H 12 , CCl 4 , CHCl 3 , CH 2 Cl 2 and TMS, in order to compare with the corresponding fractions measured in the condensed phases. There is a marked contrast in every case, with the vapor phase results being largely understandable in terms of a charge exchange/hot atom model. Unlike the situation in the corresponding liquids, there is no permanent lost fraction in the vapor phase in the limit of even moderately high pressures (approximately 1 atm); at lower pressures, depolarization is due to hyperfine mixing and is believed to be well understood. For vapor phase CH 3 OH, C 6 H 14 , C 6 H 12 , and TMS the relative fractions are found to be pressure dependent, suggesting the importance of termolecular hot atom (or ion) reactions in the slowing-down process. For vapor phase H 2 O and the chloromethanes, the relative fractions are pressure independent. For CCl 4 , Psub(M) = Psub(D) approximately 0.5 in the vapor phase vs. Psub(D) = 1.0 in the liquid phase; fast thermal reactions of Mu likely contribute significantly to this difference in the liquid phase. For H 2 O, Psub(M) approximately 0.9 and Psub(D) approximately 0.1 in the vapor phase vs. Psub(D) approximately 0.6 and Psub(M) approximately 0.2 in the liquid phase. Water appears to be the one unequivocal case where the basic charge exchange/hot atom model is inappropriate in the condensed phase, suggesting, therefore, that radiation-induced 'spur' effects play a major role

A rare earth-based metal-organic framework for moisture removal and control in confined spaces

KAUST Repository

Eddaoudi, Mohamed

2017-04-13

A method for preparing a metal-organic framework (MOF) comprising contacting one or more of a rare earth metal ion component with one or more of a tetratopic ligand component, sufficient to form a rare earth-based MOF for controlling moisture in an environment. A method of moisture control in an environment comprising adsorbing and/or desorbing water vapor in an environment using a MOF, the MOF including one or more of a rare earth metal ion component and one or more of a tetratopic ligand component. A method of controlling moisture in an environment comprising sensing the relative humidity in the environment comprising a MOF; and adsorbing water vapor on the MOF if the relative humidity is above a first level, sufficient to control moisture in an environment. The examples relate to a MOF created from 1,2,4,5-Tetrakis(4-carboxyphenyl )benzene (BTEB) as tetratopic ligand, 2-fluorobenzoic acid and Y(NO3)3, Tb(NO3)3 and Yb(NO3)3 as rare earth metals.

Effect of annealing on metastable shallow acceptors in Mg-doped GaN layers grown on GaN substrates

OpenAIRE

Pozina, Galia; Hemmingsson, Carl; Paskov, Plamen P.; Bergman, Peder; Monemar, Bo; Kawashima, T.; Amano, H.; Akasaki, I.; Usui, A.

2008-01-01

Mg-doped GaN layers grown by metal-organic vapor phase epitaxy on GaN substrates produced by the halide vapor phase technique demonstrate metastability of the near-band-gap photoluminescence (PL). The acceptor bound exciton (ABE) line possibly related to the C acceptor vanishes in as-grown samples within a few minutes under UV laser illumination. Annealing activates the more stable Mg acceptors and passivates C acceptors. Consequently, only the ABE line related to Mg is dominant in PL spectra...

Metallated metal-organic frameworks

Energy Technology Data Exchange (ETDEWEB)

Bury, Wojciech; Farha, Omar K.; Hupp, Joseph T.; Mondloch, Joseph E.

2017-08-22

Porous metal-organic frameworks (MOFs) and metallated porous MOFs are provided. Also provided are methods of metallating porous MOFs using atomic layer deposition and methods of using the metallated MOFs as catalysts and in remediation applications.

Phase diagram of interfacial growth modes by vapor deposition and its application for ZnO nanostructures

Science.gov (United States)

Shu, Da-Jun; Xiong, Xiang; Liu, Ming; Wang, Mu

2017-09-01

Interfacial growth from vapor has been extensively studied. However, a straightforward picture of the growth mode under different growth conditions is still lacking. In this paper, we develop a comprehensive interfacial growth theory based on the stochastic approach. Using a critical interisland separation, we construct a general phase diagram of the growth modes. It has been revealed that if the Ehrlich-Schwoebel barrier EES is smaller than a critical value, the interfacial growth proceeds in a layer-by-layer (LBL) mode at any deposition rate. However, if EES is larger than the critical value, LBL growth occurs only at very small or very large deposition rates relative to the intralayer hopping rate, and multilayer (ML) growth occurs at a moderate deposition rate. Experiments with zinc oxide growth by chemical vapor deposition have been designed to qualitatively demonstrate the theoretical model. By changing the flux of the carrier gas (nitrogen gas) in chemical vapor deposition, we realize LBL, ML, and then reentrance of LBL homoepitaxial growth of ZnO successively. Moreover, we find that surface kinetics of ZnO is suppressed by decreasing oxygen partial pressure by comparing the experimental observations and theoretical models, which is supported by our recent first-principles calculations. Since the influence of the substrate and the growth species on growth can approximately be represented by binding energy and surface kinetics, we suggest that the phase diagram is essential for interfacial growth of different materials by vapor deposition.

Thin films of metal-organic compounds and metal nanoparticle

Indian Academy of Sciences (India)

Thin films of metal-organic compounds and metal nanoparticle-embedded polymers for nonlinear optical applications. S Philip Anthony Shatabdi Porel D ... Thin films based on two very different metal-organic systems are developed and some nonlinear optical applications are explored. A family of zinc complexes which ...

Characterization of RuO sub 2 electrodes for ferroelectric thin films prepared by metal-organic chemical-vapor deposition using Ru(C sub 1 sub 1 H sub 1 sub 9 O sub 2) sub 3

CERN Document Server

Lee, J M; Shin, J C; Hwang, C S; Kim, H J; Suk, C G

1999-01-01

Pure and conducting RuO sub 2 thin films were deposited on Si substrates at 250 approx 450 .deg. C using Ru(C sub 1 sub 1 H sub 1 sub 9 O sub 2) sub 3 as a precursor by low-pressure metal-organic chemical-vapor deposition (LP-MOCVD). At a lower deposition temperature,smoother and denser RuO sub 2 thin films were deposited. The RuO sub 2 thin films, which were crack free, adhered well onto the substrates and showed very low resistivities around 45 approx 60 mu OMEGA cm. RuO sub 2 thin films on (Ba, Sr)/TiO sub 3 /Pt/SiO sub 2 /Si showed good properties, indicating that MOCVD RuO sub 2 thin films from Ru(C sub 1 sub 1 H sub 1 sub 9 O sub 2) sub 3 can be applied as electrodes of high-dielectric thin films for capacitors in ultra-large-scale DRAMs.

Reduced thermal budget processing of Y-Ba-Cu-O films by rapid isothermal processing assisted metalorganic chemical vapor deposition

International Nuclear Information System (INIS)

Singh, R.; Sinha, S.; Hsu, N.J.; Ng, J.T.C.; Chou, P.; Thakur, R.P.S.; Narayan, J.

1991-01-01

Metalorganic chemical vapor deposition (MOCVD) has the potential of emerging as a viable technique to fabricate ribbons, tapes, coated wires, and the deposition of films of high-temperature superconductors, and related materials. As a reduced thermal budget processing technique, rapid isothermal processing (RIP) based on incoherent radiation as the source of energy can be usefully coupled to conventional MOCVD. In this paper we report on the deposition and characterization of high quality superconducting thin films of Y-Ba-Cu-O (YBCO) on yttrium stabilized zirconia substrates by RIP assisted MOCVD. Using O 2 gas as the source of oxygen, YBCO films deposited initially at 600 degree C for 1 min and at 745 degree C for 25 min followed by deposition at 780 degree C for 45 s are primarily c-axis oriented and zero resistance is observed at 89--90 K. The zero magnetic field current density at 53 and 77 K are 1.2x10 6 and 3x10 5 A/cm 2 , respectively. By using a mixture of N 2 O and O 2 as the oxygen source substrate temperature was further reduced in the deposition of YBCO films. The films deposited initially at 600 degree C for 1 min and than at 720 degree C for 30 min are c-axis oriented and with zero resistance being observed at 91 K. The zero magnetic field current densities at 53 and 77 K are 3.4x10 6 and 1.2x10 6 A/cm 2 , respectively. To the best of our knowledge this is the highest value of critical current density, J c for films deposited by MOCVD at a substrate temperature as low as 720 degree C. It is envisioned that high energy photons from the incoherent light source and the use of a mixture of N 2 O and O 2 as the oxygen source, assist chemical reactions and lower overall thermal budget for processing of these films

New mechanism for autocatalytic decomposition of H2CO3 in the vapor phase.

Science.gov (United States)

Ghoshal, Sourav; Hazra, Montu K

2014-04-03

In this article, we present high level ab initio calculations investigating the energetics of a new autocatalytic decomposition mechanism for carbonic acid (H2CO3) in the vapor phase. The calculation have been performed at the MP2 level of theory in conjunction with aug-cc-pVDZ, aug-cc-pVTZ, and 6-311++G(3df,3pd) basis sets as well as at the CCSD(T)/aug-cc-pVTZ level. The present study suggests that this new decomposition mechanism is effectively a near-barrierless process at room temperature and makes vapor phase of H2CO3 unstable even in the absence of water molecules. Our calculation at the MP2/aug-cc-pVTZ level predicts that the effective barrier, defined as the difference between the zero-point vibrational energy (ZPE) corrected energy of the transition state and the total energy of the isolated starting reactants in terms of bimolecular encounters, is nearly zero for the autocatalytic decomposition mechanism. The results at the CCSD(T)/aug-cc-pVTZ level of calculations suggest that the effective barrier, as defined above, is sensitive to some extent to the levels of calculations used, nevertheless, we find that the effective barrier height predicted at the CCSD(T)/aug-cc-pVTZ level is very small or in other words the autocatalytic decomposition mechanism presented in this work is a near-barrierless process as mentioned above. Thus, we suggest that this new autocatalytic decomposition mechanism has to be considered as the primary mechanism for the decomposition of carbonic acid, especially at its source, where the vapor phase concentration of H2CO3 molecules reaches its highest levels.

Control of residual carbon concentration in GaN high electron mobility transistor and realization of high-resistance GaN grown by metal-organic chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

He, X.G. [State Key Laboratory on Integrated Optoelectronics, Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083 (China); Zhao, D.G., E-mail: dgzhao@red.semi.ac.cn [State Key Laboratory on Integrated Optoelectronics, Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083 (China); Jiang, D.S.; Liu, Z.S.; Chen, P.; Le, L.C.; Yang, J.; Li, X.J. [State Key Laboratory on Integrated Optoelectronics, Institute of Semiconductors, Chinese Academy of Sciences, P.O. Box 912, Beijing 100083 (China); Zhang, S.M.; Zhu, J.J.; Wang, H.; Yang, H. [Suzhou Institute of Nano-tech and Nano-bionics, Chinese Academy of Sciences, Suzhou 215125 (China)

2014-08-01

GaN films were grown by metal-organic chemical vapor deposition (MOCVD) under various growth conditions. The influences of MOCVD growth parameters, i.e., growth pressure, ammonia (NH{sub 3}) flux, growth temperature, trimethyl-gallium flux and H{sub 2} flux, on residual carbon concentration ([C]) were systematically investigated. Secondary ion mass spectroscopy measurements show that [C] can be effectively modulated by growth conditions. Especially, it can increase by reducing growth pressure up to two orders of magnitude. High-resistance (HR) GaN epilayer with a resistivity over 1.0 × 10{sup 9} Ω·cm is achieved by reducing growth pressure. The mechanism of the formation of HR GaN epilayer is discussed. An Al{sub x}Ga{sub 1−x}N/GaN high electron mobility transistor structure with a HR GaN buffer layer and an additional low-carbon GaN channel layer is presented, exhibiting a high two dimensional electron gas mobility of 1815 cm{sup 2}/Vs. - Highlights: • Influence of MOCVD parameters on residual carbon concentration in GaN is studied. • GaN layer with a resistivity over 1 × 10{sup 9} Ω·cm is achieved by reducing growth pressure. • High electron mobility transistor (HEMT) structures were prepared. • Control of residual carbon content results in HEMT with high 2-D electron gas mobility.

Electrospray droplet exposure to organic vapors: metal ion removal from proteins and protein complexes.

Science.gov (United States)

DeMuth, J Corinne; McLuckey, Scott A

2015-01-20

The exposure of aqueous nanoelectrospray droplets to various organic vapors can dramatically reduce sodium adduction on protein ions in positive ion mass spectra. Volatile alcohols, such as methanol, ethanol, and isopropanol lead to a significant reduction in sodium ion adduction but are not as effective as acetonitrile, acetone, and ethyl acetate. Organic vapor exposure in the negative ion mode, on the other hand, has essentially no effect on alkali ion adduction. Evidence is presented to suggest that the mechanism by which organic vapor exposure reduces alkali ion adduction in the positive mode involves the depletion of alkali metal ions via ion evaporation of metal ions solvated with organic molecules. The early generation of metal/organic cluster ions during the droplet desolvation process results in fewer metal ions available to condense on the protein ions formed via the charged residue mechanism. These effects are demonstrated with holomyoglobin ions to illustrate that the metal ion reduction takes place without detectable protein denaturation, which might be revealed by heme loss or an increase in charge state distribution. No evidence is observed for denaturation with exposure to any of the organic vapors evaluated in this work.

Methane storage in metal-organic frameworks.

Science.gov (United States)

He, Yabing; Zhou, Wei; Qian, Guodong; Chen, Banglin

2014-08-21

Natural gas (NG), whose main component is methane, is an attractive fuel for vehicular applications. Realization of safe, cheap and convenient means and materials for high-capacity methane storage can significantly facilitate the implementation of natural gas fuelled vehicles. The physisorption based process involving porous materials offers an efficient storage methodology and the emerging porous metal-organic frameworks have been explored as potential candidates because of their extraordinarily high porosities, tunable pore/cage sizes and easily immobilized functional sites. In this view, we provide an overview of the current status of metal-organic frameworks for methane storage.

Vapor-transport of tungsten and its geologic application

Energy Technology Data Exchange (ETDEWEB)

Shibue, Y [Hyogo Univ. of Teacher Education, Hyogo (Japan)

1988-11-10

The volatility of tungsten in a hydrous system at elevated temperatures and pressures was examined, and a tentative model for the enrichment of tungsten in hydrothermal solutions for the deposits related to granitic activities was proposed. To produce vapor-saturated solution, 17 or 15ml of 20wt% NaCl solution was introduced into an autoclave. Ca(OH){sub 2} for tungsten and H{sub 2}WO{sub 4} for base metals were used as vapor-captures, and run products were identified by X-ray powder diffractometry. The results suggested that the ratio of tungsten to base metals was higher in a vapor phase than in a liquid phase, and more enrichment of tungsten in the vapor phase occurred at higher temperature and pressure under the coexistence of the vapor and liquid phase. The tentative model emphasizing the vapor-transport of tungsten could explain the presence of tungsten deposits without large mineralization of base metals. Geological schematic model for the generation of the hydrothermal solution enriched in tungsten compared with base metals was illustrated based on above mentioned results. 21 refs., 3 figs.

Processing of CuInSe{sub 2}-based solar cells: Characterization of deposition processes in terms of chemical reaction analyses. Phase 2 Annual Report, 6 May 1996--5 May 1997

Energy Technology Data Exchange (ETDEWEB)

Anderson, T.

1999-10-20

This report describes research performed by the University of Florida during Phase 2 of this subcontract. First, to study CIGS, researchers adapted a contactless, nondestructive technique previously developed for measuring photogenerated excess carrier lifetimes in SOI wafers. This dual-beam optical modulation (DBOM) technique was used to investigate the differences between three alternative methods of depositing CdS (conventional chemical-bath deposition [CBD], metal-organic chemical vapor deposition [MOCVD], and sputtering). Second, a critical assessment of the Cu-In-Se thermochemical and phase diagram data using standard CALPHAD procedures is being performed. The outcome of this research will produce useful information on equilibrium vapor compositions (required annealing ambients, Sex fluxes from effusion cells), phase diagrams (conditions for melt-assisted growth), chemical potentials (driving forces for diffusion and chemical reactions), and consistent solution models (extents of solid solutions and extending phase diagrams). Third, an integrated facility to fabricate CIS PV devices was established that includes migration-enhanced epitaxy (MEE) for deposition of CIS, a rapid thermal processing furnace for absorber film formation, sputtering of ZnO, CBD or MOCVD of CdS, metallization, and pattern definition.

Phase diagram of nanoscale alloy particles used for vapor-liquid-solid growth of semiconductor nanowires.

Science.gov (United States)

Sutter, Eli; Sutter, Peter

2008-02-01

We use transmission electron microscopy observations to establish the parts of the phase diagram of nanometer sized Au-Ge alloy drops at the tips of Ge nanowires (NWs) that determine their temperature-dependent equilibrium composition and, hence, their exchange of semiconductor material with the NWs. We find that the phase diagram of the nanoscale drop deviates significantly from that of the bulk alloy, which explains discrepancies between actual growth results and predictions on the basis of the bulk-phase equilibria. Our findings provide the basis for tailoring vapor-liquid-solid growth to achieve complex one-dimensional materials geometries.

Stress-induced chemical detection using flexible metal-organic frameworks.

Science.gov (United States)

Allendorf, Mark D; Houk, Ronald J T; Andruszkiewicz, Leanne; Talin, A Alec; Pikarsky, Joel; Choudhury, Arnab; Gall, Kenneth A; Hesketh, Peter J

2008-11-05

In this work we demonstrate the concept of stress-induced chemical detection using metal-organic frameworks (MOFs) by integrating a thin film of the MOF HKUST-1 with a microcantilever surface. The results show that the energy of molecular adsorption, which causes slight distortions in the MOF crystal structure, can be converted to mechanical energy to create a highly responsive, reversible, and selective sensor. This sensor responds to water, methanol, and ethanol vapors, but yields no response to either N2 or O2. The magnitude of the signal, which is measured by a built-in piezoresistor, is correlated with the concentration and can be fitted to a Langmuir isotherm. Furthermore, we show that the hydration state of the MOF layer can be used to impart selectivity to CO2. Finally, we report the first use of surface-enhanced Raman spectroscopy to characterize the structure of a MOF film. We conclude that the synthetic versatility of these nanoporous materials holds great promise for creating recognition chemistries to enable selective detection of a wide range of analytes.

Direct Adsorption and Molecular Self-Assembly of Octylthioacetates on Au(111) in the Vapor Phase

International Nuclear Information System (INIS)

Park, Tae Sung; Kang, Hun Gu; Kim, You Young; Lee, Seong Keun; Noh, Jae Geun

2011-01-01

We demonstrate that the direct adsorption of OTA on Au(111) in ethanol solution led to the formation of a disordered phase, whereas OTA SAMs grown from the vapor phase have an ordered 5 Χ √3 striped phase. Thus, vapor deposition was found to be a more effective technique, as compared to solution deposition, for improving the structural order of SAMs by direct adsorption of thioacetates on gold. Organic thiols are prone to easily oxidize to disulfides or other oxidized species that can affect the formation and structure of SAMs. The presence of disulfides or oxidized compounds in thiol samples often yields poorly ordered SAMs containing a high defect density and disordered phases. An approach that minimizes undesirable thiol oxidation is the use of a protected thiol that is deprotected in situ before or during SAM formation. The protection of thiol groups can be readily accomplished by acetylation. SAMs derived from acetyl protected thiols (thioacetates) on gold have usually been formed via an in situ deprotection process of the acetyl group in strong acidic or basic solutions. Other deprotection techniques have also been developed that use organic compounds such as triethylamine, tetrabutylammonium cyanide, and 1,8-diazabicyclo[5.4.0]undec-7-ene, and organic SAMs with a high degree of structural order have been successfully constructed in solutions containing these deprotection reagents

Growth and Characterization of (211)B Cadmium Telluride Buffer Layer Grown by Metal-organic Vapor Phase Epitaxy on Nanopatterned Silicon for Mercury Cadmium Telluride Based Infrared Detector Applications

Science.gov (United States)

Shintri, Shashidhar S.

Mercury cadmium telluride (MCT or Hg1-xCdxTe) grown by molecular beam epitaxy (MBE) is presently the material of choice for fabricating infrared (IR) detectors used in night vision based military applications. The focus of MCT epitaxy has gradually shifted since the last decade to using Si as the starting substrate since it offers several advantages. But the ˜19 % lattice mismatch between MCT and Si generates lots of crystal defects some of which degrade the performance of MCT devices. Hence thick CdTe films are used as buffer layers on Si to accommodate the defects. However, growth of high quality single crystal CdTe on Si is challenging and to date, the best MBE CdTe/Si reportedly has defects in the mid-105 cm -2 range. There is a critical need to reduce the defect levels by at least another order of magnitude, which is the main motivation behind the present work. The use of alternate growth technique called metal-organic vapor phase epitaxy (MOVPE) offers some advantages over MBE and in this work MOVPE has been employed to grow the various epitaxial films. In the first part of this work, conditions for obtaining high quality (211)B CdTe epitaxy on (211)Si were achieved, which also involved studying the effect of having additional intermediate buffer layers such as Ge and ZnTe and incorporation of in-situ thermal cyclic annealing (TCA) to reduce the dislocation density. A critical problem of Si cross-contamination due to 'memory effect' of different reactant species was minimized by introducing tertiarybutylArsine (TBAs) which resulted in As-passivation of (211)Si. The best 8-10 µm thick CdTe films on blanket (non-patterned) Si had dislocations around 3×105 cm-2, which are the best reported by MOVPE till date and comparable to the highest quality films available by MBE. In the second part of the work, nanopatterned (211)Si was used to study the effect of patterning on the crystal quality of epitaxial CdTe. In one such study, patterning of ˜20 nm holes in SiO2

Low temperature vapor phase digestion of graphite

Energy Technology Data Exchange (ETDEWEB)

Pierce, Robert A.

2017-04-18

A method for digestion and gasification of graphite for removal from an underlying surface is described. The method can be utilized to remove graphite remnants of a formation process from the formed metal piece in a cleaning process. The method can be particularly beneficial in cleaning castings formed with graphite molding materials. The method can utilize vaporous nitric acid (HNO.sub.3) or vaporous HNO.sub.3 with air/oxygen to digest the graphite at conditions that can avoid damage to the underlying surface.

VLE measurements using a static cell vapor phase manual sampling method accompanied with an empirical data consistency test

International Nuclear Information System (INIS)

Freitag, Joerg; Kosuge, Hitoshi; Schmelzer, Juergen P.; Kato, Satoru

2015-01-01

Highlights: • We use a new, simple static cell vapor phase manual sampling method (SCVMS) for VLE (x, y, T) measurement. • The method is applied to non-azeotropic, asymmetric and two-liquid phase forming azeotropic binaries. • The method is approved by a data consistency test, i.e., a plot of the polarity exclusion factor vs. pressure. • The consistency test reveals that with the new SCVMS method accurate VLE near ambient temperature can be measured. • Moreover, the consistency test approves that the effect of air in the SCVMS system is negligible. - Abstract: A new static cell vapor phase manual sampling (SCVMS) method is used for the simple measurement of constant temperature x, y (vapor + liquid) equilibria (VLE). The method was applied to the VLE measurements of the (methanol + water) binary at T/K = (283.2, 298.2, 308.2 and 322.9), asymmetric (acetone + 1-butanol) binary at T/K = (283.2, 295.2, 308.2 and 324.2) and two-liquid phase forming azeotropic (water + 1-butanol) binary at T/K = (283.2 and 298.2). The accuracy of the experimental data was approved by a data consistency test, that is, an empirical plot of the polarity exclusion factor, β, vs. the system pressure, P. The SCVMS data are accurate, because the VLE data converge to the same lnβ vs. lnP straight line determined from conventional distillation-still method and a headspace gas chromatography method

Crystallographic dependent in-situ CBr4 selective nano-area etching and local regrowth of InP/InGaAs by MOVPE

DEFF Research Database (Denmark)

Kuznetsova, Nadezda; Kulkova, Irina; Semenova, Elizaveta

2014-01-01

Selective area etching and growth in the metalorganic vapor phase epitaxy (MOVPE) reactor on nano-scale structures have been examined. Using different mask orientations, crystallographic dependent etching of InP can be observed when carbon tetrabromide (CBr4) is used as an etchant. Scanning...

The gas phase emitter effect of lanthanum within ceramic metal halide lamps and its dependence on the La vapor pressure and operating frequency

Energy Technology Data Exchange (ETDEWEB)

Ruhrmann, C.; Hoebing, T.; Bergner, A.; Groeger, S.; Awakowicz, P.; Mentel, J. [Electrical Engineering and Plasma Technology, Ruhr University Bochum, D-44780 Bochum (Germany); Denissen, C.; Suijker, J. [Philips Lighting, Category Professional Lamps, P.O. Box 80020, NL-5600JM Eindhoven (Netherlands)

2015-08-07

The gas phase emitter effect increases the lamp lifetime by lowering the work function and, with it, the temperature of the tungsten electrodes of metal halide lamps especially for lamps in ceramic vessels due to their high rare earth pressures. It is generated by a monolayer on the electrode surface of electropositive atoms of certain emitter elements, which are inserted into the lamp bulb by metal iodide salts. They are vaporized, dissociated, ionized, and deposited by an emitter ion current onto the electrode surface within the cathodic phase of lamp operation with a switched-dc or ac-current. The gas phase emitter effect of La and the influence of Na on the emitter effect of La are studied by spatially and phase-resolved pyrometric measurements of the electrode tip temperature, La atom, and ion densities by optical emission spectroscopy as well as optical broadband absorption spectroscopy and arc attachment images by short time photography. An addition of Na to the lamp filling increases the La vapor pressure within the lamp considerably, resulting in an improved gas phase emitter effect of La. Furthermore, the La vapor pressure is raised by a heating of the cold spot. In this way, conditions depending on the La vapor pressure and operating frequency are identified, at which the temperature of the electrodes becomes a minimum.

Vapor-liquid Phase Equilibria for CO2+Tertpentanol Binary System at Elevated Pressures

Institute of Scientific and Technical Information of China (English)

WANG Lin; LUO Jian-cheng; YANG Hao; CHEN Kai-xun

2011-01-01

Vapor-liquid phase equilibrium data of tertpentanol in carbon dioxide were measured at temperatures of 313.4,323.4,333.5 and 343.5 K and in the pressure range of 4.56-11.44 MPa.The phase equilibium apparatus used in the work was a variable-volume high-pressure cell.The experimental data were reasonably correlated with Peng-Robinson equation of state(PR-EOS) together with van der Waals-2 two-parameter mixing rules.Henry's Law constants and partial molar volumes of CO2 at infinite dilution were estimated with Krichevsky-Kasarnovsky equation,and Henry's Law constants increase with increasing temperature,however,partial molar volumes of CO2 at infinite dilution are negative whose magnitudes decrease with temperature.Partial molar volumes of CO2 and tertpentanol in liquid phase at equilibrium were calculated.

Managing amalgam phase down: An evaluation of mercury vapor levels in a dental center in Lagos, Nigeria

Directory of Open Access Journals (Sweden)

Adolphous Odofin Loto

2017-01-01

Full Text Available Background: Occupational exposure to elemental mercury vapor in a dental setting is mainly through inhalation exposure during preparation, insertion, polishing, and removal of amalgam fillings including storage of amalgam waste before disposal. This study aims to determine the indoor air levels of elemental mercury vapor in the dental operatories and ancillary sites at the Lagos State University Teaching Hospital (LASUTH. Materials and Methods: Samples of the ambient air were taken at seven locations the Dental Center of LASUTH by a trained technician between 9:00 and 11:00 a.m. This was done at a predetermined height (41/2feet above the floor for mercury vapor concentration using Lumex 915 light data logger mercury vapor analyzer manufactured by Ohio Lumex Company Incorporation, USA®. Results: The highest level of 1434 ng/m3 of mercury vapor in the air was found in the restorative clinic while the lowest of 23 ng Hg/m3 was found in the ambient air at the entrance of the dental Center. The Oral Surgery clinic had mercury vapor level of 318 ng/m3 which was slightly higher than Environmental Protection Agency recommended value of 0.3 μg/m3. Conclusion: An unacceptably high level of mercury vapor was detected, especially in the restorative clinic. Every dental clinic should have its ambient air evaluated for mercury vapor level for the purpose of forming a baseline data for monitoring purposes during the period of phase down of amalgam use. Best practices should also be instituted to reduce the level of exposure of patients and dental care workers to mercury vapor.

Minerals with metal-organic framework structures.

Science.gov (United States)

Huskić, Igor; Pekov, Igor V; Krivovichev, Sergey V; Friščić, Tomislav

2016-08-01

Metal-organic frameworks (MOFs) are an increasingly important family of advanced materials based on open, nanometer-scale metal-organic architectures, whose design and synthesis are based on the directed assembly of carefully designed subunits. We now demonstrate an unexpected link between mineralogy and MOF chemistry by discovering that the rare organic minerals stepanovite and zhemchuzhnikovite exhibit structures found in well-established magnetic and proton-conducting metal oxalate MOFs. Structures of stepanovite and zhemchuzhnikovite, exhibiting almost nanometer-wide and guest-filled apertures and channels, respectively, change the perspective of MOFs as exclusively artificial materials and represent, so far, unique examples of open framework architectures in organic minerals.

System Model of Heat and Mass Transfer Process for Mobile Solvent Vapor Phase Drying Equipment

Directory of Open Access Journals (Sweden)

Shiwei Zhang

2014-01-01

Full Text Available The solvent vapor phase drying process is one of the most important processes during the production and maintenance for large oil-immersed power transformer. In this paper, the working principle, system composition, and technological process of mobile solvent vapor phase drying (MVPD equipment for transformer are introduced in detail. On the basis of necessary simplification and assumption for MVPD equipment and process, a heat and mass transfer mathematical model including 40 mathematical equations is established, which represents completely thermodynamics laws of phase change and transport process of solvent, water, and air in MVPD technological processes and describes in detail the quantitative relationship among important physical quantities such as temperature, pressure, and flux in key equipment units and process. Taking a practical field drying process of 500 KV/750 MVA power transformer as an example, the simulation calculation of a complete technological process is carried out by programming with MATLAB software and some relation curves of key process parameters changing with time are obtained such as body temperature, tank pressure, and water yield. The change trend of theoretical simulation results is very consistent with the actual production record data which verifies the correctness of mathematical model established.

The influence of temperature on the polymerization of ethyl cyanoacrylate from the vapor phase

Energy Technology Data Exchange (ETDEWEB)

Dadmun, Mark D [ORNL; Algaier, Dana [University of Tennessee, Knoxville (UTK); Baskaran, Durairaj [University of Tennessee, Knoxville (UTK)

2011-01-01

The polymerization of ethyl cyanoacrylate fumes from surface bound initiators is an important step in many novel and mature technologies. Understanding the effect of temperature on the rate of poly(ethyl cyanoacrylate) (PECA) growth and its molecular weight during its polymerization from the vapor phase from surface bound initiators provides insight into the important mechanistic aspects that impact the polymerizations success. In these studies, it is shown that the amount of PECA formed during the polymerization of ECA from a latent fingerprint increases with decreasing temperature, while the polymer molecular weight varies little. This is interpreted to be the result of the loosening of the ion pair that initiates the polymer chain growth and resides on the end of the growing polymer chain with decreasing temperature. Comparison of temperature effects and counter-ion studies show that in both cases loosening the ion pair results in the formation of more polymer with similar molecular weight, verifying this interpretation. These results further suggest that lowering the temperature may be an effective method to optimize anionic vapor phase polymerizations, including the improvement of the quality of aged latent prints and preliminary results are presented that substantiate this prediction.

Design of a safe facility for the metalorganic chemical vapor deposition of high-purity GaAs and AlGaAs

Science.gov (United States)

Messham, R. L.; Tucker, W. K.

1986-09-01

A metalorganic chemical vapor deposition (MOCVD) facility designed to safely handle highly toxic and pyrophoric growth materials is described. The system concept is based on remote operation, passive flow restriction, and forced air dilution to maintain safe gas concentrations under normal running and catastrophic system failure conditions. MOCVD is a key materials technology for advanced high-frequency optical and microwave devices. At this time, the use of highly toxic arsine as an arsenic source is dictated by critical device purity, reproducibility, and doping control requirements. The handling and use of this gas is a primary feature in the design of any safe facility for MOCVD growth of high-quality GaAs/AlGaAs. After a critical review of presently available effluent treatment techniques, it was concluded that a combination of flow restriction and dilution presented the most reliable treatment. Measured flow rates through orifices from 0.002 to 0.005 inch in diameter were compared to calculated values. A 0.002 inch orifice located in the cylinder valve or CGA fitting, combined with a cylinder of pure liquid arsine (205 psi), limits the maximum gas flow to ≪1 lpm. Such a flow can then be vented through a dedicated exhaust system where an additional forced injection of diluting air reduces the gas concentration to acceptable levels. In the final Westinghouse R&D Center design, the use of low-pressure pure arsine, flow restriction, and stack air injection has reduced the maximum stack exist gas concentration to below 25% of the IDLH level for arsine under total and catastrophic MOCVD facility equipment failure conditions. The elimination of potential problems with purging behind such orifices using carefully designed purging procedures and a microprocessor-controlled purging system are described. The IDLH level is defined by the OSHA and NIOSH standards completion program and represents the maximum level from which one could escape within 30 min without any

Magnetic metal-organic frameworks for fast and efficient solid-phase extraction of six Sudan dyes in tomato sauce.

Science.gov (United States)

Shi, Xin-Ran; Chen, Xue-Lei; Hao, Yu-Lan; Li, Li; Xu, Hou-Jun; Wang, Man-Man

2018-06-01

Magnetic solid-phase extraction is an effective and useful technique to preconcentrate trace analytes from food samples. In this study, a magnetic trimeric chromium octahedral metal-organic framework (Fe 3 O 4 -NH 2 @MIL-101) was fabricated and characterized. Fe 3 O 4 -NH 2 @MIL-101 was applied as an adsorbent of magnetic solid-phase extraction combined with high performance liquid chromatography to effectively isolate and simultaneously determine six Sudan dyes (Para Red, Sudan I-IV, and Sudan Red 7B) from tomato sauce. Potential factors affecting the MSPE were investigated in detail, and adsorption efficiency of Fe 3 O 4 -NH 2 @MIL-101 was compared with those of conventional adsorbents, such as neutral alumina, HLB, and C 18 . The developed method facilitated the extraction with using only 3 mg of adsorbent in 2 min. In addition, enhancement factors of 50, linear range of 0.01-25 μg/mL, and detection limit (S/N = 3) of 0.5-2.5 μg/kg were obtained. The intra-day and inter-day recoveries for spiked Sudan dyes were in the range of 72.6%-92.9% and 69.6%-91.6%, respectively, with relative standard deviations of ≤9.2%. Copyright © 2018 Elsevier B.V. All rights reserved.

Field-induced phase transition in a metalorganic spin-dimer system-a potential model system to study Bose-Einstein condensation of magnons

International Nuclear Information System (INIS)

Tsui, Y.; Bruehl, A.; Removic-Langer, K.; Pashchenko, V.; Wolf, B.; Donath, G.; Pikul, A.; Kretz, T.; Lerner, H.-W.; Wagner, M.; Salguero, A.; Saha-Dasgupta, T.; Rahaman, B.; Valenti, R.; Lang, M.

2007-01-01

We report on the results obtained from studying electron spin resonance, magnetic susceptibility, specific heat and thermal expansion experiments on a metalorganic spin-dimer system, C 36 H 48 Cu 2 F 6 N 8 O 12 S 2 (TK91). According to the first principle Density Functional Theory calculations, the compound represents a 3D-coupled dimer system with intradimer coupling J 1 /k B ∼ 10K and interdimer couplings J 2 /k B ∼J 3 /k B ∼ 1K. The measurements have been performed on both pressed powder and single-crystal samples in external magnetic fields up to 12T and at low temperatures down to ∼ 0.2K. Susceptibility measurements reveal a spin-gap behavior consistent with the theoretical results. Furthermore, clear indications of a field-induced phase transition have been observed. A similar field-induced phase transition was also detected in an inorganic compound TlCuCl 3 and was interpreted as Bose-Einstein condensation (BEC) of magnons. The possibility of changing both the intradimer and interdimer couplings in TK91 by chemical substitutions makes the system a potentially good system to study BEC of magnons

High temperature vapors science and technology

CERN Document Server

Hastie, John

2012-01-01

High Temperature Vapors: Science and Technology focuses on the relationship of the basic science of high-temperature vapors to some areas of discernible practical importance in modern science and technology. The major high-temperature problem areas selected for discussion include chemical vapor transport and deposition; the vapor phase aspects of corrosion, combustion, and energy systems; and extraterrestrial high-temperature species. This book is comprised of seven chapters and begins with an introduction to the nature of the high-temperature vapor state, the scope and literature of high-temp

Growth of metal-organic framework HKUST-1 in capillary using liquid-phase epitaxy for open-tubular capillary electrochromatography and capillary liquid chromatography.

Science.gov (United States)

Bao, Tao; Zhang, Juan; Zhang, Wenpeng; Chen, Zilin

2015-02-13

Much attention is being paid to applying metal-organic frameworks (MOFs) as stationary phases in chromatography because of their fascinating properties, such as large surface-to-volume ratios, high levels of porosity, and selective adsorption. HKUST-1 is one of the best-studied face-centered-cubic MOF containing nano-sized channels and side pockets for film growth. However, growth of HKUST-1 framework inside capillary column as stationary phase for capillary electrochromatography is a challenge work. In this work, we carry out the growth of HKUST-1 on the inner wall of capillary by using liquid-phase epitaxy process at room temperature. The fabricated HKUST-1@capillary can be successfully used for the separation of substituted benzene including methylbenzene, ethylbenzene, styrene, chlorobenzene, bromobenzene, o-dichlorobenzene, benzene series, phenolic acids, and benzoic acids derivates. High column efficiency of 1.5×10(5) N/m for methylbenzene was achieved. The formation of HKUST-1 grown in the capillary was confirmed and characterized by scanning electron microscopy images, Fourier transform infrared spectra and X-ray diffraction. The column showed long lifetime and excellent stability. The relative standard deviations for intra-day and inter-day repeatability of the HKUST-1@capillary were lower than 7%. Copyright © 2015 Elsevier B.V. All rights reserved.

GaN:Co epitaxial layers grown by MOVPE

Czech Academy of Sciences Publication Activity Database

Šimek, P.; Sedmidubský, D.; Klímová, K.; Mikulics, M.; Maryško, Miroslav; Veselý, M.; Jurek, Karel; Sofer, Z.

2015-01-01

Roč. 44, Mar (2015), 62-68 ISSN 0022-0248 R&D Projects: GA ČR GA13-20507S Institutional support: RVO:68378271 Keywords : doping * metalorganic vapor phase epitaxy * cobalt * gallium compounds * nitrides * magnetic materials spintronics Subject RIV: CA - Inorganic Chemistry Impact factor: 1.462, year: 2015

Surface Plasmons on Highly Doped InP

DEFF Research Database (Denmark)

Panah, Mohammad Esmail Aryaee; Ottaviano, Luisa; Semenova, Elizaveta

2016-01-01

Silicon doped InP is grown by metal-organic vapor phase epitaxy (MOVPE) using optimized growth parameters to achieve high free carrier concentration. Reflectance of the grown sample in mid-IR range is measured using FTIR and the result is used to retrieve the parameters of the dielectric function...

THE EFFECT OF WATER (VAPOR-PHASE) AND CARBON ON ELEMENTAL MERCURY REMOVAL IN A FLOW REACTOR

Science.gov (United States)

The paper gives results of studying the effect of vapor-phase moisture on elemental mercury (Hgo) removal by activated carbon (AC) in a flow reactor. tests involved injecting AC into both a dry and a 4% moisture nitrogen (N2) /Hgo gas stream. A bituminous-coal-based AC (Calgon WP...

Growth of NH4Cl Single Crystal from Vapor Phase in Vertical Furnace

Science.gov (United States)

Nigara, Yutaka; Yoshizawa, Masahito; Fujimura, Tadao

1983-02-01

A pure and internally stress-free single crystal of NH4Cl was grown successfully from the vapor phase. The crystal measured 1.6 cmφ× 2 cm and had the disordered CsCl structure, which was stable below 184°C. The crystal was grown in an ampoule in a vertical furnace, in which the vapor was efficiently transported both by diffusion and convection. In line with the growth mechanism of a single crystal, the temperature fluctuation (°C/min) on the growth interface was kept smaller than the product of the temperature gradient (°C/cm) and the growth rate (cm/min). The specific heat of the crystal was measured around -31°C (242 K) during cooling and heating cycles by AC calorimetry. The thermal hysteresis (0.4 K) obtained here was smaller than that (0.89 K) of an NH4Cl crystal grown from its aqueous solution with urea added as a habit modifier.

Metal-adeninate vertices for the construction of an exceptionally porous metal-organic framework.

Science.gov (United States)

An, Jihyun; Farha, Omar K; Hupp, Joseph T; Pohl, Ehmke; Yeh, Joanne I; Rosi, Nathaniel L

2012-01-03

Metal-organic frameworks comprising metal-carboxylate cluster vertices and long, branched organic linkers are the most porous materials known, and therefore have attracted tremendous attention for many applications, including gas storage, separations, catalysis and drug delivery. To increase metal-organic framework porosity, the size and complexity of linkers has increased. Here we present a promising alternative strategy for constructing mesoporous metal-organic frameworks that addresses the size of the vertex rather than the length of the organic linker. This approach uses large metal-biomolecule clusters, in particular zinc-adeninate building units, as vertices to construct bio-MOF-100, an exclusively mesoporous metal-organic framework. Bio-MOF-100 exhibits a high surface area (4,300 m(2) g(-1)), one of the lowest crystal densities (0.302 g cm(-3)) and the largest metal-organic framework pore volume reported to date (4.3 cm(3) g(-1)).

Liquid-phase and vapor-phase dehydration of organic/water solutions

Science.gov (United States)

Huang, Yu [Palo Alto, CA; Ly, Jennifer [San Jose, CA; Aldajani, Tiem [San Jose, CA; Baker, Richard W [Palo Alto, CA

2011-08-23

Processes for dehydrating an organic/water solution by pervaporation or vapor separation using fluorinated membranes. The processes are particularly useful for treating mixtures containing light organic components, such as ethanol, isopropanol or acetic acid.

Phase transition and luminescence properties from vapor etched silicon

International Nuclear Information System (INIS)

Aouida, S.; Saadoun, M.; Ben Saad, K.; Bessais, B.

2006-01-01

In this work, we present a study on the structure and photoluminescence (PL) properties of a non-conventional ammonium hexafluorosilicate (NH 4 ) 2 SiF 6 (white powder) obtained from HNO 3 /HF chemical vapor etching (CVE) of silicon wafers. The CVE method leads either to the formation of luminescent Porous Silicon (PS) or SiO x /Si-containing (NH 4 ) 2 SiF 6 depending on the experimental conditions. At specific conditions (i.e., HNO 3 / HF volume ratio > 1 / 4), the CVE technique can generate instead of PS, a (NH 4 ) 2 SiF 6 phase where SiO x /Si particles are embedded. The (NH 4 ) 2 SiF 6 marketed powder is not luminescent, while that obtained from silicon vapor-etching presents a noticeable intense and stable photoluminescence (PL), which was found to have mainly two shoulders at 1.98 and 2.1 eV. Two processes have been proposed to explain this PL property. First, the visible luminescence around 1.98 eV would come from silicon nanoparticles embedded in the powder, having a distribution size that does not allow SiO x species to influence their own PL. Second, the PL shoulder around 2.1 eV would originate from small silicon nanoparticles trapped in SiO x features, leading to oxide related states that may trap electrons or excitons, depending on the silicon nanoparticle size, wherein radiative recombination occurs. The PL shoulder could become broader at low temperatures suggesting the existence of radiative recombination in SiO x related defects

An Evaluation of the Vapor Phase Catalytic Ammonia Removal Process for Use in a Mars Transit Vehicle

Science.gov (United States)

Flynn, Michael; Borchers, Bruce

1998-01-01

An experimental program has been developed to evaluate the potential of the Vapor Phase Catalytic Ammonia Reduction (VPCAR) technology for use as a Mars Transit Vehicle water purification system. Design modifications which will be required to ensure proper operation of the VPCAR system in reduced gravity are also evaluated. The VPCAR system is an integrated wastewater treatment technology that combines a distillation process with high temperature catalytic oxidation. The distillation portion of the system utilizes a vapor compression distillation process to provide an energy efficient phase change separation. This portion of the system removes any inorganic salts and large molecular weight, organic contaminates, i.e., non-volatile, from the product water stream and concentrates these contaminates into a byproduct stream. To oxidize the volatile organic compounds and ammonia, a vapor phase, high temperature catalytic oxidizer is used. This catalytic system converts these compounds along with the aqueous product into CO2, H2O, and N2O. A secondary catalytic bed can then be used to reduce the N2O to nitrogen and oxygen (although not evaluated in this study). This paper describes the design specification of the VPCAR process, the relative benefits of its utilization in a Mars Transit Vehicle, and the design modification which will be required to ensure its proper operation in reduced gravity. In addition, the results of an experimental evaluation of the processors is presented. This evaluation presents the processors performance based upon product water purity, water recovery rates, and power.

Pollution level and distribution of PCDD/PCDF congeners between vapor phase and particulate phase in winter air of Dalian, China.

Science.gov (United States)

Wang, Wei; Qin, Songtao; Song, Yu; Xu, Qian; Ni, Yuwen; Chen, Jiping; Zhang, Xueping; Mu, Jim; Zhu, Xiuhua

2011-06-01

In December 2009, ambient air was sampled with active high-volume air samplers at two sites: on the roof of the No. l building of Dalian Jiaotong University and on the roof of the building of Dalian Meteorological Observatory. The concentrations and the congeners between vapor phase and particulate phase of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in the air were measured. Sample analysis results showed that the concentrations of PCDD/Fs in particulate phase was higher than that in gaseous phase. The ratio of PCDD to PCDF in gaseous phase and particulate phase was lower than 0.4 in all samples. The total I-TEQ value in gaseous phase and particulate phase was 5.5 and 453.8 fg/m(3) at Dalian Jiaotong University, 16.6 and 462.1 fg/m(3) at Dalian Meteorological Observatory, respectively. The I-TEQ value of Dalian atmosphere was 5.5-462.1 fg/m(3) which was lower than international standard, the atmospheric quality in Dalian is better. Copyright © 2011 The Research Centre for Eco-Environmental Sciences, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

Characterization of Adsorption Enthalpy of Novel Water-Stable Zeolites and Metal-Organic Frameworks

Science.gov (United States)

Kim, Hyunho; Cho, H. Jeremy; Narayanan, Shankar; Yang, Sungwoo; Furukawa, Hiroyasu; Schiffres, Scott; Li, Xiansen; Zhang, Yue-Biao; Jiang, Juncong; Yaghi, Omar M.; Wang, Evelyn N.

2016-01-01

Water adsorption is becoming increasingly important for many applications including thermal energy storage, desalination, and water harvesting. To develop such applications, it is essential to understand both adsorbent-adsorbate and adsorbate-adsorbate interactions, and also the energy required for adsorption/desorption processes of porous material-adsorbate systems, such as zeolites and metal-organic frameworks (MOFs). In this study, we present a technique to characterize the enthalpy of adsorption/desorption of zeolites and MOF-801 with water as an adsorbate by conducting desorption experiments with conventional differential scanning calorimetry (DSC) and thermogravimetric analyzer (TGA). With this method, the enthalpies of adsorption of previously uncharacterized adsorbents were estimated as a function of both uptake and temperature. Our characterizations indicate that the adsorption enthalpies of type I zeolites can increase to greater than twice the latent heat whereas adsorption enthalpies of MOF-801 are nearly constant for a wide range of vapor uptakes.

Comparison of the layer structure of vapor phase and leached SRL glass by use of AEM [analytical electron microscopy

International Nuclear Information System (INIS)

Biwer, B.M.; Bates, J.K.; Abrajano, T.A. Jr.; Bradley, J.P.

1989-01-01

Test samples of 131 type glass that have been reacted for extended time periods in water vapor atmospheres of different relative humidities and in static leaching solution have been examined to characterize the reaction products. Analytical electron microscopy (AEM) was used to characterize the leached samples, and a complicated layer structure was revealed, consisting of phases that precipitate from solution and also form within the residual glass layer. The precipitated phases include birnes-site, saponite, and an iron species, while the intralayer phases include the U-Ti containing phase brannerite distributed within a matrix consisting of bands of an Fe rich montmorillonite clay. Comparison is made between samples leached at 40 degrees C for 4 years with those leached at 90 degrees C for 3-1/2 years. The samples reacted in water vapor were examined with scanning electron microscopy and show increasing reaction as both the relative humidity and time of reaction increases. These samples also contain a layered structure with reaction products on the glass surface. 15 refs., 5 figs

Stability limit of liquid water in metastable equilibrium with subsaturated vapors.

Science.gov (United States)

Wheeler, Tobias D; Stroock, Abraham D

2009-07-07

A pure liquid can reach metastable equilibrium with its subsaturated vapor across an appropriate membrane. This situation is analogous to osmotic equilibrium: the reduced chemical potential of the dilute phase (the subsaturated vapor) is compensated by a difference in pressure between the phases. To equilibrate with subsaturated vapor, the liquid phase assumes a pressure that is lower than its standard vapor pressure, such that the liquid phase is metastable with respect to the vapor phase. For sufficiently subsaturated vapors, the liquid phase can even assume negative pressures. The appropriate membrane for this metastable equilibrium must provide the necessary mechanical support to sustain the difference in pressure between the two phases, limit nonhomogeneous mechanisms of cavitation, and resist the entry of the dilutant (gases) into the pure phase (liquid). In this article, we present a study of the limit of stability of liquid water--the degree of subsaturation at which the liquid cavitates--in this metastable state within microscale voids embedded in hydrogel membranes. We refer to these structures as vapor-coupled voids (VCVs). In these VCVs, we observed that liquid water cavitated when placed in equilibrium with vapors of activity aw,vapairhumiditynucleation theory or molecular simulations (Pcav=-140 to -180 MPa). To determine the cause of the disparity between the observed and predicted stability limit, we examine experimentally the likelihood of several nonhomogeneous mechanisms of nucleation: (i) heterogeneous nucleation caused by hydrophobic patches on void walls, (ii) nucleation caused by the presence of dissolved solute, (iii) nucleation caused by the presence of pre-existing vapor nuclei, and (iv) invasion of air through the hydrogel membrane into the voids. We conclude that, of these possibilities, (i) and (ii) cannot be discounted, whereas (iii) and (iv) are unlikely to play a role in determining the stability limit.

Vapor-droplet flow equations

International Nuclear Information System (INIS)

Crowe, C.T.

1975-01-01

General features of a vapor-droplet flow are discussed and the equations expressing the conservation of mass, momentum, and energy for the vapor, liquid, and mixture using the control volume approach are derived. The phenomenological laws describing the exchange of mass, momentum, and energy between phases are also reviewed. The results have application to development of water-dominated geothermal resources

Evaporation and Condensation Flows of a Vapor-Gas Mixture from or onto the Condensed Phase with an Internal Structure

National Research Council Canada - National Science Library

Onishi, Yoshimoto; Yamada, Ken

2005-01-01

Transient motions of a vapor-gas mixture due to the evaporation and condensation processes from or onto the plane condensed phase, with a temperature field as its internal structure, have been studied...

Tunnel currents produced by defects in p-n junctions of GaAs grown on vapor phase

International Nuclear Information System (INIS)

Barrales Guadarrama, V R; Rodríguez Rodriguez, E M; Barrales Guadarrama, R; Reyes Ayala, N

2017-01-01

With the purpose of assessing if the epitaxy on vapor phase technique “Close Space Vapor Deposition (CSVT)” is capable of produce thin films with adequate properties in order to manufacture p-n junctions, a study of invert and direct current was developed, in a temperature range of 94K to 293K, to junctions p-n of GaAs grown through the technique CSVT. It is shown that the dominant current, within the range 10 -7 to 10 -2 A, is consistent with a currents model of the type of internal emission form field, which shows these currents are due to the presence of localized states in the band gap. (paper)

Monofilament Vaporization Propulsion (MVP) System, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — Monofilament Vaporization Propulsion (MVP) is a new propulsion technology targeted at secondary payload applications. It does not compromise on performance while...

Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra

Science.gov (United States)

Li, Jian-Rong; Zhou, Hong-Cai

2010-10-01

Metal-organic polyhedra-discrete molecular architectures constructed through the coordination of metal ions and organic linkers-have recently attracted considerable attention due to their intriguing structures, their potential for a variety of applications and their relevance to biological self-assembly. Several synthetic routes have been investigated to prepare these complexes. However, to date, these preparative methods have typically been based on the direct assembly of metal ions and organic linkers. Although these routes are convenient, it remains difficult to find suitable reaction conditions or to control the outcome of the assembly process. Here, we demonstrate a synthetic strategy based on the substitution of bridging ligands in soluble metal-organic polyhedra. The introduction of linkers with different properties from those of the initial metal-organic polyhedra can thus lead to new metal-organic polyhedra with distinct properties (including size and shape). Furthermore, partial substitution can also occur and form mixed-ligand species that may be difficult to access by means of other approaches.

Synthesis and characterization of bimetallic metal-organic framework Cu-Ru-BTC with HKUST-1 structure.

Science.gov (United States)

Gotthardt, Meike A; Schoch, Roland; Wolf, Silke; Bauer, Matthias; Kleist, Wolfgang

2015-02-07

The bimetallic metal-organic framework Cu-Ru-BTC with the stoichiometric formula Cu2.75Ru0.25(BTC)2·xH2O, which is isoreticular to HKUST-1, was successfully prepared in a direct synthesis using mild reaction conditions. The partial substitution of Cu(2+) by Ru(3+) centers in the paddlewheel structure and the absence of other Ru-containing phases was proven using X-ray absorption spectroscopy.

Detection of vapor-phase organophosphate threats using wearable conformable integrated epidermal and textile wireless biosensor systems.

Science.gov (United States)

Mishra, Rupesh K; Martín, Aida; Nakagawa, Tatsuo; Barfidokht, Abbas; Lu, Xialong; Sempionatto, Juliane R; Lyu, Kay Mengjia; Karajic, Aleksandar; Musameh, Mustafa M; Kyratzis, Ilias L; Wang, Joseph

2018-03-15

Flexible epidermal tattoo and textile-based electrochemical biosensors have been developed for vapor-phase detection of organophosphorus (OP) nerve agents. These new wearable sensors, based on stretchable organophosphorus hydrolase (OPH) enzyme electrodes, are coupled with a fully integrated conformal flexible electronic interface that offers rapid and selective square-wave voltammetric detection of OP vapor threats and wireless data transmission to a mobile device. The epidermal tattoo and textile sensors display a good reproducibility (with RSD of 2.5% and 4.2%, respectively), along with good discrimination against potential interferences and linearity over the 90-300mg/L range, with a sensitivity of 10.7µA∙cm 3 ∙mg -1 (R 2 = 0.983) and detection limit of 12mg/L in terms of OP air density. Stress-enduring inks, used for printing the electrode transducers, ensure resilience against mechanical deformations associated with textile and skin-based on-body sensing operations. Theoretical simulations are used to estimate the OP air density over the sensor surface. These fully integrated wearable wireless tattoo and textile-based nerve-agent vapor biosensor systems offer considerable promise for rapid warning regarding personal exposure to OP nerve-agent vapors in variety of decentralized security applications. Copyright © 2017 Elsevier B.V. All rights reserved.

Magnetic solid-phase extraction of triazine herbicides from rice using metal-organic framework MIL-101(Cr) functionalized magnetic particles.

Science.gov (United States)

Liang, Li; Wang, Xinghua; Sun, Ying; Ma, Pinyi; Li, Xinpei; Piao, Huilan; Jiang, Yanxiao; Song, Daqian

2018-03-01

The metal-organic framework (MOF) functionalized magnetic graphene oxide/mesoporous silica composites (Fe 3 O 4 @SiO 2 -GO/MIL-101(Cr)) were synthesized and utilized as magnetic solid-phase extraction (MSPE) adsorbent for the extraction of seven triazine herbicides (terbuthylazine, secbumeton, terbumeton, atraton, atrazine, prometon and trietazine) in rice samples. Several experimental parameters, including type and volume of extraction solvent, amount of MIL-101(Cr), extraction time, volume of desorption solvent and desorption time were investigated and optimized. The limits of detection (LODs) of seven triazine herbicides obtained by using the proposed MSPE method combined with high performance liquid chromatography (HPLC) were in the range of 0.010-0.080µgkg -1 . The recoveries of the triazine herbicides in spiked rice samples ranged from of 83.9-103.5% with the relative standard deviations lower than 8.7%. The intra and inter-day (n = 6) precisions for all triazine herbicides at the spiked level of 100.0µgkg -1 were 1.4-5.9% and 2.6-7.8%, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

Nitrogen doping efficiency during vapor phase epitaxy of 4H-SiC

Energy Technology Data Exchange (ETDEWEB)

Rowland, L.B.; Brandt, C.D. [Northrop Grumman Science and Technology Center, Pittsburgh, PA (United States); Burk, A.A. Jr. [Northrop Grumman Advanced Technology Lab., Baltimore, MD (United States)

1998-06-01

This work examines the interrelationships among doping efficiency, mole fraction, and Si/C ratio for intentional doping of 4H-SiC during vapor phase epitaxy using N{sub 2}. For four Si/C ratios, the doping concentration increased linearly as a function of increasing N{sub 2} partial pressure with a slope of 1.0 {+-} 0.03. Variation of propane mole fraction while the SiH{sub 4} and N{sub 2} mole fractions were kept constant revealed two different modes of nitrogen incorporation, corresponding to carbon-rich and silicon-rich conditions. (orig.) 14 refs.

Vapor pressures and vapor compositions in equilibrium with hypostoichiometric plutonium dioxide at high temperatures

International Nuclear Information System (INIS)

Green, D.W.; Fink, J.K.; Leibowitz, L.

1982-01-01

Vapor pressures and vapor compositions have been calculated for 1500 less than or equal to T less than or equal to 4000 0 K. Thermodynamic functions for the condensed phase and for each of the gaseous species were combined with an oxygen-potential model extended into the liquid region to obtain the partial pressures of O 2 , O, Pu, PuO and PuO 2 . The calculated oxygen pressures increase very rapidly as stoichiometry is approached. At least part of this increase is a consequence of the exclusion of Pu 6 + from the oxygen-potential model. No reliable method was found to estimate the importance of this ion. As a result of large oxygen potentials at high temperatures, extremely high total pressures that produced unreasonably high vapor densities were calculated. The highest temperature was therefore limited to 400 K, and the range of oxygen-to-metal ratios was limited to 1.994 to 1.70. These calculations show that vapor in equilibrium with hypostoichiometric plutonium dioxide is poorly approximated as PuO 2 for most of the temperture and composition range of interest. The vapor is much more oxygen-rich than the condensed phase. Implications for the (U,Pu)O/sub 2-x/ system are discussed

Copper-Based Metal-Organic Porous Materials for CO2 Electrocatalytic Reduction to Alcohols.

Science.gov (United States)

Albo, Jonathan; Vallejo, Daniel; Beobide, Garikoitz; Castillo, Oscar; Castaño, Pedro; Irabien, Angel

2017-03-22

The electrocatalytic reduction of CO 2 has been investigated using four Cu-based metal-organic porous materials supported on gas diffusion electrodes, namely, (1) HKUST-1 metal-organic framework (MOF), [Cu 3 (μ 6 -C 9 H 3 O 6 ) 2 ] n ; (2) CuAdeAce MOF, [Cu 3 (μ 3 -C 5 H 4 N 5 ) 2 ] n ; (3) CuDTA mesoporous metal-organic aerogel (MOA), [Cu(μ-C 2 H 2 N 2 S 2 )] n ; and (4) CuZnDTA MOA, [Cu 0.6 Zn 0.4 (μ-C 2 H 2 N 2 S 2 )] n . The electrodes show relatively high surface areas, accessibilities, and exposure of the Cu catalytic centers as well as favorable electrocatalytic CO 2 reduction performance, that is, they have a high efficiency for the production of methanol and ethanol in the liquid phase. The maximum cumulative Faradaic efficiencies for CO 2 conversion at HKUST-1-, CuAdeAce-, CuDTA-, and CuZnDTA-based electrodes are 15.9, 1.2, 6, and 9.9 %, respectively, at a current density of 10 mA cm -2 , an electrolyte-flow/area ratio of 3 mL min cm -2 , and a gas-flow/area ratio of 20 mL min cm -2 . We can correlate these observations with the structural features of the electrodes. Furthermore, HKUST-1- and CuZnDTA-based electrodes show stable electrocatalytic performance for 17 and 12 h, respectively. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Metalorganic atomic layer deposition of TiN thin films using TDMAT and NH3

International Nuclear Information System (INIS)

Kim, Hyo Kyeom; Kim, Ju Youn; Park, Jin Yong; Kim, Yang Do; Kim, Young Do; Jeon, Hyeong Tag; Kim, Won Mok

2002-01-01

TiN films were deposited by using the metalorganic atomic layer deposition (MOALD) method using tetrakis-dimethyl-amino-titanium (TDMAT) as the titanium precursor and ammonia (NH 3 ) as the reactant gas. Two saturated TiN film growth regions were observed in the temperature ranges from 175 and 190 .deg. C and from 200 and 210 .deg. C. TiN films deposited by the MOALD technique showed relatively lower carbon content than films deposited by metalorganic chemical vapor deposition (MOCVD) method. TiN films deposited at around 200 .deg. C under standard conditions showed the resistivity values as low as 500 μΩ-cm, which is about one order lower than the values for TiN films deposited by MOCVD using TDMAT or TDMAT with NH 3 . Also, the carbon incorporation and the resistivity were further decreased with increasing Ar purge time and flow rate. TiN films deposited at temperature below 300 .deg. C showed amorphous characteristics. TiN film deposited on contact holes, about 0.4-μm wide and 0.8-μm deep, by using the MOALD method showed excellent conformal deposition with almost 100% step coverage. This study demonstrates that the processing parameters need to be carefully controlled to optimize the film properties that the processing parameters need to be carefully controlled to optimize the film properties when using the ALD technique and that TiN films deposited by using the MOALD method exhibited excellent film properties compared to those of films deposited by using other CVD methods

ZnO Nanowires Synthesized by Vapor Phase Transport Deposition on Transparent Oxide Substrates

Directory of Open Access Journals (Sweden)

Taylor Curtis

2010-01-01

Full Text Available Abstract Zinc oxide nanowires have been synthesized without using metal catalyst seed layers on fluorine-doped tin oxide (FTO substrates by a modified vapor phase transport deposition process using a double-tube reactor. The unique reactor configuration creates a Zn-rich vapor environment that facilitates formation and growth of zinc oxide nanoparticles and wires (20–80 nm in diameter, up to 6 μm in length, density <40 nm apart at substrate temperatures down to 300°C. Electron microscopy and other characterization techniques show nanowires with distinct morphologies when grown under different conditions. The effect of reaction parameters including reaction time, temperature, and carrier gas flow rate on the size, morphology, crystalline structure, and density of ZnO nanowires has been investigated. The nanowires grown by this method have a diameter, length, and density appropriate for use in fabricating hybrid polymer/metal oxide nanostructure solar cells. For example, it is preferable to have nanowires no more than 40 nm apart to minimize exciton recombination in polymer solar cells.

Characterization of Adsorption Enthalpy of Novel Water-Stable Zeolites and Metal-Organic Frameworks

Science.gov (United States)

Kim, Hyunho; Cho, H. Jeremy; Narayanan, Shankar; Yang, Sungwoo; Furukawa, Hiroyasu; Schiffres, Scott; Li, Xiansen; Zhang, Yue-Biao; Jiang, Juncong; Yaghi, Omar M.; Wang, Evelyn N.

2016-01-01

Water adsorption is becoming increasingly important for many applications including thermal energy storage, desalination, and water harvesting. To develop such applications, it is essential to understand both adsorbent-adsorbate and adsorbate-adsorbate interactions, and also the energy required for adsorption/desorption processes of porous material-adsorbate systems, such as zeolites and metal-organic frameworks (MOFs). In this study, we present a technique to characterize the enthalpy of adsorption/desorption of zeolites and MOF-801 with water as an adsorbate by conducting desorption experiments with conventional differential scanning calorimetry (DSC) and thermogravimetric analyzer (TGA). With this method, the enthalpies of adsorption of previously uncharacterized adsorbents were estimated as a function of both uptake and temperature. Our characterizations indicate that the adsorption enthalpies of type I zeolites can increase to greater than twice the latent heat whereas adsorption enthalpies of MOF-801 are nearly constant for a wide range of vapor uptakes. PMID:26796523

Metalorganic chemical vapor deposition of ZnO:N using NO as dopant

International Nuclear Information System (INIS)

Dangbegnon, J.K.; Talla, K.; Roro, K.T.; Botha, J.R.

2009-01-01

Highly c-axis orientated ZnO was grown by metal organic chemical vapor deposition (MOCVD) using NO as both oxidant and nitrogen dopant source. The properties of the deposited material are investigated by X-ray diffraction to study the crystalline quality of the thin films. Photoluminescence measurements are used to determine the optical properties of the material as a function of VI/II ratio and post growth-annealing temperature. Two transitions appear at 3.228 and 3.156 eV and are interpreted as involving active nitrogen acceptors. An increase in the NO flow increases the concentration of nitrogen in the films, which are activated by subsequent annealing at 600 deg. C in an oxygen ambient.

Metalorganic chemical vapor deposition of ZnO:N using NO as dopant

Energy Technology Data Exchange (ETDEWEB)

Dangbegnon, J.K., E-mail: JulienKouadio.Dangbegnon@nmmu.ac.z [Department of Physics, PO Box 77000, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa); Talla, K.; Roro, K.T.; Botha, J.R. [Department of Physics, PO Box 77000, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa)

2009-12-01

Highly c-axis orientated ZnO was grown by metal organic chemical vapor deposition (MOCVD) using NO as both oxidant and nitrogen dopant source. The properties of the deposited material are investigated by X-ray diffraction to study the crystalline quality of the thin films. Photoluminescence measurements are used to determine the optical properties of the material as a function of VI/II ratio and post growth-annealing temperature. Two transitions appear at 3.228 and 3.156 eV and are interpreted as involving active nitrogen acceptors. An increase in the NO flow increases the concentration of nitrogen in the films, which are activated by subsequent annealing at 600 deg. C in an oxygen ambient.

Modeling of gas-phase chemistry in the chemical vapor deposition of polysilicon in a cold wall system

Energy Technology Data Exchange (ETDEWEB)

Toprac, A.J.; Edgar, T.F.; Trachtenberg, I. (Univ. of Texas, Austin, TX (United States). Dept. of Chemical Engineering)

1993-06-01

The relative contribution of gas-phase chemistry to deposition processes is an important issue both from the standpoint of operation and modeling of these processes. In polysilicon deposition from thermally activated silane in a cold wall rapid thermal chemical vapor deposition (RTCVD) system, the relative contribution of gas-phase chemistry to the overall deposition rate was examined by a mass-balance model. Evaluating the process at conditions examined experimentally, the model indicated that gas-phase reactions may be neglected to good accuracy in predicting polysilicon deposition rate. The model also provided estimates of the level of gas-phase generated SiH[sub 2] associated with deposition on the cold-process chamber walls.

Mechanical properties of metal-organic frameworks: An indentation study on epitaxial thin films

Science.gov (United States)

Bundschuh, S.; Kraft, O.; Arslan, H. K.; Gliemann, H.; Weidler, P. G.; Wöll, C.

2012-09-01

We have determined the hardness and Young's modulus of a highly porous metal-organic framework (MOF) using a standard nanoindentation technique. Despite the very low density of these films, 1.22 g cm-3, Young's modulus reaches values of almost 10 GPa for HKUST-1, demonstrating that this porous coordination polymer is substantially stiffer than normal polymers. This progress in characterizing mechanical properties of MOFs has been made possible by the use of high quality, oriented thin films grown using liquid phase epitaxy on modified Au substrates.

Metalorganic chemical vapor deposition growth of high-mobility AlGaN/AlN/GaN heterostructures on GaN templates and native GaN substrates

Energy Technology Data Exchange (ETDEWEB)

Chen, Jr-Tai, E-mail: jrche@ifm.liu.se; Hsu, Chih-Wei; Forsberg, Urban; Janzén, Erik [Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE 581 83 Linköping (Sweden)

2015-02-28

Severe surface decomposition of semi-insulating (SI) GaN templates occurred in high-temperature H{sub 2} atmosphere prior to epitaxial growth in a metalorganic chemical vapor deposition system. A two-step heating process with a surface stabilization technique was developed to preserve the GaN template surface. Utilizing the optimized heating process, a high two-dimensional electron gas mobility ∼2000 cm{sup 2}/V·s was obtained in a thin AlGaN/AlN/GaN heterostructure with an only 100-nm-thick GaN spacer layer homoepitaxially grown on the GaN template. This technique was also demonstrated viable for native GaN substrates to stabilize the surface facilitating two-dimensional growth of GaN layers. Very high residual silicon and oxygen concentrations were found up to ∼1 × 10{sup 20 }cm{sup −3} at the interface between the GaN epilayer and the native GaN substrate. Capacitance-voltage measurements confirmed that the residual carbon doping controlled by growth conditions of the GaN epilayer can be used to successfully compensate the donor-like impurities. State-of-the-art structural properties of a high-mobility AlGaN/AlN/GaN heterostructure was then realized on a 1 × 1 cm{sup 2} SI native GaN substrate; the full width at half maximum of the X-ray rocking curves of the GaN (002) and (102) peaks are only 21 and 14 arc sec, respectively. The surface morphology of the heterostructure shows uniform parallel bilayer steps, and no morphological defects were noticeable over the entire epi-wafer.

Growth and process identification of CuInS 2 on GaP by chemical vapor deposition

Science.gov (United States)

Hwang, H. L.; Sun, C. Y.; Fang, C. S.; Chang, S. D.; Cheng, C. H.; Yang, M. H.; Lin, H. H.; Tuwan-Mu, H.

1981-10-01

Experimental techniques for growing CuInS 2 layers on GaP substrates by the metalorganic method have been developed. Hydrogen sulfide gas together with the vapors of CuCl( NCCH3) n and InCl3( NCCH3) both of which were generated by bubbling nitrogen through sources, using a solvent of acetonitride, were used as transport agents. Various characterization techniques such as atomic absorption (AA), neutron activation analysis (NAA), energy dispersive analysis by X-rays (EDAX), Rutherford back-scattering analysis (RBS), and X-ray analyses were used to help understand the fundamental mechanism of the CVD growth.

Penicillium expansum Inhibition on Bread by Lemongrass Essential Oil in Vapor Phase.

Science.gov (United States)

Mani López, Emma; Valle Vargas, Georgina P; Palou, Enrique; López Malo, Aurelio

2018-02-23

The antimicrobial activity of lemongrass ( Cymbopogon citratus) essential oil (EO) in the vapor phase on the growth of Penicillium expansum inoculated on bread was evaluated, followed by a sensory evaluation of the bread's attributes after EO exposure. The lemongrass EO was extracted from dry leaves of lemongrass by microwave-assisted steam distillation. The chemical composition of the lemongrass EO was determined using a gas chromatograph coupled to a mass spectrometer. The refractive index and specific gravity of the EO were also determined. Bread was prepared and baked to reach two water activity levels, 0.86 or 0.94, and then 10 μL of P. expansum spore (10 6 spores per mL) suspension was inoculated on the bread surface. Concentrations of lemongrass EO were tested from 125 to 4,000 μL/L air , whereas mold radial growth was measured for 21 days. For sensory evaluation, breads were treated with lemongrass EO vapor at 0, 500, or 1,000 μL/L air for 48 h and tested by 25 untrained panelists. The EO yield was 1.8%, with similar physical properties to those reported previously. Thirteen compounds were the main components in the EO, with citral being the major compound. P. expansum was inhibited for 21 days at 20°C with 750 μL of EO/L air , and its inhibition increased with increasing concentrations of EO. Sensory acceptance of bread exposed to vapor concentrations of 500 or 1,000 μL of EO/L air or without EO was favorable; similar and no significant differences ( P > 0.05) were observed among them.

Triple sorbent thermal desorption/gas chromatography/mass spectrometry determination of vapor phase organic contaminants

International Nuclear Information System (INIS)

Ma, C.Y.; Skeen, J.T.; Dindal, A.B.; Higgins, C.E.; Jenkins, R.A.

1994-05-01

A thermal desorption/ps chromatography/mass spectrometry (TD/GC/MS) has been evaluated for the determination of volatile organic compounds (VOCS) in vapor phase samples using Carbosieve S-III/Carbotrap/Carotrap C triple sorbent traps (TST) similar to those available from a commercial source. The analysis was carried out with a Hewlett-Packard 5985A or 5995 GC/MS system with a modified injector to adapt an inhouse manufactured short-path desorber for transferring desorbate directly onto a cryofocusing loop for subsequent GC/MS analysis. Vapor phase standards generated from twenty six compounds were used for method validation, including alkanes, alkyl alcohols, alkyl ketones, and alkyl nitrites, a group of representative compounds that have previously been identified in a target airborne matrix. The method was validated based on the satisfactory results in terms of reproducibility, recovery rate, stability, and linearity. A relative, standard deviation of 0.55 to 24.3 % was obtained for the entire TD process (generation of gas phase standards, spiking the standards on and desorbing from TST) over a concentration range of 20 to 500 ng/trap. Linear correlation coefficients for the calibration curves as determined ranged from 0.81 to 0.99 and limits of detection ranged from 3 to 76 ng. For a majority of standards, recoveries of greater than 90% were observed. For three selected standards spiked on TSTS, minimal loss (10 to 22%) was observed after storing the spiked in, a 4 degree C refrigerator for 29 days. The only chromatographable artifact observed was a 5% conversion of isopropanol to acetone. The validated method been successfully applied, to the determination of VOCs collected from various emission sources in a diversified concentration range

Tank vapor sampling and analysis data package for tank 241-C-106 waste retrieval sluicing system process test phase III

Energy Technology Data Exchange (ETDEWEB)

LOCKREM, L.L.

1999-08-13

This data package presents sampling data and analytical results from the March 28, 1999, vapor sampling of Hanford Site single-shell tank 241-C-106 during active sluicing. Samples were obtained from the 296-C-006 ventilation system stack and ambient air at several locations. Characterization Project Operations (CPO) was responsible for the collection of all SUMMATM canister samples. The Special Analytical Support (SAS) vapor team was responsible for the collection of all triple sorbent trap (TST), sorbent tube train (STT), polyurethane foam (PUF), and particulate filter samples collected at the 296-C-006 stack. The SAS vapor team used the non-electrical vapor sampling (NEVS) system to collect samples of the air, gases, and vapors from the 296-C-006 stack. The SAS vapor team collected and analyzed these samples for Lockheed Martin Hanford Corporation (LMHC) and Tank Waste Remediation System (TWRS) in accordance with the sampling and analytical requirements specified in the Waste Retrieval Sluicing System Vapor Sampling and Analysis Plan (SAP) for Evaluation of Organic Emissions, Process Test Phase III, HNF-4212, Rev. 0-A, (LMHC, 1999). All samples were stored in a secured Radioactive Materials Area (RMA) until the samples were radiologically released and received by SAS for analysis. The Waste Sampling and Characterization Facility (WSCF) performed the radiological analyses. The samples were received on April 5, 1999.

1.55-μm range InAs/InP (100) quantum dot telecom devices

NARCIS (Netherlands)

Nötzel, R.; Anantathanasarn, S.; Veldhoven, van P.J.; Barbarin, Y.; Bente, E.A.J.M.; Smit, M.K.; Cade, N.I.; Kamada, H.; Satpati, B.; Trampert, A.; Dhar, N.K.; Dutta, A.K.; Islam, M.S.

2007-01-01

Lasing and sharp line emission in the 1.55-µm wavelength region is demonstrated from ensembles and single InAs quantum dots (QDs) embedded in InGaAsP on InP (100) by metalorganic vapor phase epitaxy (MOVPE). Wavelength tuning of the QDs is achieved through the insertion of ultra-thin (1-2

Mn doping of GaN layers grown by MOVPE

Czech Academy of Sciences Publication Activity Database

Šimek, P.; Šofer, Z.; Sedmidubský, D.; Jankovský, O.; Hejtmánek, Jiří; Maryško, Miroslav; Václavů, M.; Mikulics, M.

2012-01-01

Roč. 56, č. 2 (2012), s. 122-126 ISSN 0862-5468 R&D Projects: GA ČR GA104/09/0621 Institutional research plan: CEZ:AV0Z10100521 Keywords : metalorganic vapor phase epitaxy * nitrides * magnetic materials * semiconducting III-V materials Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.418, year: 2012

Silicon doped InP as an alternative plasmonic material for mid-infrared

DEFF Research Database (Denmark)

Panah, Mohammad Esmail Aryaee; Han, Li; Christensen, Dennis Valbjørn

2016-01-01

Silicon-doped InP is grown on top of semiinsulating iron-doped and sulfur-doped InP substrates by metalorganic vapor phase epitaxy (MOVPE), and the growth parameters are adjusted to obtain various free carrier concentrations from 1.05×1019 cm-3 up to 3.28×1019 cm-3. Midinfrared (IR) reflection...

Hanford soil partitioning and vapor extraction study

International Nuclear Information System (INIS)

Yonge, D.; Hossain, A.; Cameron, R.; Ford, H.; Storey, C.

1996-07-01

This report describes the testing and results of laboratory experiments conducted to assist the carbon tetrachloride soil vapor extraction project operating in the 200 West Area of the Hanford Site in Richland, Washington. Vapor-phase adsorption and desorption testing was performed using carbon tetrachloride and Hanford Site soils to estimate vapor-soil partitioning and reasonably achievable carbon tetrachloride soil concentrations during active vapor extractions efforts at the 200 West Area. (CCl 4 is used in Pu recovery from aqueous streams.)

Bionanomaterials and Bioinspired Nanostructures for Selective Vapor Sensing

Science.gov (United States)

2013-04-03

agricultural crops. To meet the requirements for these and other demanding applications, new sensing approaches with improved sensor selectivity are required...of these vapors with key side- chain amino acids. DNT-binding peptide receptors were further conjugated to an oligo(ethylene glycol) hydrogel for vapor...coefficient for DNT over TNT vapor. Vapor-phase binding performance was attributed to the ability of the oligo(ethylene glycol) hydrogel to maintain the

Achieving Amphibious Superprotonic Conductivity in a CuI Metal-Organic Framework by Strategic Pyrazinium Salt Impregnation.

Science.gov (United States)

Khatua, Sajal; Bar, Arun Kumar; Sheikh, Javeed Ahmad; Clearfield, Abraham; Konar, Sanjit

2018-01-19

Treatment of a pyrazine (pz)-impregnated Cu I metal-organic framework (MOF) ([1⊃pz]) with HCl vapor renders an interstitial pyrazinium chloride salt-hybridized MOF ([1⊃pz⋅6 HCl]) that exhibits proton conductivity over 10 -2  S cm -1 both in anhydrous and under humid conditions. Framework [1⊃pz⋅6 HCl] features the highest anhydrous proton conductivity among the lesser-known examples of MOF-based materials exhibiting proton conductivity under both anhydrous and humid conditions. Moreover, [1⊃pz] and corresponding pyrazinium sulfate- and pyrazinium phosphate-hybridized MOFs also exhibit superprotonic conductivity over 10 -2  S cm -1 under humid conditions. The impregnated pyrazinium ions play a crucial role in protonic conductivity, which occurs through a Grotthuss mechanism. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermochemistry of methoxythiophenes: Measurement of their enthalpies of vaporization and estimation of their enthalpies of formation in the condensed phase

International Nuclear Information System (INIS)

Temprado, Manuel; Notario, Rafael; Roux, María Victoria; Verevkin, Sergey P.

2014-01-01

Highlights: • The enthalpies of vaporization of 2- and 3-methoxythiophenes have been measured by the transpiration method. • We have estimated the enthalpies of formation of methoxythiophenes in liquid phase. • The optimized geometries of methoxythiophenes have been tabulated and compared with the experimental crystal structures. - Abstract: Enthalpies of vaporization of 2- and 3-methoxythiophenes (48.32 ± 0.30 and 48.54 ± 0.22 kJ · mol −1 , respectively) have been measured by the transpiration method using nitrogen as the carrying and protecting stream. Combustion experiments leading to enthalpies of formation in the liquid phase, Δ f H 0 m (l), for both isomers failed due to rapid darkening of freshly distilled samples even under a protecting atmosphere. However, combination of experimental vaporization enthalpies with values of the gaseous enthalpies of formation, Δ f H 0 m (g), obtained by quantum-chemical calculations from our previous work Notario et al. (2012) [24] permits establishing estimated Δ f H 0 m (l) values of −(68.3 ± 4.2) and −(80.1 ± 4.2) kJ · mol −1 , for 2- and 3-methoxythiophene, respectively

Numerical modeling of a vaporizing multicomponent droplet

Science.gov (United States)

Megaridis, C. M.; Sirignano, W. A.

The fundamental processes governing the energy, mass, and momentum exchange between the liquid and gas phases of vaporizing, multicomponent liquid droplets have been investigated. The axisymmetric configuration under consideration consists of an isolated multicomponent droplet vaporizing in a convective environment. The model considers different volatilities of the liquid components, variable liquid properties due to variation of the species concentrations, and non-Fickian multicomponent gaseous diffusion. The bicomponent droplet model was employed to examine the commonly used assumptions of unity Lewis number in the liquid phase and Fickian gaseous diffusion. It is found that the droplet drag coefficients, the vaporization rates, and the related transfer numbers are not influenced by the above assumptions in a significant way.

Vaporization of fault water during seismic slip

Science.gov (United States)

Chen, Jianye; Niemeijer, André R.; Fokker, Peter A.

2017-06-01

Laboratory and numerical studies, as well as field observations, indicate that phase transitions of pore water might be an important process in large earthquakes. We present a model of the thermo-hydro-chemo-mechanical processes, including a two-phase mixture model to incorporate the phase transitions of pore water, occurring during fast slip (i.e., a natural earthquake) in order to investigate the effects of vaporization on the coseismic slip. Using parameters from typical natural faults, our modeling shows that vaporization can indeed occur at the shallow depths of an earthquake, irrespective of the wide variability of the parameters involved (sliding velocity, friction coefficient, gouge permeability and porosity, and shear-induced dilatancy). Due to the fast kinetics, water vaporization can cause a rapid slip weakening even when the hydrological conditions of the fault zone are not favorable for thermal pressurization, e.g., when permeability is high. At the same time, the latent heat associated with the phase transition causes the temperature rise in the slip zone to be buffered. Our parametric analyses reveal that the amount of frictional work is the principal factor controlling the onset and activity of vaporization and that it can easily be achieved in earthquakes. Our study shows that coseismic pore fluid vaporization might have played important roles at shallow depths of large earthquakes by enhancing slip weakening and buffering the temperature rise. The combined effects may provide an alternative explanation for the fact that low-temperature anomalies were measured in the slip zones at shallow depths of large earthquakes.

Comparative study of polar and semipolar (112¯2) InGaN layers grown by metalorganic vapour phase epitaxy

International Nuclear Information System (INIS)

Dinh, Duc V.; Zubialevich, V. Z.; Oehler, F.; Kappers, M. J.; Humphreys, C. J.; Alam, S. N.; Parbrook, P. J.; Caliebe, M.; Scholtz, F.

2014-01-01

InGaN layers were grown simultaneously on (112 ¯ 2) GaN and (0001) GaN templates by metalorganic vapour phase epitaxy. At higher growth temperature (≥750 °C), the indium content ( ¯ 2) and (0001) InGaN layers was similar. However, for temperatures less than 750 °C, the indium content of the (112 ¯ 2) InGaN layers (15%–26%) were generally lower than those with (0001) orientation (15%–32%). The compositional deviation was attributed to the different strain relaxations between the (112 ¯ 2) and (0001) InGaN layers. Room temperature photoluminescence measurements of the (112 ¯ 2) InGaN layers showed an emission wavelength that shifts gradually from 380 nm to 580 nm with decreasing growth temperature (or increasing indium composition). The peak emission wavelength of the (112 ¯ 2) InGaN layers with an indium content of more than 10% blue-shifted a constant value of ≈(50–60) nm when using higher excitation power densities. This blue-shift was attributed to band filling effects in the layers.

Transfer-Free Fabrication of Graphene Scaffolds on High-k Dielectrics from Metal-Organic Oligomers.

Science.gov (United States)

Pang, Qingqing; Wang, Deyan; Wang, Xiuyan; Feng, Shaoguang; Clark, Michael B; Li, Qiaowei

2016-09-28

In situ fabrication of graphene scaffold-ZrO2 nanofilms is achieved by thermal annealing of Zr-based metal-organic oligomers on SiO2 substrates. The structural similarities of the aromatic moieties in the ligand (phenyl-, naphthyl-, anthryl-, and pyrenyl-) compared to graphene play a major role in the ordering of the graphene scaffolds obtained. The depth profiling analysis reveals ultrathin carbon-pure or carbon-rich surfaces of the graphene scaffold-ZrO2 nanofilms. The graphene scaffolds with ∼96.0% transmittance in the visible region and 4.8 nm in thickness can be grown with this non-chemical vapor deposition method. Furthermore, the heterogeneous graphene scaffold-ZrO2 nanofilms show a low sheet resistance of 17.0 kΩ per square, corresponding to electrical conductivity of 3197 S m(-1). The strategy provides a facile method to fabricate graphene scaffolds directly on high-k dielectrics without transferring process, paving the way for its application in fabricating electronic devices.

Quantitative liquid and vapor distribution measurements in evaporating fuel sprays using laser-induced exciplex fluorescence

International Nuclear Information System (INIS)

Fansler, Todd D; Drake, Michael C; Gajdeczko, Boguslaw; Düwel, Isabell; Koban, Wieland; Zimmermann, Frank P; Schulz, Christof

2009-01-01

Fully quantitative two-dimensional measurements of liquid- and vapor-phase fuel distributions (mass per unit volume) from high-pressure direct-injection gasoline injectors are reported for conditions of both slow and rapid vaporization in a heated, high-pressure spray chamber. The measurements employ the coevaporative gasoline-like fluorobenzene (FB)/diethylmethylamine (DEMA)/hexane exciplex tracer/fuel system. In contrast to most previous laser-induced exciplex-fluorescence (LIEF) experiments, the quantitative results here include regions in which liquid and vapor fuel coexist (e.g. near the injector exit). A unique aspect is evaluation of both vapor- and liquid-phase distributions at varying temperature and pressure using only in situ vapor-phase fluorescence calibration measurements at room temperature and atmospheric pressure. This approach draws on recent extensive measurements of the temperature-dependent spectroscopic properties of the FB–DEMA exciplex system, in particular on knowledge of the quantum efficiencies of the vapor-phase and liquid-phase (exciplex) fluorescence. In addition to procedures necessary for quantitative measurements, we discuss corrections for liquid–vapor crosstalk (liquid fluorescence that overlaps the vapor-fluorescence bandpass), the unknown local temperature due to vaporization-induced cooling, and laser-sheet attenuation by scattering and absorption

Multicomponent droplet vaporization in a convecting environment

International Nuclear Information System (INIS)

Megaridis, C.M.; Sirignano, W.A.

1990-01-01

In this paper a parametric study of the fundamental exchange processes for energy, mass and momentum between the liquid and gas phases of multicomponent liquid vaporizing droplets is presented. The model, which examines an isolated, vaporizing, multicomponent droplet in an axisymmetric, convecting environment, considers the different volatilities of the liquid components, the alteration of the liquid-phase properties due to the spatial/temporal variations of the species concentrations and also the effects of multicomponent diffusion. In addition, the model accounts for variable thermophysical properties, surface blowing and droplet surface regression due to vaporization, transient droplet heating with internal liquid circulation, and finally droplet deceleration with respect to the free flow due to drag. The numerical calculation employs finite-difference techniques and an iterative solution procedure that provides time-varying spatially-resolved data for both phases. The effects of initial droplet composition, ambient temperature, initial Reynolds number (based on droplet diameter), and volatility differential between the two liquid components are investigated for a liquid droplet consisting of two components with very different volatilities. It is found that mixtures with higher concentration of the less volatile substance actually vaporize faster on account of intrinsically higher liquid heating rates

Study of near-critical states of liquid-vapor phase transition of magnesium

International Nuclear Information System (INIS)

Emelyanov, A N; Shakhray, D V; Golyshev, A A

2015-01-01

Study of thermodynamic parameters of magnesium in the near-critical point region of the liquid-vapor phase transition and in the region of metal-nonmetal transition was carried out. Measurements of the electrical resistance of magnesium after shock compression and expansion into gas (helium) environment in the process of isobaric heating was carried out. Heating of the magnesium surface by heat transfer with hot helium was performed. The registered electrical resistance of expanded magnesium was about 10 4 -10 5 times lower than the electrical resistance of the magnesium under normal condition at the density less than the density of the critical point. Thus, metal-nonmetal transition was found in magnesium. (paper)

Student Understanding of Liquid-Vapor Phase Equilibrium

Science.gov (United States)

Boudreaux, Andrew; Campbell, Craig

2012-01-01

Student understanding of the equilibrium coexistence of a liquid and its vapor was the subject of an extended investigation. Written assessment questions were administered to undergraduates enrolled in introductory physics and chemistry courses. Responses have been analyzed to document conceptual and reasoning difficulties in sufficient detail to…

Hybrid glasses from strong and fragile metal-organic framework liquids.

Science.gov (United States)

Bennett, Thomas D; Tan, Jin-Chong; Yue, Yuanzheng; Baxter, Emma; Ducati, Caterina; Terrill, Nick J; Yeung, Hamish H-M; Zhou, Zhongfu; Chen, Wenlin; Henke, Sebastian; Cheetham, Anthony K; Greaves, G Neville

2015-08-28

Hybrid glasses connect the emerging field of metal-organic frameworks (MOFs) with the glass formation, amorphization and melting processes of these chemically versatile systems. Though inorganic zeolites collapse around the glass transition and melt at higher temperatures, the relationship between amorphization and melting has so far not been investigated. Here we show how heating MOFs of zeolitic topology first results in a low density 'perfect' glass, similar to those formed in ice, silicon and disaccharides. This order-order transition leads to a super-strong liquid of low fragility that dynamically controls collapse, before a subsequent order-disorder transition, which creates a more fragile high-density liquid. After crystallization to a dense phase, which can be remelted, subsequent quenching results in a bulk glass, virtually identical to the high-density phase. We provide evidence that the wide-ranging melting temperatures of zeolitic MOFs are related to their network topologies and opens up the possibility of 'melt-casting' MOF glasses.

Epitaxial growth of GaN by radical-enhanced metalorganic chemical vapor deposition (REMOCVD) in the downflow of a very high frequency (VHF) N2/H2 excited plasma - effect of TMG flow rate and VHF power

Science.gov (United States)

Lu, Yi; Kondo, Hiroki; Ishikawa, Kenji; Oda, Osamu; Takeda, Keigo; Sekine, Makoto; Amano, Hiroshi; Hori, Masaru

2014-04-01

Gallium nitride (GaN) films have been grown by using our newly developed Radical-Enhanced Metalorganic Chemical Vapor Deposition (REMOCVD) system. This system has three features: (1) application of very high frequency (60 MHz) power in order to increase the plasma density, (2) introduction of H2 gas together with N2 gas in the plasma discharge region to generate not only nitrogen radicals but also active NHx molecules, and (3) radical supply under remote plasma arrangement with suppression of charged ions and photons by employing a Faraday cage. Using this new system, we have studied the effect of the trimethylgallium (TMG) source flow rate and of the plasma generation power on the GaN crystal quality by using scanning electron microscopy (SEM) and double crystal X-ray diffraction (XRD). We found that this REMOCVD allowed the growth of epitaxial GaN films of the wurtzite structure of (0001) orientation on sapphire substrates with a high growth rate of 0.42 μm/h at a low temperature of 800 °C. The present REMOCVD is a promising method for GaN growth at relatively low temperature and without using costly ammonia gas.

Characterization of crystallinity of Ge{sub 1−x}Sn{sub x} epitaxial layers grown using metal-organic chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Inuzuka, Yuki [Department of Crystalline Materials Science, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Ike, Shinichi; Asano, Takanori [Department of Crystalline Materials Science, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Japan Society for the Promotion of Science, Chiyoda-ku, Tokyo 102-8472 (Japan); Takeuchi, Wakana [Department of Crystalline Materials Science, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Nakatsuka, Osamu, E-mail: nakatuka@alice.xtal.nagoya-u.ac.jp [Department of Crystalline Materials Science, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); Zaima, Shigeaki [Department of Crystalline Materials Science, Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan); EcoTopia Science Institute, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603 (Japan)

2016-03-01

The epitaxial growth of a Ge{sub 1−x}Sn{sub x} layer was examined using metal-organic chemical vapor deposition (MOCVD) with two types of Ge precursors; tetra-ethyl-germane (TEGe) and tertiary-butyl-germane (TBGe); and the Sn precursor tri-butyl-vinyl-tin (TBVSn). Though the growth of a Ge{sub 1−x}Sn{sub x} layer on a Ge(001) substrate by MOCVD has been reported, a high-Sn-content Ge{sub 1−x}Sn{sub x} layer and the exploration of MO material combinations for Ge{sub 1−x}Sn{sub x} growth have not been reported. Therefore, the epitaxial growth of a Ge{sub 1−x}Sn{sub x} layer on Ge(001) and Si(001) substrates was examined using these precursors. The Ge{sub 1−x}Sn{sub x} layers were pseudomorphically grown on a Ge(001) substrate, while the Ge{sub 1−x}Sn{sub x} layer with a high degree of strain relaxation was obtained on a Si(001) substrate. Additionally, it was found that the two Ge precursors have different growth temperature ranges, where the TBGe could realize a higher growth rate at a lower growth temperature than the TEGe. The Ge{sub 1−x}Sn{sub x} layers grown using a combination of TBGe and TBVSn exhibited a higher crystalline quality and a smoother surface compared with the Ge{sub 1−x}Sn{sub x} layer prepared by low-temperature molecular beam epitaxy. In this study, a Ge{sub 1−x}Sn{sub x} epitaxial layer with a Sn content as high as 5.1% on a Ge(001) substrate was achieved by MOCVD at 300 °C. - Highlights: • Tertiary-butyl-germane and tri-butyl-vinyl-tin are suitable for Ge{sub 1−x}Sn{sub x} MOCVD growth. • We achieved a Sn content of 5.1% in Ge{sub 1−x}Sn{sub x} epitaxial layer on Ge(001). • The Ge{sub 1−x}Sn{sub x} layers grown on Ge and Si by MOCVD have high crystalline quality.

Vapor-Liquid Phase Equilibria for Carbon Dioxide-I- Isopentanol Binary System at Elevated Pressure%Vapor-Liquid Phase Equilibria for Carbon Dioxide-I- Isopentanol Binary System at Elevated Pressure

Institute of Scientific and Technical Information of China (English)

王琳; 曹丰璞; 刘珊珊; 杨浩

2011-01-01

High-pressure vapor-liquid phase equilibrium data for carbon dioxide＋ isopentanol were measured at tempera- tures of 313.2, 323.1, 333.5 and 343.4 K in the pressure range of 4.64 to 12.71 MPa in a variable-volume high-pressure visual cell. The experimental data were well correlated with Peng-Robinson equation of state （PR-EOS） together with van der Waals-2 two-parameter mixing rule, and the binary interaction parameters were obtained. Henry coefficients and partial molar volumes of CO2 at infinite dilution were estimated based on Krichevsky-Kasarnovsky equation, and Henry coefficients increase with increasing temperature, however, partial molar volumes of CO2 at infinite dilution are negative and the magnitudes decrease with temperature.

Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface.

Science.gov (United States)

Bauer, Brad A; Warren, G Lee; Patel, Sandeep

2009-02-10

We discuss a new classical water force field that explicitly accounts for differences in polarizability between liquid and vapor phases. The TIP4P-QDP (4-point transferable intermolecular potential with charge dependent-polarizability) force field is a modification of the original TIP4P-FQ fluctuating charge water force field of Rick et al.(1) that self-consistently adjusts its atomic hardness parameters via a scaling function dependent on the M-site charge. The electronegativity (χ) parameters are also scaled in order to reproduce condensed-phase dipole moments of comparable magnitude to TIP4P-FQ. TIP4P-QDP is parameterized to reproduce experimental gas-phase and select condensed-phase properties. The TIP4P-QDP water model possesses a gas phase polarizability of 1.40 Å(3) and gas-phase dipole moment of 1.85 Debye, in excellent agreement with experiment and high-level ab initio predictions. The liquid density of TIP4P-QDP is 0.9954(±0.0002) g/cm(3) at 298 K and 1 atmosphere, and the enthalpy of vaporization is 10.55(±0.12) kcal/mol. Other condensed-phase properties such as the isobaric heat capacity, isothermal compressibility, and diffusion constant are also calculated within reasonable accuracy of experiment and consistent with predictions of other current state-of-the-art water force fields. The average molecular dipole moment of TIP4P-QDP in the condensed phase is 2.641(±0.001) Debye, approximately 0.02 Debye higher than TIP4P-FQ and within the range of values currently surmised for the bulk liquid. The dielectric constant, ε = 85.8 ± 1.0, is 10% higher than experiment. This is reasoned to be due to the increase in the condensed phase dipole moment over TIP4P-FQ, which estimates ε remarkably well. Radial distribution functions for TIP4P-QDP and TIP4P-FQ show similar features, with TIP4P-QDP showing slightly reduced peak heights and subtle shifts towards larger distance interactions. Since the greatest effects of the phase-dependent polarizability are

Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface

Science.gov (United States)

Bauer, Brad A.; Warren, G. Lee; Patel, Sandeep

2012-01-01

We discuss a new classical water force field that explicitly accounts for differences in polarizability between liquid and vapor phases. The TIP4P-QDP (4-point transferable intermolecular potential with charge dependent-polarizability) force field is a modification of the original TIP4P-FQ fluctuating charge water force field of Rick et al.1 that self-consistently adjusts its atomic hardness parameters via a scaling function dependent on the M-site charge. The electronegativity (χ) parameters are also scaled in order to reproduce condensed-phase dipole moments of comparable magnitude to TIP4P-FQ. TIP4P-QDP is parameterized to reproduce experimental gas-phase and select condensed-phase properties. The TIP4P-QDP water model possesses a gas phase polarizability of 1.40 Å3 and gas-phase dipole moment of 1.85 Debye, in excellent agreement with experiment and high-level ab initio predictions. The liquid density of TIP4P-QDP is 0.9954(±0.0002) g/cm3 at 298 K and 1 atmosphere, and the enthalpy of vaporization is 10.55(±0.12) kcal/mol. Other condensed-phase properties such as the isobaric heat capacity, isothermal compressibility, and diffusion constant are also calculated within reasonable accuracy of experiment and consistent with predictions of other current state-of-the-art water force fields. The average molecular dipole moment of TIP4P-QDP in the condensed phase is 2.641(±0.001) Debye, approximately 0.02 Debye higher than TIP4P-FQ and within the range of values currently surmised for the bulk liquid. The dielectric constant, ε = 85.8 ± 1.0, is 10% higher than experiment. This is reasoned to be due to the increase in the condensed phase dipole moment over TIP4P-FQ, which estimates ε remarkably well. Radial distribution functions for TIP4P-QDP and TIP4P-FQ show similar features, with TIP4P-QDP showing slightly reduced peak heights and subtle shifts towards larger distance interactions. Since the greatest effects of the phase-dependent polarizability are

Growth kinetics and mass transport mechanisms of GaN columns by selective area metal organic vapor phase epitaxy

Science.gov (United States)

Wang, Xue; Hartmann, Jana; Mandl, Martin; Sadat Mohajerani, Matin; Wehmann, Hergo-H.; Strassburg, Martin; Waag, Andreas

2014-04-01

Three-dimensional GaN columns recently have attracted a lot of attention as the potential basis for core-shell light emitting diodes for future solid state lighting. In this study, the fundamental insights into growth kinetics and mass transport mechanisms of N-polar GaN columns during selective area metal organic vapor phase epitaxy on patterned SiOx/sapphire templates are systematically investigated using various pitch of apertures, growth time, and silane flow. Species impingement fluxes on the top surface of columns Jtop and on their sidewall Jsw, as well as, the diffusion flux from the substrate Jsub contribute to the growth of the GaN columns. The vertical and lateral growth rates devoted by Jtop, Jsw and Jsub are estimated quantitatively. The diffusion length of species on the SiOx mask surface λsub as well as on the sidewall surfaces of the 3D columns λsw are determined. The influences of silane on the growth kinetics are discussed. A growth model is developed for this selective area metal organic vapor phase epitaxy processing.

Vapor-phase polymerization of poly(3, 4-ethylenedioxythiophene) nanofibers on carbon cloth as electrodes for flexible supercapacitors

Science.gov (United States)

Zhao, Xin; Dong, Mengyang; Zhang, Junxian; Li, Yingzhi; Zhang, Qinghua

2016-09-01

In this study, an evaporative vapor-phase polymerization approach was employed to fabricate vertically aligned poly(3, 4-ethylenedioxythiophene) (PEDOT) nanofibers on the surface of carbon cloth (CC). Optimized reaction conditions can obtain well distributed and uniform layers of high-aspect-ratio PEDOT nanofibers on CC. The hierarchical PEDOT/CC structure as a freestanding electrode exhibits good electrochemical properties. As a flexible symmetric supercapacitor, the PEDOT/CC hybrid electrode displays a specific areal capacitance of 201.4 mF cm-2 at 1 mA cm-2, good flexibility with a higher value (204.6 mF cm-2) in the bending state, and a good cycling stability of 92.4% after 1000 cycles. Moreover, the device shows a maximum energy density of 4.0 Wh kg-1 (with a power density of 3.2 kW kg-1) and a maximum power density of 4.2 kW kg-1 (with an energy density of 3.1 Wh kg-1). The results demonstrate that PEDOT may be a promising material for storage devices through a simple and efficient vapor-phase polymerization process with precisely controlled reaction conditions.

Prediction of the vapor pressure and vaporization enthalpy of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids.

Science.gov (United States)

Diedenhofen, Michael; Klamt, Andreas; Marsh, Kenneth; Schäfer, Ansgar

2007-09-07

The vapor pressures and vaporization enthalpies of a series of 1-n-alkyl-3-methylimidazolium-bis-(trifluoromethanesulfonyl) amide ionic liquids have been predicted with two different approaches using the COSMO-RS method and quantum chemical gas phase calculations. While the calculated enthalpies are in good agreement with the experimental data, COSMO-RS seems to underestimate the vapor pressures by roughly 0.5-4 log units dependent on the IL and approach used.

Growth of Cd0.96Zn0.04Te single crystals by vapor phase gas transport method

Directory of Open Access Journals (Sweden)

S. H. Tabatabai Yazdi

2006-03-01

Full Text Available   Cd0.96Zn0.04Te crystals were grown using vapor phase gas transport method (VPGT. The results show that dendritic crystals with grain size up to 3.5 mm can be grown with this technique. X-ray diffraction and Laue back-reflection patterns show that dendritic crystals are single-phase, whose single crystal grains are randomly oriented with respect to the gas-transport axis. Electrical measurements, carried out using Van der Pauw method, show that the as-grown crystals have resistivity of about 104 Ω cm and n-type conductivity.

A fine-tuned Metal-Organic Framework for Autonomous Indoor Moisture Control .

KAUST Repository

Abdul Halim, Racha Ghassan

2017-06-29

Conventional adsorbents, namely zeolites and silica gel, are often used to control humidity by adsorbing water; however, adsorbents capable of dual functionality of humidification and dehumidification, offering the desired control of the moisture level at room temperature, has yet to be explored. Here we report Y-shp-MOF-5, a hybrid microporous highly-connected Rare-Earth based metal-organic framework (MOF), with dual functionality for moisture control within the recommended range of relative humidity (45% to 65% RH) set by the American Society of Heating, Refrigerating, and Air-Conditioning Engineers (ASHRAE). Y-shp-MOF-5 exhibits exceptional structural integrity, robustness and unique humidity-control performance as confirmed by the large number (thousand) of conducted water vapor adsorption-desorption cycles. The retained structural integrity and the mechanism of water sorption were corroborated using in situ single crystal X-ray diffraction (SCXRD) studies. The resultant working water uptake of 0.45 g.g-1 is solely regulated by a simple adjustment of the relative humidity, positioning this hydrolytically stable MOF as a prospective adsorbent for humidity control in confined spaces such as space shuttles, aircraft cabins and air-conditioned buildings.

Magnetic behaviour in metal-organic frameworks

Indian Academy of Sciences (India)

The article describes the synthesis, structure and magnetic investigations of a series of metal-organic framework compounds formed with Mn+2 and Ni+2 ions. The structures, determined using the single crystal X-ray diffraction, indicated that the structures possess two- and three-dimensional structures with magnetically ...

Chirality-Controlled Growth of Single-Wall Carbon Nanotubes Using Vapor Phase Epitaxy: Mechanistic Understanding and Scalable Production

Science.gov (United States)

2016-09-15

AFRL-AFOSR-VA-TR-2016-0319 Chirality -Controlled Growth of Single-Wall Carbon Nanotubes Using Vapor Phase Epitaxy: Mechanistic Understanding and...TELEPHONE NUMBER (Include area code) DISTRIBUTION A: Distribution approved for public release. 15-06-2016 final Jun 2014 - Jun 2016 Chirality ...for Public Release; Distribution is Unlimited. In this report, we present our efforts in establishing a novel and effective approach for chirality

Solvothermal growth of a ruthenium metal-organic framework featuring HKUST-1 structure type as thin films on oxide surfaces.

Science.gov (United States)

Kozachuk, Olesia; Yusenko, Kirill; Noei, Heshmat; Wang, Yuemin; Walleck, Stephan; Glaser, Thorsten; Fischer, Roland A

2011-08-14

Phase-pure crystalline thin films of a mixed-valence Ru(2)(II,III) metal-organic framework with 1,3,5-benzenetricarboxylate (btc) as a linker were solvothermally grown on amorphous alumina and silica surfaces. Based on the Rietveld refinement, the structure of Ru-MOF was assigned to be analogous to [Cu(3)(btc)(2)] (HKUST-1). This journal is © The Royal Society of Chemistry 2011

Effect of AlN growth temperature on trap densities of in-situ metal-organic chemical vapor deposition grown AlN/AlGaN/GaN metal-insulator-semiconductor heterostructure field-effect transistors

Directory of Open Access Journals (Sweden)

Joseph J. Freedsman

2012-06-01

Full Text Available The trapping properties of in-situ metal-organic chemical vapor deposition (MOCVD grown AlN/AlGaN/GaN metal-insulator-semiconductor heterostructure field-effect transistors (MIS-HFETs with AlN layers grown at 600 and 700 °C has been quantitatively analyzed by frequency dependent parallel conductance technique. Both the devices exhibited two kinds of traps densities, due to AlN (DT-AlN and AlGaN layers (DT-AlGaN respectively. The MIS-HFET grown at 600 °C showed a minimum DT-AlN and DT-AlGaN of 1.1 x 1011 and 1.2 x 1010 cm-2eV-1 at energy levels (ET -0.47 and -0.36 eV. Further, the gate-lag measurements on these devices revealed less degradation ∼ ≤ 5% in drain current density (Ids-max. Meanwhile, MIS-HFET grown at 700 °C had more degradation in Ids-max ∼26 %, due to high DT-AlN and DT-AlGaN of 3.4 x 1012 and 5 x 1011 cm-2eV-1 positioned around similar ET. The results shows MIS-HFET grown at 600 °C had better device characteristics with trap densities one order of magnitude lower than MIS-HFET grown at 700 °C.

Theoretical Investigation of the Structural Stabilities of Ceria Surfaces and Supported Metal Nanocluster in Vapor and Aqueous Phases

Energy Technology Data Exchange (ETDEWEB)

Ren, Zhibo [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Liu, Ning [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States; Chen, Biaohua [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Li, Jianwei [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China; Mei, Donghai [Institute for Integrated Catalysis, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

2018-01-25

Understanding the structural stability and dynamics at the interface between the solid metal oxide and aqueous phase is significant in a variety of industrial applications including heterogeneous catalysis and environmental remediation. In the present work, the stabilities of three low-index ceria (CeO2) surfaces, i.e., (111), (110) and (100) in vapor and aqueous phases were studied using ab initio molecular dynamics simulations and density functional theory (DFT) calculations. Gibbs surface free energies as a function of temperature, water partial pressure, and water coverages were calculated using DFT based atomistic thermodynamic approach. On the basis of surface free energies, the morphology and exposed surface structures of the CeO2 nanoparticle were predicted using Wulff construction principle. It is found that the partially hydroxylated (111) and (100) are two major surface structures of CeO2 nanoparticles in vapor phase at ambient temperature (300 K). As the temperature increases, the fully dehydrated (111) surface gradually becomes the most dominant surface structure. While in aqueous phase, the exposed surface of the CeO2 nanoparticle is dominated by the hydroxylated (110) structure at 393 K. Finally, the morphology and stability of a cuboctahedron Pt13 nanocluster supported on CeO2 surfaces in both gas and aqueous phases were investigated. In gas phase, the supported Pt13 nanocluster has the tendency to wetting the CeO2 surface due to the strong metal-support interaction. The calculated interaction energies suggest the CeO2(110) surface provides the best stability for the Pt13 nanocluster. The CeO2 supported Pt13 nanoclusters are oxidized. Compared to the gas phase, the morphology of the CeO2 supported Pt13 nanocluster is less distorted due to the solvation effect provided by surrounding water molecules in aqueous phase. More electrons are transferred from the Pt13 nanocluster to the CeO2 support, implying the supported Pt13 nanocluster is further

Migration of carbon nanotubes from liquid phase to vapor phase in the refrigerant-based nanofluid pool boiling

Directory of Open Access Journals (Sweden)

Peng Hao

2011-01-01

Full Text Available Abstract The migration characteristics of carbon nanotubes from liquid phase to vapor phase in the refrigerant-based nanofluid pool boiling were investigated experimentally. Four types of carbon nanotubes with the outside diameters from 15 to 80 nm and the lengths from 1.5 to 10 μm were used in the experiments. The refrigerants include R113, R141b and n-pentane. The oil concentration is from 0 to 10 wt.%, the heat flux is from 10 to 100 kW·m-2, and the initial liquid-level height is from 1.3 to 3.4 cm. The experimental results indicate that the migration ratio of carbon nanotube increases with the increase of the outside diameter or the length of carbon nanotube. For the fixed type of carbon nanotube, the migration ratio decreases with the increase of the oil concentration or the heat flux, and increases with the increase of the initial liquid-level height. The migration ratio of carbon nanotube increases with the decrease of dynamic viscosity of refrigerant or the increase of liquid phase density of refrigerant. A model for predicting the migration ratio of carbon nanotubes in the refrigerant-based nanofluid pool boiling is proposed, and the predictions agree with 92% of the experimental data within a deviation of ±20%.

High temperature thermodynamics and vaporization of the zirconium--niobium--oxygen system

International Nuclear Information System (INIS)

Rinehart, G.H.

1978-01-01

The vaporization behavior of the Zr--Nb--O system was studied by means of successive vaporization, Knudsen effusion-target collection experiments, and mass spectrometric analysis of the vapors effusing from a Knudsen crucible. The successive vaporization experiments were performed on two ternary samples in open crucibles. X-ray powder diffraction patterns of the residues and x-ray fluorescence analysis of the condensates and residues indicated the preferential vaporization of niobium-containing species with the composition of the residue subsequently becoming closer to that of congruently vaporizing ZrO/sub 2-x/. The Knudsen effusion-target collection experiments were employed on two samples, pure NbO 2 (s) and a two-phase ZrO 2 --NbO 2 mixture, in order to obtain information on the activity of NbO 2 in the two-phase mixture. Second law enthalpies and entropies of sublimation as well as third law enthalpies were obtained for both systems. The vaporization behaviors of five compositions in the Zr--Nb--O system, NbO 2 , NbO, a ZrO 2 --NbO 2 two-phase mixture, Nb 2 O 5 , and Zr 6 Nb 2 O 17 , were investigated. Above Nb 2 O 5 and the fully oxidized Zr 6 Nb 2 O 17 oxygen is preferentially lost; over NbO 2 , the two-phase ZrO 2 --NbO 2 system, and NbO the principal gaseous species is NbO 2

A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.

Science.gov (United States)

Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong

2017-08-16

Copper(II)-paddlewheel-based metal-organic frameworks (CP-MOFs) represent a unique subclass of MOFs with highly predictable porous structures, facile syntheses, and functional open metal sites. However, the lack of high hydrolytic stability is an obstacle for CP-MOFs in many practical applications. In this work, we report a new CP-MOF, [Cu 4 (tdhb)] (BUT-155), which is constructed from a judiciously designed carboxylate ligand with high coordination connectivity (octatopic), abundant hydrophobic substituents (six methyl groups), and substituent constrained geometry (tetrahedral backbone), tdhb 8- [H 8 tdhb = 3,3',5,5'-tetrakis(3,5-dicarboxyphenyl)-2,2',4,4',6,6'-hexamethylbiphenyl)]. BUT-155 shows high porosity with a Brunauer-Emmett-Teller surface area of 2070 m 2 /g. Quite interestingly, this CP-MOF retains its structural integrity after being treated in water for 10 days at room temperature or in boiling water for 24 h. To the best of our knowledge, BUT-155 represents the first CP-MOF that is demonstrated to retain its structural integrity in boiling water. The high hydrolytic stability of BUT-155 allowed us to carry out adsorption studies of water vapor and aqueous organic pollutants on it. Water-vapor adsorption reveals a sigmoidal isotherm and a high uptake (46.7 wt %), which is highly reversible and regenerable. In addition, because of the availability of soft-acid-type open Cu(II) sites, BUT-155 shows a high performance for selective adsorption of soft-base-type aniline over water or phenol, and a naked-eye detectable color change for the MOF sample accompanies this. The adsorption selectivity and high adsorption capacity of aniline in BUT-155 are also well-interpreted by single-crystal structures of the water- and aniline-included phases of BUT-155.

Multirate delivery of multiple therapeutic agents from metal-organic frameworks

Directory of Open Access Journals (Sweden)

Alistair C. McKinlay

2014-12-01

Full Text Available The highly porous nature of metal-organic frameworks (MOFs offers great potential for the delivery of therapeutic agents. Here, we show that highly porous metal-organic frameworks can be used to deliver multiple therapeutic agents—a biologically active gas, an antibiotic drug molecule, and an active metal ion—simultaneously but at different rates. The possibilities offered by delivery of multiple agents with different mechanisms of action and, in particular, variable timescales may allow new therapy approaches. Here, we show that the loaded MOFs are highly active against various strains of bacteria.

Waste Tank Vapor Project: Tank vapor database development

International Nuclear Information System (INIS)

Seesing, P.R.; Birn, M.B.; Manke, K.L.

1994-09-01

The objective of the Tank Vapor Database (TVD) Development task in FY 1994 was to create a database to store, retrieve, and analyze data collected from the vapor phase of Hanford waste tanks. The data needed to be accessible over the Hanford Local Area Network to users at both Westinghouse Hanford Company (WHC) and Pacific Northwest Laboratory (PNL). The data were restricted to results published in cleared reports from the laboratories analyzing vapor samples. Emphasis was placed on ease of access and flexibility of data formatting and reporting mechanisms. Because of time and budget constraints, a Rapid Application Development strategy was adopted by the database development team. An extensive data modeling exercise was conducted to determine the scope of information contained in the database. a A SUN Sparcstation 1000 was procured as the database file server. A multi-user relational database management system, Sybase reg-sign, was chosen to provide the basic data storage and retrieval capabilities. Two packages were chosen for the user interface to the database: DataPrism reg-sign and Business Objects trademark. A prototype database was constructed to provide the Waste Tank Vapor Project's Toxicology task with summarized and detailed information presented at Vapor Conference 4 by WHC, PNL, Oak Ridge National Laboratory, and Oregon Graduate Institute. The prototype was used to develop a list of reported compounds, and the range of values for compounds reported by the analytical laboratories using different sample containers and analysis methodologies. The prototype allowed a panel of toxicology experts to identify carcinogens and compounds whose concentrations were within the reach of regulatory limits. The database and user documentation was made available for general access in September 1994

Extremely high absolute internal quantum efficiency of photoluminescence in co-doped GaN:Zn,Si

Science.gov (United States)

Reshchikov, M. A.; Willyard, A. G.; Behrends, A.; Bakin, A.; Waag, A.

2011-10-01

We report on the fabrication of GaN co-doped with silicon and zinc by metalorganic vapor phase epitaxy and a detailed study of photoluminescence in this material. We observe an exceptionally high absolute internal quantum efficiency of blue photoluminescence in GaN:Zn,Si. The value of 0.93±0.04 has been obtained from several approaches based on rate equations.

Growth and properties of A.sup.III./sup. B.sup.V./sup. QD structures for intermediate band solar cells

Czech Academy of Sciences Publication Activity Database

Vyskočil, Jan; Gladkov, Petar; Petříček, Václav; Hospodková, Alice; Pangrác, Jiří

2015-01-01

Roč. 414, č. 172 (2015), s. 172-176 ISSN 0022-0248 R&D Projects: GA ČR(CZ) GP14-21285P Institutional support: RVO:68378271 ; RVO:67985882 Keywords : metalorganic vapor phase epitaxy * InAs/GaAs Quantum dots * GaAsSb Strain reducing layer * solar cells Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.462, year: 2015

Recent Advances as Materials of Functional Metal-Organic Frameworks

Directory of Open Access Journals (Sweden)

Xiao-Lan Tong

2013-01-01

Full Text Available Metal-organic frameworks (MOFs, also known as hybrid inorganic-organic materials, represent an emerging class of materials that have attracted the imagination of solid-state chemists because MOFs combine unprecedented levels of porosity with a range of other functional properties that occur through the metal moiety and/or the organic ligand. The purpose of this critical review is to give a representative and comprehensive overview of the arising developments in the field of functional metal-organic frameworks, including luminescence, magnetism, and porosity through presenting examples. This review will be of interest to researchers and synthetic chemists attempting to design multifunctional MOFs.

The effect of doping titanium dioxide nanoparticles on phase transformation, photocatalytic activity and anti-bacterial properties

Science.gov (United States)

Buzby, Scott Edward

Nanosized titanium dioxide has a variety of important applications in everyday life including a photocatalyst for pollution remediation, photovoltaic devices, sunscreen, etc. This study focuses on the various properties of titanium dioxide nanoparticles doped with various cation and anion species. Samples were produced by various methods including metalorganic chemical vapor deposition (MOCVD), plasma assisted metalorganic chemical vapor deposition (PA-MOCVD) and sol-gel. Numerous techniques such as X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), electron microscopy both scanning (SEM) and transmission (TEM) were used for physical characterization. Photocatalytic properties were determined by the oxidation of methylene blue dye and 2-chlorophenol in water as well as gaseous formic acid with results analyzed by high performance liquid chromatography (HPLC), Fourier transform infrared spectroscopy (FTIR) and ultra violet - visible spectroscopy (UV-VIS). For the purpose of enhancement of the photocatalytic activity of titanium dioxide nanoparticles, the effect of anion doping and the anatase-rutile phase ratio were studied. Although anatase, rutile and mixed crystallite phases all show some degree of activity in photocatalytic reactions, these results show that anatase is better suited for the degradation of organic compounds in an aqueous medium any advantage in photocatalytic activity gained through the enhancement in optical response from the smaller band gap by addition of rutile was overcome by the negatives associated with the rutile phase. Furthermore substitutional nitrogen doping showed significant improvement in UV photocatalysis as well as allowing for visible light activation of the catalyst. Further studies on the phase transitions in titanium dioxide nanoparticles were carried out by synthesizing various cation doped samples by sol-gel. Analysis of the phases by XRD showed an inverse relationship between dopant size and rutile percentage

Semiconductor light sources fabricated by vapor phase epitaxial regrowth

International Nuclear Information System (INIS)

Powazinik, W.; Olshansky, R.; Meland, E.; Lauer, R.B.

1986-01-01

An extremely versatile technique for the fabrication of semiconductor light sources is described. The technique which is based on the halide vapor phase regrowth (VPR) of InP on channeled and selectively etched InGaAsP/InP double heterostructure material, results in a buried heterostructure (BH) index-guided VPR-BH diode laser structure which can be optimized for a number of different types of semiconductor light sources. The conditions and parameters associated with the halide VPR process are given, and the properties of the regrown InP are reported. The processing and characterization of high-frequency lasers with 18-GHz bandwidths and high-power lasers with cw single-spatial-mode powers of 60 mW are described. Additionally, the fabrication and characterization of superluminescent LEDs based on the this basic VPR-BH structure are described. These LEDs are capable of coupling more than 80 μW of optical power into a single-mode fiber at 100 mA, and can couple as much as 8 μW of optical power into a single-mode fiber at drive currents as low as 20 mA

Development of an acoustic wave based biosensor for vapor phase detection of small molecules

Science.gov (United States)

Stubbs, Desmond

For centuries scientific ingenuity and innovation have been influenced by Mother Nature's perfect design. One of her more elusive designs is that of the sensory olfactory system, an array of highly sensitive receptors responsible for chemical vapor recognition. In the animal kingdom this ability is magnified among canines where ppt (parts per trillion) sensitivity values have been reported. Today, detection dogs are considered an essential part of the US drug and explosives detection schemes. However, growing concerns about their susceptibility to extraneous odors have inspired the development of highly sensitive analytical detection tools or biosensors known as "electronic noses". In general, biosensors are distinguished from chemical sensors in that they use an entity of biological origin (e.g. antibody, cell, enzyme) immobilized onto a surface as the chemically-sensitive film on the device. The colloquial view is that the term "biosensors" refers to devices which detect the presence of entities of biological origin, such as proteins or single-stranded DNA and that this detection must take place in a liquid. Our biosensor utilizes biomolecules, specifically IgG monoclonal antibodies, to achieve molecular recognition of relatively small molecules in the vapor phase.

Production of higher quality bio-oils by in-line esterification of pyrolysis vapor

Science.gov (United States)

Hilten, Roger Norris; Das, Keshav; Kastner, James R; Bibens, Brian P

2014-12-02

The disclosure encompasses in-line reactive condensation processes via vapor phase esterification of bio-oil to decease reactive species concentration and water content in the oily phase of a two-phase oil, thereby increasing storage stability and heating value. Esterification of the bio-oil vapor occurs via the vapor phase contact and subsequent reaction of organic acids with ethanol during condensation results in the production of water and esters. The pyrolysis oil product can have an increased ester content and an increased stability when compared to a condensed pyrolysis oil product not treated with an atomized alcohol.

X-ray characterization of CdO thin films grown on a-, c-, r- and m-plane sapphire by metalorganic vapour phase-epitaxy

Energy Technology Data Exchange (ETDEWEB)

Zuniga-Perez, J.; Martinez-Tomas, C.; Munoz-Sanjose, V. [Departamento de Fisica Aplicada y Electromagnetismo, Universitat de Valencia, C/Dr. Moliner 50, 46100 Burjassot (Spain)

2005-02-01

CdO thin films have been grown on a-plane (11 anti 20), c-plane (0001), r-plane (01 anti 12) and m-plane (10 anti 10) sapphire substrates by metalorganic vapour-phase epitaxy (MOVPE). The effects of different substrate orientations on the structural properties of the films have been analyzed by means of X-ray diffraction, including {theta}-2{theta} scans, pole figures and rocking curves. (111), (001) and (110) orientations are found on a-, r-, and m-sapphire respectively, while films deposited on c-plane exhibit an orientation in which no low-index crystal plane is parallel to the sample surface. The recorded pole figures have allowed determining the epitaxial relationships between films and substrates, as well as the presence or absence of extended defects. The rocking curves indicate that high quality thin films, in terms of tilt and twist, can be obtained on r-, c- and m-plane sapphire, while further improvement is needed over the a-orientation. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

X-ray characterization of CdO thin films grown on a-, c-, r- and m-plane sapphire by metalorganic vapour phase-epitaxy

International Nuclear Information System (INIS)

Zuniga-Perez, J.; Martinez-Tomas, C.; Munoz-Sanjose, V.

2005-01-01

CdO thin films have been grown on a-plane (11 anti 20), c-plane (0001), r-plane (01 anti 12) and m-plane (10 anti 10) sapphire substrates by metalorganic vapour-phase epitaxy (MOVPE). The effects of different substrate orientations on the structural properties of the films have been analyzed by means of X-ray diffraction, including θ-2θ scans, pole figures and rocking curves. (111), (001) and (110) orientations are found on a-, r-, and m-sapphire respectively, while films deposited on c-plane exhibit an orientation in which no low-index crystal plane is parallel to the sample surface. The recorded pole figures have allowed determining the epitaxial relationships between films and substrates, as well as the presence or absence of extended defects. The rocking curves indicate that high quality thin films, in terms of tilt and twist, can be obtained on r-, c- and m-plane sapphire, while further improvement is needed over the a-orientation. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Surfactant-thermal method to prepare two new cobalt metal-organic frameworks

Energy Technology Data Exchange (ETDEWEB)

Yu, Xianglin [School of Materials Science and Engineering and School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Key Laboratory for Green Chemical Process of Ministry of Education, School of Chemical Engineering and Pharmacy, Wuhan Institute of Technology, Wuhan 430074 (China); Toh, Yong Siang [School of Materials Science and Engineering and School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Zhao, Jun [College of Materials and Chemical Engineering, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China); Nie, Lina [School of Materials Science and Engineering and School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Ye, Kaiqi; Wang, Yue [State Key Laboratory of Supramolecular Structure and Materials, College of Chemistry, Jilin University, Changchun 130012 (China); Li, Dongsheng [College of Materials and Chemical Engineering, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China); Zhang, Qichun, E-mail: qczhang@ntu.edu.sg [School of Materials Science and Engineering and School of Chemical and Biomedical Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Division of Chemistry and Biological Chemistry, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore)

2015-12-15

Employing surfactants as reaction media, two new metal-organic frameworks (MOFs):(HTEA){sub 3}[Co{sub 3}(BTC){sub 3}] (NTU-Z33) and (HTEA)[Co{sub 3}(HBTC){sub 2}(BTC)] (NTU-Z34) (H{sub 3}BTC=1,3,5-benzenetricarboxylic acid, TEA=trimethylamine, and NTU=Nanyang Technological University), have been successfully synthesized and fully characterized. Note that NTU-Z33 has an unusual trimeric [Co{sub 3}(COO){sub 9}] secondary building unit (SBU). Magnetic characterization suggests that both compounds have weak antiferromagnetic behaviors. Our success in preparing new crystalline Co-BTC based MOFs under different surfactant media could provide a new road to prepare new diverse MOFs through various combinations of surfactants. - Graphical abstract: Employing surfactants as reaction media, two new metal-organic frame-works (MOFs) have been successfully synthesized and magnetic study suggests that both compounds have weak antiferromagnetic behaviors. - Highlights: • Two novel metal-organic frame-works (MOFs). • Synthesis through surfactant-thermal condition. • weak antiferromagnetic behaviors for both compounds.

Surfactant-thermal method to prepare two new cobalt metal-organic frameworks

International Nuclear Information System (INIS)

Yu, Xianglin; Toh, Yong Siang; Zhao, Jun; Nie, Lina; Ye, Kaiqi; Wang, Yue; Li, Dongsheng; Zhang, Qichun

2015-01-01

Employing surfactants as reaction media, two new metal-organic frameworks (MOFs):(HTEA)_3[Co_3(BTC)_3] (NTU-Z33) and (HTEA)[Co_3(HBTC)_2(BTC)] (NTU-Z34) (H_3BTC=1,3,5-benzenetricarboxylic acid, TEA=trimethylamine, and NTU=Nanyang Technological University), have been successfully synthesized and fully characterized. Note that NTU-Z33 has an unusual trimeric [Co_3(COO)_9] secondary building unit (SBU). Magnetic characterization suggests that both compounds have weak antiferromagnetic behaviors. Our success in preparing new crystalline Co-BTC based MOFs under different surfactant media could provide a new road to prepare new diverse MOFs through various combinations of surfactants. - Graphical abstract: Employing surfactants as reaction media, two new metal-organic frame-works (MOFs) have been successfully synthesized and magnetic study suggests that both compounds have weak antiferromagnetic behaviors. - Highlights: • Two novel metal-organic frame-works (MOFs). • Synthesis through surfactant-thermal condition. • weak antiferromagnetic behaviors for both compounds.

On the vapor-liquid equilibrium in hydroprocessing reactors

Energy Technology Data Exchange (ETDEWEB)

Chen, J.; Munteanu, M.; Farooqi, H. [National Centre for Upgrading Technology, Devon, AB (Canada)

2009-07-01

When petroleum distillates undergo hydrotreating and hydrocracking, the feedstock and hydrogen pass through trickle-bed catalytic reactors at high temperatures and pressures with large hydrogen flow. As such, the oil is partially vaporized and the hydrogen is partially dissolved in liquid to form a vapor-liquid equilibrium (VLE) system with both vapor and liquid phases containing oil and hydrogen. This may result in considerable changes in flow rates, physical properties and chemical compositions of both phases. Flow dynamics, mass transfer, heat transfer and reaction kinetics may also be modified. Experimental observations of VLE behaviours in distillates with different feedstocks under a range of operating conditions were presented. In addition, VLE was predicted along with its effects on distillates in pilot and commercial scale plants. tabs., figs.

Chemical principles underpinning the performance of the metal-organic framework HKUST-1.

Science.gov (United States)

Hendon, Christopher H; Walsh, Aron

2015-07-15

A common feature of multi-functional metal-organic frameworks is a metal dimer in the form of a paddlewheel, as found in the structure of Cu 3 ( btc ) 2 (HKUST-1). The HKUST-1 framework demonstrates exceptional gas storage, sensing and separation, catalytic activity and, in recent studies, unprecedented ionic and electrical conductivity. These results are a promising step towards the real-world application of metal-organic materials. In this perspective, we discuss progress in the understanding of the electronic, magnetic and physical properties of HKUST-1, representative of the larger family of Cu···Cu containing metal-organic frameworks. We highlight the chemical interactions that give rise to its favourable properties, and which make this material well suited to a range of technological applications. From this analysis, we postulate key design principles for tailoring novel high-performance hybrid frameworks.

Condensation of Methane in the Metal-Organic Framework IRMOF-1: Evidence for Two Critical Points.

Science.gov (United States)

Höft, Nicolas; Horbach, Jürgen

2015-08-19

Extensive grand canonical Monte Carlo simulations in combination with successive umbrella sampling are used to investigate the condensation of methane in the nanoporous crystalline material IRMOF-1. Two different types of novel condensation transitions are found, each of them ending in a critical point: (i) a fluid-fluid transition at higher densities (the analog of the liquid-gas transition in the bulk) and (ii) a phase transition at low densities on the surface of the IRMOF-1 structure. The nature of these transitions is different from the usual capillary condensation in thin films and cylindrical pores where the coexisting phases are confined in one or two of the three spatial dimensions. In contrast to that, in IRMOF-1 the different phases can be described as bulk phases that are inhomogeneous due to the presence of the metal-organic framework. As a consequence, the condensation transitions in IRMOF-1 belong to the three-dimensional (3D) Ising universality class.

Vapor-phase hydrothermal transformation of HTiOF3 intermediates into {001} faceted anatase single-crystalline nanosheets.

Science.gov (United States)

Liu, Porun; Wang, Yun; Zhang, Haimin; An, Taicheng; Yang, Huagui; Tang, Zhiyong; Cai, Weiping; Zhao, Huijun

2012-12-07

For the first time, a facile, one-pot hydrofluoric acid vapor-phase hydrothermal (HF-VPH) method is demonstrated to directly grow single-crystalline anatase TiO(2) nanosheets with 98.2% of exposed {001} faceted surfaces on the Ti substrate via a distinctive two-stage formation mechanism. The first stage produces a new intermediate crystal (orthorhombic HTiOF(3) ) that is transformed into anatase TiO(2) nanosheets during the second stage. The findings reveal that the HF-VPH reaction environment is unique and differs remarkably from that of liquid-phase hydrothermal processes. The uniqueness of the HF-VPH conditions can be readily used to effectively control the nanostructure growth. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Smart Resonant Gas Sensor and Switch Operating in Air With Metal-Organic Frameworks Coating

KAUST Repository

Jaber, Nizar; Ilyas, Saad; Shekhah, Osama; Eddaoudi, Mohamed; Younis, Mohammad I.

2017-01-01

We report a resonant gas sensor, uniformly coated with a metal-organic framework (MOF), and excited it near the higher order modes for a higher attained sensitivity. Also, switching upon exceeding a threshold value is demonstrated by operating the resonator near the bifurcation point and the dynamic pull-in instabilities. The resonator is based on an electrostatically excited clamped-clamped microbeam. The microbeam is fabricated from a polyimide layer coated from the top with Cr/Au and from the bottom with Cr/Au/Cr layer. The geometry of the resonator is optimized to reduce the effect of squeeze film damping, thereby allowing operation under atmospheric pressure. The electrostatic electrode is designed to enhance the excitation of the second mode of vibration with the minimum power required. Significant frequency shift (kHz) is demonstrated for the first time upon water vapor, acetone, and ethanol exposure due to the MOF functionalization and the higher order modes excitation. Also, the adsorption dynamics and MOF selectivity is investigated by studying the decaying time constants of the response upon gas exposure.

Smart Resonant Gas Sensor and Switch Operating in Air With Metal-Organic Frameworks Coating

KAUST Repository

Jaber, Nizar

2017-11-03

We report a resonant gas sensor, uniformly coated with a metal-organic framework (MOF), and excited it near the higher order modes for a higher attained sensitivity. Also, switching upon exceeding a threshold value is demonstrated by operating the resonator near the bifurcation point and the dynamic pull-in instabilities. The resonator is based on an electrostatically excited clamped-clamped microbeam. The microbeam is fabricated from a polyimide layer coated from the top with Cr/Au and from the bottom with Cr/Au/Cr layer. The geometry of the resonator is optimized to reduce the effect of squeeze film damping, thereby allowing operation under atmospheric pressure. The electrostatic electrode is designed to enhance the excitation of the second mode of vibration with the minimum power required. Significant frequency shift (kHz) is demonstrated for the first time upon water vapor, acetone, and ethanol exposure due to the MOF functionalization and the higher order modes excitation. Also, the adsorption dynamics and MOF selectivity is investigated by studying the decaying time constants of the response upon gas exposure.

Numerical simulation of vapor film collapse behavior on high-temperature droplet surface with three-dimensional lattice gas cellular automata

International Nuclear Information System (INIS)

Tochio, Daisuke; Abe, Yutaka; Matsukuma, Yosuke

2008-01-01

It is pointed out that a vapor film on a premixed high-temperature droplet surface is needed to be collapsed to trigger vapor explosion. Thus, it is important to clarify the micromechanism of vapor film collapse behavior for the occurrence of vapor explosion. In a previous study, it is suggested experimentally that vapor film collapse behavior is dominated by phase change phenomena rather than by the surrounding fluid motion. In the present study, vapor film collapse behavior is investigated to clarify the dominant factor of vapor film collapse behavior with lattice gas automata of three-dimensional immiscible lattice gas model (3-D ILG model). First, in order to represent the boiling and phase change phenomena, the thermal model of a heat wall model and a phase change model is newly constructed. Next, the numerical simulation of vapor film collapse behavior is performed with and without the phase change effect. As a result, the computational result with the phase change effect is observed to be almost same as the experimental result. It can be considered that vapor film collapse behavior is dominated by phase change phenomena. (author)

Estimated vapor pressure for WTP process streams

Energy Technology Data Exchange (ETDEWEB)

Pike, J. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Poirier, M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

2015-01-01

Design assumptions during the vacuum refill phase of the Pulsed Jet Mixers (PJMs) in the Hanford Waste Treatment and Immobilization Plant (WTP) equate the vapor pressure of all process streams to that of water when calculating the temperature at which the vacuum refill is reduced or eliminated. WTP design authority asked the authors to assess this assumption by performing calculations on proposed feed slurries to calculate the vapor pressure as a function of temperature. The vapor pressure was estimated for each WTP waste group. The vapor pressure suppression caused by dissolved solids is much greater than the increase caused by organic components such that the vapor pressure for all of the waste group compositions is less than that of pure water. The vapor pressure for each group at 145°F ranges from 81% to 98% of the vapor pressure of water. If desired, the PJM could be operated at higher temperatures for waste groups with high dissolved solids that suppress vapor pressure. The SO4 group with the highest vapor pressure suppression could be operated up to 153°F before reaching the same vapor pressure of water at 145°F. However, most groups would reach equivalent vapor pressure at 147 to 148°F. If any of these waste streams are diluted, the vapor pressure can exceed the vapor pressure of water at mass dilution ratios greater than 10, but the overall effect is less than 0.5%.

Calculation of vapor pressure of fission product fluorides and oxyfluorides

International Nuclear Information System (INIS)

Roux, J.P.

1976-03-01

The equilibrium diagrams of the condensed phases - solid and liquid - and vapor phase are collected for the principal fluorides and oxyfluorides of fission product elements (atomic number from 30 to 66). These diagrams are used more particularly in fuel reprocessing by fluoride volatility process. Calculations and curves (vapor pressure in function of temperature) are processed using a computer program given in this report [fr

Light emitting diodes with InAs/GaAsSb self-assembled quantum dot layer embedded in GaAs

Czech Academy of Sciences Publication Activity Database

Hazdra, P.; Oswald, Jiří; Hospodková, Alice; Hulicius, Eduard; Pangrác, Jiří

2013-01-01

Roč. 543, Sept (2013), 83-87 ISSN 0040-6090 R&D Projects: GA ČR GAP102/10/1201; GA ČR GA202/09/0676 Institutional research plan: CEZ:AV0Z10100521 Keywords : quantum dots * electroluminescence * metalorganic vapor phase epitaxy * InAs * GaAsSb * light emitting diodes Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.867, year: 2013

Preface

Science.gov (United States)

Rudra, Alok

2015-03-01

Facing the French Alps from the northern shore of Lac Léman, the campus of EPFL - Ecole Polytechnique Fédérale de Lausanne - hosted the 17th International Conference on Metalorganic Vapor Phase Epitaxy (ICMOVPE XVII). As a written memory of this event, this special issue of Journal of Crystal Growth offers an insight into the research presented in Lausanne between July 13 and 18, 2014.

Numerical simulation of superheated vapor bubble rising in stagnant liquid

Science.gov (United States)

Samkhaniani, N.; Ansari, M. R.

2017-09-01

In present study, the rising of superheated vapor bubble in saturated liquid is simulated using volume of fluid method in OpenFOAM cfd package. The surface tension between vapor-liquid phases is considered using continuous surface force method. In order to reduce spurious current near interface, Lafaurie smoothing filter is applied to improve curvature calculation. Phase change is considered using Tanasawa mass transfer model. The variation of saturation temperature in vapor bubble with local pressure is considered with simplified Clausius-Clapeyron relation. The couple velocity-pressure equation is solved using PISO algorithm. The numerical model is validated with: (1) isothermal bubble rising and (2) one-dimensional horizontal film condensation. Then, the shape and life time history of single superheated vapor bubble are investigated. The present numerical study shows vapor bubble in saturated liquid undergoes boiling and condensation. It indicates bubble life time is nearly linear proportional with bubble size and superheat temperature.

Driving CO2 to a Quasi-Condensed Phase at the Interface between a Nanoparticle Surface and a Metal-Organic Framework at 1 bar and 298 K.

Science.gov (United States)

Lee, Hiang Kwee; Lee, Yih Hong; Morabito, Joseph V; Liu, Yejing; Koh, Charlynn Sher Lin; Phang, In Yee; Pedireddy, Srikanth; Han, Xuemei; Chou, Lien-Yang; Tsung, Chia-Kuang; Ling, Xing Yi

2017-08-23

We demonstrate a molecular-level observation of driving CO 2 molecules into a quasi-condensed phase on the solid surface of metal nanoparticles (NP) under ambient conditions of 1 bar and 298 K. This is achieved via a CO 2 accumulation in the interface between a metal-organic framework (MOF) and a metal NP surface formed by coating NPs with a MOF. Using real-time surface-enhanced Raman scattering spectroscopy, a >18-fold enhancement of surface coverage of CO 2 is observed at the interface. The high surface concentration leads CO 2 molecules to be in close proximity with the probe molecules on the metal surface (4-methylbenzenethiol), and transforms CO 2 molecules into a bent conformation without the formation of chemical bonds. Such linear-to-bent transition of CO 2 is unprecedented at ambient conditions in the absence of chemical bond formation, and is commonly observed only in pressurized systems (>10 5 bar). The molecular-level observation of a quasi-condensed phase induced by MOF coating could impact the future design of hybrid materials in diverse applications, including catalytic CO 2 conversion and ambient solid-gas operation.

Monitoring and understanding the paraelectric-ferroelectric phase transition in the metal-organic framework [NH4 ][M(HCOO)3 ] by solid-state NMR spectroscopy.

Science.gov (United States)

Xu, Jun; Lucier, Bryan E G; Sinelnikov, Regina; Terskikh, Victor V; Staroverov, Viktor N; Huang, Yining

2015-10-05

The paraelectric-ferroelectric phase transition in two isostructural metal-organic frameworks (MOFs) [NH4 ][M(HCOO)3 ] (M=Mg, Zn) was investigated by in situ variable-temperature (25) Mg, (67) Zn, (14) N, and (13) C solid-state NMR (SSNMR) spectroscopy. With decreasing temperature, a disorder-order transition of NH4 (+) cations causes a change in dielectric properties. It is thought that [NH4 ][Mg(HCOO)3 ] exhibits a higher transition temperature than [NH4 ][Zn(HCOO)3 ] due to stronger hydrogen-bonding interactions between NH4 (+) ions and framework oxygen atoms. (25) Mg and (67) Zn NMR parameters are very sensitive to temperature-induced changes in structure, dynamics, and dielectric behavior; stark spectral differences across the paraelectric-ferroelectric phase transition are intimately related to subtle changes in the local environment of the metal center. Although (25) Mg and (67) Zn are challenging nuclei for SSNMR experiments, the highly spherically symmetric metal-atom environments in [NH4 ][M(HCOO)3 ] give rise to relatively narrow spectra that can be acquired in 30-60 min at a low magnetic field of 9.4 T. Complementary (14) N and (13) C SSNMR experiments were performed to probe the role of NH4 (+) -framework hydrogen bonding in the paraelectric-ferroelectric phase transition. This multinuclear SSNMR approach yields new physical insights into the [NH4 ][M(HCOO)3 ] system and shows great potential for molecular-level studies on electric phenomena in a wide variety of MOFs. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Predicting Metal Speciation & Bioavailability via Estimation of Metal-Organic Thermodynamic Properties

Science.gov (United States)

Prasad, A.; Howells, A. E.; Shock, E.

2017-12-01

The biological fate of any metal depends on its chemical form in the environment. Arsenic for example, is extremely toxic in the form of inorganic As+3 but completely benign in the organic form of arsenobetaine. Thus, given an exhaustive set of reactions and their equilibrium constants (logK), the bioavailability of any metal can be obtained for blood plasma, hydrothermal fluids or any system of interest. While many data exist for metal-inorganic ligands, logK data covering the temperature range of life for metal-organic complexes are sparse. Hence, we decided to estimate metal-organic logK values from correlations with the commonly available values of ligand pKa. Metal ion specific correlations were made with ligands classified according to their electron donor atoms, denticity and other chemical factors. While this approach has been employed before (Carbonaro et al. 2007, GCA 71, 3958-3968), new correlations were developed that provide estimates even when no metal-organic logK is available. In addition, we have used the same methods to make estimates of metal-organic entropy of association (ΔaS), which can provide logK for any temperature of biological relevance. Our current correlations employ logK and ΔaS data from 30 metal ions (like the biologically relevant Fe+3 & Zn+2) and 74 ligands (like formate and ethylenediamine), which can be expanded to estimate the metal-ligand reaction properties for these 30 metal ions with a possibly limitless number of ligands that may belong to our categories of ligands. With the help of such data, copper speciation was obtained for a defined growth medium for methanotrophs employed by Morton et al. (2000, AEM 66, 1730-1733) that agrees with experimental measurements showing that the free metal ion may not be the bioavailable form in all conditions. These results encourage us to keep filling the gaps in metal-organic logK data and continue finding relationships between biological responses (like metal-accumulation ratios

InAs film grown on Si(111) by metal organic vapor phase epitaxy

International Nuclear Information System (INIS)

Caroff, P; Jeppsson, M; Mandl, B; Wernersson, L-E; Wheeler, D; Seabaugh, A; Keplinger, M; Stangl, J; Bauer, G

2008-01-01

We report the successful growth of high quality InAs films directly on Si(111) by Metal Organic Vapor Phase Epitaxy. A nearly mirror-like and uniform InAs film is obtained at 580 0 C for a thickness of 2 μm. We measured a high value of the electron mobility of 5100 cm 2 /Vs at room temperature. The growth is performed using a standard two-step procedure. The influence of the nucleation layer, group V flow rate, and layer thickness on the electrical and morphological properties of the InAs film have been investigated. We present results of our studies by Atomic Force Microscopy, Scanning Electron Microscopy, electrical Hall/van der Pauw and structural X-Ray Diffraction characterization

Metal-organic frameworks at interfaces of hybrid perovskite solar cells for enhanced photovoltaic properties.

Science.gov (United States)

Shen, Deli; Pang, Aiying; Li, Yafeng; Dou, Jie; Wei, Mingdeng

2018-01-31

In this study, metal-organic frameworks, as an interfacial layer, were introduced into perovskite solar cells (PSCs) for the first time. An interface modified with the metal-organic framework ZIF-8 efficiently enhanced perovskite crystallinity and grain sizes, and the photovoltaic performance of the PSCs was significantly improved, resulting in a maximum PCE of 16.99%.

Hydrogen storage in metal-organic frameworks: A review

CSIR Research Space (South Africa)

Langmi, Henrietta W

2014-05-01

Full Text Available Metal-organic frameworks (MOFs) for hydrogen storage have continued to receive intense interest over the past decade. MOFs are a class of organic-inorganic hybrid crystalline materials consisting of metallic moieties that are linked by strong...

A sharp interface method for compressible liquid–vapor flow with phase transition and surface tension

Energy Technology Data Exchange (ETDEWEB)

Fechter, Stefan, E-mail: stefan.fechter@iag.uni-stuttgart.de [Institut für Aerodynamik und Gasdynamik, Universität Stuttgart, Pfaffenwaldring 21, 70569 Stuttgart (Germany); Munz, Claus-Dieter, E-mail: munz@iag.uni-stuttgart.de [Institut für Aerodynamik und Gasdynamik, Universität Stuttgart, Pfaffenwaldring 21, 70569 Stuttgart (Germany); Rohde, Christian, E-mail: Christian.Rohde@mathematik.uni-stuttgart.de [Institut für Angewandte Analysis und Numerische Simulation, Universität Stuttgart, Pfaffenwaldring 57, 70569 Stuttgart (Germany); Zeiler, Christoph, E-mail: Christoph.Zeiler@mathematik.uni-stuttgart.de [Institut für Angewandte Analysis und Numerische Simulation, Universität Stuttgart, Pfaffenwaldring 57, 70569 Stuttgart (Germany)

2017-05-01

The numerical approximation of non-isothermal liquid–vapor flow within the compressible regime is a difficult task because complex physical effects at the phase interfaces can govern the global flow behavior. We present a sharp interface approach which treats the interface as a shock-wave like discontinuity. Any mixing of fluid phases is avoided by using the flow solver in the bulk regions only, and a ghost-fluid approach close to the interface. The coupling states for the numerical solution in the bulk regions are determined by the solution of local two-phase Riemann problems across the interface. The Riemann solution accounts for the relevant physics by enforcing appropriate jump conditions at the phase boundary. A wide variety of interface effects can be handled in a thermodynamically consistent way. This includes surface tension or mass/energy transfer by phase transition. Moreover, the local normal speed of the interface, which is needed to calculate the time evolution of the interface, is given by the Riemann solution. The interface tracking itself is based on a level-set method. The focus in this paper is the description of the two-phase Riemann solver and its usage within the sharp interface approach. One-dimensional problems are selected to validate the approach. Finally, the three-dimensional simulation of a wobbling droplet and a shock droplet interaction in two dimensions are shown. In both problems phase transition and surface tension determine the global bulk behavior.

DETERMINING HOW VAPOR PHASE MTBE REACHES GROUND WATER

Science.gov (United States)

EPA Region 2 and ORD have funded a RARE project for FY 2005/2006 to evaluate the prospects that MTBE (and other fuel components) in vapors that escape from an underground storage tank (UST) can find its way to ground water produced by monitoring wells at a gasoline filling statio...

Distribution of multi-component solvents in solvent vapor extraction chamber

Energy Technology Data Exchange (ETDEWEB)

Das, S. [Society of Petroleum Engineers, Richardson, TX (United States)]|[Marathon Oil Corp., Houston, TX (United States)

2008-10-15

Vapex process performance is sensitive to operating pressures, temperatures and the types of solvent used. The hydrocarbon solvents used in Vapex processes typically have between 5 and 10 per cent hydrocarbon impurities, and the accumulation of dense phases inside the vapor chamber reduces gravity drainage potential. This study investigated the partitioning of solvent compounds inside the vapor chamber during in situ Vapex processes.The aim of the study was to examine how the different components of the mixed solvent partitioned inside the extracted chamber during the oil and vapor phase. A 2-D homogenous reservoir model was used to simulate the Vapex process with a solvent mixture comprised of propane and methane at various percentages. The effect of injecting a hot solvent vapor was also investigated. The study showed that injected methane accumulated at both the top and the extraction interface. Accumulations near the top had a positive impact on solvent confinement in thin reservoirs. Diffusion of the solvent component was controlled by gas phase molecular diffusion, and was much faster than the diffusion of solvent molecules in the liquid phase. The use of hot solvent mixtures slowed the extraction process due to lower solvent solubility in the oil phase. It was concluded that the negative impact on viscosity reduction by dilution was not compensated by rises in temperature. 6 refs., 11 figs.

Mobile vapor recovery and vapor scavenging unit

International Nuclear Information System (INIS)

Stokes, C.A.; Steppe, D.E.

1991-01-01

This patent describes a mobile anti- pollution apparatus, for the recovery of hydrocarbon emissions. It comprises a mobile platform upon which is mounted a vapor recovery unit for recovering vapors including light hydrocarbons, the vapor recovery unit having an inlet and an outlet end, the inlet end adapted for coupling to an external source of hydrocarbon vapor emissions to recover a portion of the vapors including light hydrocarbons emitted therefrom, and the outlet end adapted for connection to a means for conveying unrecovered vapors to a vapor scavenging unit, the vapor scavenging unit comprising an internal combustion engine adapted for utilizing light hydrocarbon in the unrecovered vapors exiting from the vapor recovery unit as supplemental fuel

Uptake rate constants and partition coefficients for vapor phase organic chemicals using semipermeable membrane devices (SPMDs)

Science.gov (United States)

Cranor, W.L.; Alvarez, D.A.; Huckins, J.N.; Petty, J.D.

2009-01-01

To fully utilize semipermeable membrane devices (SPMDs) as passive samplers in air monitoring, data are required to accurately estimate airborne concentrations of environmental contaminants. Limited uptake rate constants (kua) and no SPMD air partitioning coefficient (Ksa) existed for vapor-phase contaminants. This research was conducted to expand the existing body of kinetic data for SPMD air sampling by determining kua and Ksa for a number of airborne contaminants including the chemical classes: polycyclic aromatic hydrocarbons, organochlorine pesticides, brominated diphenyl ethers, phthalate esters, synthetic pyrethroids, and organophosphate/organosulfur pesticides. The kuas were obtained for 48 of 50 chemicals investigated and ranged from 0.03 to 3.07??m3??g-1??d-1. In cases where uptake was approaching equilibrium, Ksas were approximated. Ksa values (no units) were determined or estimated for 48 of the chemicals investigated and ranging from 3.84E+5 to 7.34E+7. This research utilized a test system (United States Patent 6,877,724 B1) which afforded the capability to generate and maintain constant concentrations of vapor-phase chemical mixtures. The test system and experimental design employed gave reproducible results during experimental runs spanning more than two years. This reproducibility was shown by obtaining mean kua values (n??=??3) of anthracene and p,p???-DDE at 0.96 and 1.57??m3??g-1??d-1 with relative standard deviations of 8.4% and 8.6% respectively.

Effect of band alignment on photoluminescence and carrier escape from InP surface quantum dots grown by metalorganic chemical vapor deposition on Si

Energy Technology Data Exchange (ETDEWEB)

Halder, Nripendra N. [Advanced Technology Development Centre, Indian Institute of Technology, Kharagpur 721 302 (India); Biswas, Pranab; Banerji, P., E-mail: pallab@matsc.iitkgp.ernet.in [Materials Science Centre, Indian Institute of Technology, Kharagpur 721 302 (India); Dhabal Das, Tushar; Das, Sanat Kr.; Chattopadhyay, S. [Department of Electronic Science, University of Calcutta, 92 Acharya Prafulla Chandra Road, Kolkata 700 009 (India); Biswas, D. [Department of Electronics and Electrical Communication Engineering, Indian Institute of Technology, Kharagpur 721 302 (India)

2014-01-28

A detailed analysis of photoluminescence (PL) from InP quantum dots (QDs) grown on Si has been carried out to understand the effect of substrate/host material in the luminescence and carrier escape process from the surface quantum dots. Such studies are required for the development of monolithically integrated next generation III-V QD based optoelectronics with fully developed Si microelectronics. The samples were grown by atmospheric pressure metalorganic chemical vapor deposition technique, and the PL measurements were made in the temperature range 10–80 K. The distribution of the dot diameter as well as the dot height has been investigated from atomic force microscopy. The origin of the photoluminescence has been explained theoretically. The band alignment of InP/Si heterostructure has been determined, and it is found be type II in nature. The positions of the conduction band minimum of Si and the 1st excited state in the conduction band of InP QDs have been estimated to understand the carrier escape phenomenon. A blue shift with a temperature co-efficient of 0.19 meV/K of the PL emission peak has been found as a result of competitive effect of different physical processes like quantum confinement, strain, and surface states. The corresponding effect of blue shift by quantum confinement and strain as well as the red shift by the surface states in the PL peaks has been studied. The origin of the luminescence in this heterojunction is found to be due to the recombination of free excitons, bound excitons, and a transition from the 1st electron excited state in the conduction band (e{sub 1}) to the heavy hole band (hh{sub 1}). Monotonic decrease in the PL intensity due to increase of thermally escaped carriers with temperature has been observed. The change in barrier height by the photogenerated electric-field enhanced the capture of the carriers by the surface states rather than their accumulation in the QD excited state. From an analysis of the dependence of

Role of hydrogen in Sb film deposition and characterization of Sb and GexSby films deposited by cyclic plasma enhanced chemical vapor deposition using metal-organic precursors

International Nuclear Information System (INIS)

Kim, Hyung Keun; Jung, Jin Hwan; Choi, Doo Jin

2012-01-01

To meet increasing demands for chemical vapor deposition methods for high performance phase-change memory, cyclic plasma enhanced chemical vapor deposition of Sb and Ge x Sb y phase-change films and characterization of their properties were performed. Two cycle sequences were designed to investigate the role of hydrogen gas as a reduction gas during Sb film deposition. Hydrogen gas was not introduced into the reaction chamber during the purge step in cycle sequence A and was introduced during the purge step for cycle sequence B. The role of hydrogen gas was investigated by comparing the results obtained from these two cycle sequences and was concluded to exert an effect by a combination of precursor decomposition, surface maintenance as a hydrogen termination agent, and surface etching. These roles of hydrogen gas are discussed through consideration of changes in deposition rates, the oxygen concentration on the surface of the Sb film, and observations of film surface morphology. Based on these results, Ge x Sb y phase-change films were deposited with an adequate flow rate of hydrogen gas. The Ge and Sb composition of the film was controlled with the designed cycle sequences. A strong oxygen affinity for Ge was observed during the X-ray photoelectron spectroscopy analysis of Sb 3d, Sb 4d, and Ge 3d orbitals. Based on the XPS results, the ratios of Ge to Sb were calculated to be Ge 0.32 Sb 0.68 , Ge 0.38 Sb 0.62 , Ge 0.44 Sb 0.56 , Ge 0.51 Sb 0.49 and Ge 0.67 Sb 0.33 for the G1S7, G1S3, G1S2, G1S1, and G2S1 cycles, respectively. Crystal structures of Sb, Ge, and the GeSb metastable phase were observed with various Ge x Sb y film compositions. Sb crystallinity decreased with respect to Ge crystallinity by increasing the Ge fraction. A current–voltage curve was introduced, and an electro-switching phenomenon was clearly generated at a typical voltage, V th . V th values increased in conjunction with an increased proportion of Ge. The Sb crystallinity decrease and V

Method for the generation of variable density metal vapors which bypasses the liquidus phase

Science.gov (United States)

Kunnmann, Walter; Larese, John Z.

2001-01-01

The present invention provides a method for producing a metal vapor that includes the steps of combining a metal and graphite in a vessel to form a mixture; heating the mixture to a first temperature in an argon gas atmosphere to form a metal carbide; maintaining the first temperature for a period of time; heating the metal carbide to a second temperature to form a metal vapor; withdrawing the metal vapor and the argon gas from the vessel; and separating the metal vapor from the argon gas. Metal vapors made using this method can be used to produce uniform powders of the metal oxide that have narrow size distribution and high purity.

Vapor pressure, heat capacities, and phase transitions of tetrakis(tert-butoxy)hafnium

Czech Academy of Sciences Publication Activity Database

Fulem, Michal; Růžička, K.

2011-01-01

Roč. 311, Dec. (2011), s. 25-29 ISSN 0378-3812 Institutional research plan: CEZ:AV0Z10100521 Keywords : tetrakis(tert-butoxy)hafnium * MO precursor * vapor pressure * heat capacity * vaporization enthalpy * enthalpy of fusion Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.139, year: 2011

Predicting the growth of S i3N4 nanowires by phase-equilibrium-dominated vapor-liquid-solid mechanism

Science.gov (United States)

Zhang, Yongliang; Cai, Jing; Yang, Lijun; Wu, Qiang; Wang, Xizhang; Hu, Zheng

2017-09-01

Nanomaterial synthesis is experiencing a profound evolution from empirical science ("cook-and-look") to prediction and design, which depends on the deep insight into the growth mechanism. Herein, we report a generalized prediction of the growth of S i3N4 nanowires by nitriding F e28S i72 alloy particles across different phase regions based on our finding of the phase-equilibrium-dominated vapor-liquid-solid (PED-VLS) mechanism. All the predictions about the growth of S i3N4 nanowires, and the associated evolutions of lattice parameters and geometries of the coexisting Fe -Si alloy phases, are experimentally confirmed quantitatively. This progress corroborates the general validity of the PED-VLS mechanism, which could be applied to the design and controllable synthesis of various one-dimensional nanomaterials.

Feasibility of using of the second gradient theory for the direct numerical simulation of liquid-vapor flows with phase-change; Etude des potentialites de la theorie du second gradient pour la simulation numerique directe des ecoulements liquide-vapeur avec changement de phase

Energy Technology Data Exchange (ETDEWEB)

Jamet, D. [CEA Grenoble, 38 (France). Dept. de Thermohydraulique et de Physique]|[Ecole Centrale de Paris, 75 (France)

1998-12-31

One on the main difficulties encountered in the direct numerical simulation of two-phase flows in general and of liquid-vapor flows with phase-change in particular, is the interface tracking. The idea developed in this work consists in modeling a liquid-vapor interface as a volumetric zone across which physical properties vary continuously instead of a discontinuous surface. The second gradient theory allows to establish the evolution equations of the fluid in the whole system: bulk phases and interfaces. That means that the resolution of a unique system of partial differential equations is necessary to determine the whole two-phase flow, the interfaces and their evolution in time being a part of the solution of this unique system. We show in this work that it is possible to artificially enlarge an interface without changing its surface tension and the latent heat of vaporization. That means than it is possible to track all the interfaces of a liquid-vapor two-phase flow with phase-change on a mesh the size of which is imposed by the smallest Kolmogorov scale of the bulk phases for example. The artificial enlargement of an interfacial zone is obtained by modifying the thermodynamic behavior of the fluid within the binodal. We show that this modification does not change the dynamics of an interface. However, although the thickness of an interface and its surface tension vary with the mass and heat fluxes that go though it, the thermodynamic modification necessary to the artificial enlargement of an interface drastically increases these variations. Consequently, the artificial enlargement of an interface must be made carefully to avoid a too much important variation of its surface tension during dynamic situations. (author) 60 refs.

Tank vapor sampling and analysis data package for tank 241-C-106 waste retrieval sluicing system process test phase III, sampled March 28, 1999

International Nuclear Information System (INIS)

LOCKREM, L.L.

1999-01-01

This data package presents sampling data and analytical results from the March 28, 1999, vapor sampling of Hanford Site single-shell tank 241-C-106 during active sluicing. Samples were obtained from the 296-C-006 ventilation system stack and ambient air at several locations. Characterization Project Operations (CPO) was responsible for the collection of all SUMMATM canister samples. The Special Analytical Support (SAS) vapor team was responsible for the collection of all triple sorbent trap (TST), sorbent tube train (STT), polyurethane foam (PUF), and particulate filter samples collected at the 296-C-006 stack. The SAS vapor team used the non-electrical vapor sampling (NEVS) system to collect samples of the air, gases, and vapors from the 296-C-006 stack. The SAS vapor team collected and analyzed these samples for Lockheed Martin Hanford Corporation (LMHC) and Tank Waste Remediation System (TWRS) in accordance with the sampling and analytical requirements specified in the Waste Retrieval Sluicing System Vapor Sampling and Analysis Plan (SAP) for Evaluation of Organic Emissions, Process Test Phase III, HNF-4212, Rev. 0-A, (LMHC, 1999). All samples were stored in a secured Radioactive Materials Area (RMA) until the samples were radiologically released and received by SAS for analysis. The Waste Sampling and Characterization Facility (WSCF) performed the radiological analyses. The samples were received on April 5, 1999

Vapor hydration and subsequent leaching of transuranic-containing SRL and WV glasses

International Nuclear Information System (INIS)

Bates, J.K.; Ebert, W.L.; Gerding, T.J.

1989-09-01

Prior to contact by liquid water and subsequent leaching, high-level nuclear waste glass subject to disposal in the unsaturated environment at Yucca Mountain, Nevada, will be altered through contact with humid air. Conditions could range from temperatures as high as 200 degree C to ambient repository temperature after cooling and relative humidities up to 100% depending on the air flow and heat transport dynamics of the waste package and near field environments. However, under any potential set of temperature/humidity conditions, the glass will undergo alteration via well-established vapor phase hydration processes. In the present paper, the results of a set of parametric experiments are described, whereby vapor phase hydrated glasses were subjected to leaching under static conditions. The purpose of the experiments was to (1) compare the leaching of vapor phase altered glass to that of fresh glass, (2) to develop techniques for determining the radionuclide content of secondary phases that formed during the hydration reaction, and (3) to provide a basis for performing long-term saturated and unsaturated testing of vapor hydrated glass. 3 refs., 2 figs., 2 tabs

Treatment of Produced Waters Using a Surfactant Modified Zeolite/Vapor Phase Bioreactor System

Energy Technology Data Exchange (ETDEWEB)

Lynn E. Katz; Kerry A. Kinney; R. S. Bowman; E. J. Sullivan

2004-03-11

This report summarizes work of this project from October 2003 through March 2004. The major focus of the research was to further investigate BTEX removal from produced water, to quantify metal ion removal from produced water, and to evaluate a lab-scale vapor phase bioreactor (VPB) for BTEX destruction in off-gases produced during SMZ regeneration. Batch equilibrium sorption studies were conducted to evaluate the effect of semi-volatile organic compounds commonly found in produced water on the sorption of benzene, toluene, ethylbenzene, and xylene (BTEX) onto surfactant-modified zeolite (SMZ) and to examine selected metal ion sorption onto SMZ. The sorption of polar semi-volatile organic compounds and metals commonly found in produced water onto SMZ was also investigated. Batch experiments were performed in a synthetic saline solution that mimicked water from a produced water collection facility in Wyoming. Results indicated that increasing concentrations of semi-volatile organic compounds increased BTEX sorption. The sorption of phenol compounds could be described by linear isotherms, but the linear partitioning coefficients decreased with increasing pH, especially above the pKa's of the compounds. Linear correlations relating partitioning coefficients of phenol compounds with their respective solubilities and octanol-water partitioning coefficients were developed for data collected at pH 7.2. The sorption of chromate, selenate, and barium in synthetic produced water were also described by Langmuir isotherms. Experiments conducted with a lab-scale vapor phase bioreactor (VPB) packed with foam indicated that this system could achieve high BTEX removal efficiencies once the nutrient delivery system was optimized. The xylene isomers and benzene were found to require the greatest biofilter bed depth for removal. This result suggested that these VOCs would ultimately control the size of the biofilter required for the produced water application. The biofilter

Dynamics of trivalent rare earth molecular vapor lasers

International Nuclear Information System (INIS)

Krupke, W.F.

1976-01-01

Radiative transition probabilities in neodymium bearing vapors are reviewed and calculations are extended to visible laser transitions in terbium bearing vapor. Nonradiative relaxation processes in the pure and complexed halides are treated in greater detail. While precise, quantitative relaxation probabilities cannot be calculated on the basis of information presently available, plausibility arguments can be established which indicate the order of magnitude of relevant nonradiative decay probabilities. Reference to solid and liquid state nonradiative relaxation data for rare earth ions is reviewed to support the plausibility arguments for the vapor state. Having established the likelihood of high fluorescence yields in the vapor phase, various methods of laser pumping are discussed: optical pumping via parity allowed 4f-5d transitions; optical pumping via charge transfer bands of the vapor complex; and direct electron beam pumping

Vaporization of a mixed precursors in chemical vapor deposition for YBCO films

Science.gov (United States)

Zhou, Gang; Meng, Guangyao; Schneider, Roger L.; Sarma, Bimal K.; Levy, Moises

1995-01-01

Single phase YBa2Cu3O7-delta thin films with T(c) values around 90 K are readily obtained by using a single source chemical vapor deposition technique with a normal precursor mass transport. The quality of the films is controlled by adjusting the carrier gas flow rate and the precursor feed rate.

Thin film solar cells grown by organic vapor phase deposition

Science.gov (United States)

Yang, Fan

Organic solar cells have the potential to provide low-cost photovoltaic devices as a clean and renewable energy resource. In this thesis, we focus on understanding the energy conversion process in organic solar cells, and improving the power conversion efficiencies via controlled growth of organic nanostructures. First, we explain the unique optical and electrical properties of organic materials used for photovoltaics, and the excitonic energy conversion process in donor-acceptor heterojunction solar cells that place several limiting factors of their power conversion efficiency. Then, strategies for improving exciton diffusion and carrier collection are analyzed using dynamical Monte Carlo models for several nanostructure morphologies. Organic vapor phase deposition is used for controlling materials crystallization and film morphology. We improve the exciton diffusion efficiency while maintaining good carrier conduction in a bulk heterojunction solar cell. Further efficiency improvement is obtained in a novel nanocrystalline network structure with a thick absorbing layer, leading to the demonstration of an organic solar cell with 4.6% efficiency. In addition, solar cells using simultaneously active heterojunctions with broad spectral response are presented. We also analyze the efficiency limits of single and multiple junction organic solar cells, and discuss the challenges facing their practical implementations.

Neutron powder diffraction of metal-organic frameworks for ...

Indian Academy of Sciences (India)

We review recent structural studies that we have undertaken aimed at elucidating the fundamental properties of metal-organic framework materials and their interactions with hydrogen. We have shown that exposing coordinatively unsaturated metal centers can greatly enhance the hydrogen binding energy and that they ...

Combined vertically correlated InAs and GaAsSb quantum dots separated by triangular GaAsSb barrier

Czech Academy of Sciences Publication Activity Database

Hospodková, Alice; Oswald, Jiří; Pangrác, Jiří; Zíková, Markéta; Kubištová, Jana; Komninou, Ph.; Kioseoglou, J.; Kuldová, Karla; Hulicius, Eduard

2013-01-01

Roč. 114, č. 17 (2013), "174305-1"-"174305-5" ISSN 0021-8979 R&D Projects: GA ČR GA13-15286S; GA MŠk 7AMB12GR034; GA MŠk(CZ) LM2011026 Institutional support: RVO:68378271 Keywords : quantum dots * metal-organic vapor phase epitaxy * InAs * GaAs * GaAsSb Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.185, year: 2013

Recent advances in metal-organic frameworks and covalent organic frameworks for sample preparation and chromatographic analysis.

Science.gov (United States)

Wang, Xuan; Ye, Nengsheng

2017-12-01

In the field of analytical chemistry, sample preparation and chromatographic separation are two core procedures. The means by which to improve the sensitivity, selectivity and detection limit of a method have become a topic of great interest. Recently, porous organic frameworks, such as metal-organic frameworks (MOFs) and covalent organic frameworks (COFs), have been widely used in this research area because of their special features, and different methods have been developed. This review summarizes the applications of MOFs and COFs in sample preparation and chromatographic stationary phases. The MOF- or COF-based solid-phase extraction (SPE), solid-phase microextraction (SPME), gas chromatography (GC), high-performance liquid chromatography (HPLC) and capillary electrochromatography (CEC) methods are described. The excellent properties of MOFs and COFs have resulted in intense interest in exploring their performance and mechanisms for sample preparation and chromatographic separation. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Study of Charge Carrier Transport in GaN Sensors

Science.gov (United States)

Gaubas, Eugenijus; Ceponis, Tomas; Kuokstis, Edmundas; Meskauskaite, Dovile; Pavlov, Jevgenij; Reklaitis, Ignas

2016-01-01

Capacitor and Schottky diode sensors were fabricated on GaN material grown by hydride vapor phase epitaxy and metal-organic chemical vapor deposition techniques using plasma etching and metal deposition. The operational characteristics of these devices have been investigated by profiling current transients and by comparing the experimental regimes of the perpendicular and parallel injection of excess carrier domains. Profiling of the carrier injection location allows for the separation of the bipolar and the monopolar charge drift components. Carrier mobility values attributed to the hydride vapor phase epitaxy (HVPE) GaN material have been estimated as μe = 1000 ± 200 cm2/Vs for electrons, and μh = 400 ± 80 cm2/Vs for holes, respectively. Current transients under injection of the localized and bulk packets of excess carriers have been examined in order to determine the surface charge formation and polarization effects. PMID:28773418

Growth of GaN layers using Ga2O vapor obtained from Ga and H2O vapor

International Nuclear Information System (INIS)

Sumi, Tomoaki; Taniyama, Yuuki; Takatsu, Hiroaki; Juta, Masami; Kitamoto, Akira; Imade, Mamoru; Yoshimura, Masashi; Mori, Yusuke; Isemura, Masashi

2015-01-01

In this study, we performed growth of GaN layers using Ga 2 O vapor synthesized from Ga and H 2 O vapor. In this process, we employed H 2 O vapor instead of HCl gas in hydride vapor phase epitaxy (HVPE) to synthesize Ga source gas. In the synthesis reaction of Ga 2 O, a Ga 2 O 3 whisker formed and covered Ga, which impeded the synthesis reaction of Ga 2 O. The formation of the Ga 2 O 3 whisker was suppressed in H 2 ambient at high temperatures. Then, we adopted this process to supply a group III precursor and obtained an epitaxial layer. X-ray diffraction (XRD) measurement revealed that the epitaxial layer was single-crystalline GaN. Growth rate increased linearly with Ga 2 O partial pressure and reached 104 µm/h. (author)

Mass spectrometric study of vaporization of (U,Pu)O2 fuel simulating high burnup

International Nuclear Information System (INIS)

Maeda, Atsushi; Ohmichi, Toshihiko; Fukushima, Susumu; Handa, Muneo

1985-08-01

The vaporization behavior of (U,Pu)O 2 fuel simulatig high burnup was studied in the temperature range of 1,573 -- 2,173 K by high temperature mass spectrometry. The phases in the simulated fuel were examined by X-ray microprobe analysis. The relationship between chemical form and vaporization behavior of simulated fission product elements was discussed. Pd, Sr, Ba, Ce and actinide-bearing vapor species were observed, and it was clarified that Pd vapor originated from metallic inclusion and Sr and Ce vapors, from mixed oxide fuel matrix. The vaporization behavior of the actinide elements was somewhat similar to that of hypostoichiometric mixed oxide fuel. The behavior of Ba-bearing vapor species changed markedly over about 2,000 K. From the determination of BaO vapor pressures over simulated fuel and BaZrO 3 , it was revealed thermodynamically that the transformation of the chemical form of Ba about 2,000 K, i.e., dissolution of BaZrO 3 phase into fuel matrix, might be the reason of the observed vapor pressure change. (author)

Molecular dynamics study of kinetic boundary condition at an interface between a polyatomic vapor and its condensed phase

OpenAIRE

Ishiyama, Tatsuya; Yano, Takeru; Fujikawa, Shigeo

2004-01-01

The kinetic boundary condition for the Boltzmann equation at an interface between a polyatomic vapor and its liquid phase is investigated by the numerical method of molecular dynamics, with particular emphasis on the functional form of the evaporation part of the boundary condition, including the evaporation coefficient. The present study is an extension of a previous one for argon [Ishiyama, Yano, and Fujikawa, Phys. Fluids 16, 2899 (2004)] to water and methanol, typical examples of polyatom...

Epitaxy physical principles and technical implementation

CERN Document Server

Herman, Marian A; Sitter, Helmut

2004-01-01

Epitaxy provides readers with a comprehensive treatment of the modern models and modifications of epitaxy, together with the relevant experimental and technological framework. This advanced textbook describes all important aspects of the epitaxial growth processes of solid films on crystalline substrates, including a section on heteroepitaxy. It covers and discusses in details the most important epitaxial growth techniques, which are currently widely used in basic research as well as in manufacturing processes of devices, namely solid-phase epitaxy, liquid-phase epitaxy, vapor-phase epitaxy, including metal-organic vapor-phase epitaxy and molecular-beam epitaxy. Epitaxy’s coverage of science and texhnology thin-film is intended to fill the need for a comprehensive reference and text examining the variety of problems related to the physical foundations and technical implementation of epitaxial crystallization. It is intended for undergraduate students, PhD students, research scientists, lecturers and practic...

Vapor pressures and vapor compositions in equilibrium with hypostoichiometric uranium-plutonium dioxide at high temperatures

International Nuclear Information System (INIS)

Green, D.W.; Fink, J.K.; Leibowitz, L.

1982-01-01

Vapor pressures and vapor compositions in equilibrium with a hypostoichiometric uranium-plutonium dioxide condensed phase (U/sub 1-y/Pu/sub y/)O/sub 2-x/, as functions of T, x, and y, have been calculated for 0.0 less than or equal to x less than or equal to 0.1, 0.0 less than or equal to y less than or equal to 0.3, and for the temperature range 2500 less than or equal to T less than or equal to 6000 K. The range of compositions and temperatures was limited to the region of interest to reactor safety analysis. Thermodynamic functions for the condensed phase and for each of the gaseous species were combined with an oxygen potential model to obtain partial pressures of O, O 2 , Pu, PuO, PuO 2 , U, UO, UO 2 , and UO 3 as functions of T, x, and y

The role of fragmentation mechanism in large-scale vapor explosions

International Nuclear Information System (INIS)

Liu, Jie

2003-01-01

A non-equilibrium, multi-phase, multi-component code PROVER-I is developed for propagation phase of vapor explosion. Two fragmentation models are used. The hydrodynamic fragmentation model is the same as Fletcher's one. A new thermal fragmentation model is proposed with three kinds of time scale for modeling instant fragmentation, spontaneous nucleation fragmentation and normal boiling fragmentation. The role of fragmentation mechanisms is investigated by the simulations of the pressure wave propagation and energy conversion ratio of ex-vessel vapor explosion. The spontaneous nucleation fragmentation results in a much higher pressure peak and a larger energy conversion ratio than hydrodynamic fragmentation. The instant fragmentation gives a slightly larger energy conversion ratio than spontaneous nucleation fragmentation, and the normal boiling fragmentation results in a smaller energy conversion ratio. The detailed analysis of the structure of pressure wave makes it clear that thermal detonation exists only under the thermal fragmentation circumstance. The high energy conversion ratio is obtained in a small vapor volume fraction. However, in larger vapor volume fraction conditions, the vapor explosion is weak. In a large-scale vapor explosion, the hydrodynamic fragmentation is essential when the pressure wave becomes strong, so a small energy conversion ratio is expected. (author)

Structural, electrical and luminescent characteristics of ultraviolet light emitting structures grown by hydride vapor phase epitaxy

Directory of Open Access Journals (Sweden)

A.Y. Polyakov

2017-03-01

Full Text Available Electrical and luminescent properties of near-UV light emitting diode structures (LEDs prepared by hydride vapor phase epitaxy (HVPE were studied. Variations in photoluminescence and electroluminescence efficiency observed for LEDs grown under nominally similar conditions could be attributed to the difference in the structural quality (dislocation density, density of dislocations agglomerates of the GaN active layers, to the difference in strain relaxation achieved by growth of AlGaN/AlGaN superlattice and to the presence of current leakage channels in current confining AlGaN layers of the double heterostructure.

Identification of vapor-phase chemical warfare agent simulants and rocket fuels using laser-induced breakdown spectroscopy

International Nuclear Information System (INIS)

Stearns, Jaime A.; McElman, Sarah E.; Dodd, James A.

2010-01-01

Application of laser-induced breakdown spectroscopy (LIBS) to the identification of security threats is a growing area of research. This work presents LIBS spectra of vapor-phase chemical warfare agent simulants and typical rocket fuels. A large dataset of spectra was acquired using a variety of gas mixtures and background pressures and processed using partial least squares analysis. The five compounds studied were identified with a 99% success rate by the best method. The temporal behavior of the emission lines as a function of chamber pressure and gas mixture was also investigated, revealing some interesting trends that merit further study.

Identification of vapor-phase chemical warfare agent simulants and rocket fuels using laser-induced breakdown spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Stearns, Jaime A.; McElman, Sarah E.; Dodd, James A.

2010-05-01

Application of laser-induced breakdown spectroscopy (LIBS) to the identification of security threats is a growing area of research. This work presents LIBS spectra of vapor-phase chemical warfare agent simulants and typical rocket fuels. A large dataset of spectra was acquired using a variety of gas mixtures and background pressures and processed using partial least squares analysis. The five compounds studied were identified with a 99% success rate by the best method. The temporal behavior of the emission lines as a function of chamber pressure and gas mixture was also investigated, revealing some interesting trends that merit further study.

Magmatic Vapor Phase Transport of Copper in Reduced Porphyry Copper-Gold Deposits: Evidence From PIXE Microanalysis of Fluid Inclusions

Science.gov (United States)

Rowins, S. M.; Yeats, C. J.; Ryan, C. G.

2002-05-01

Nondestructive proton-induced X-ray emission (PIXE) studies of magmatic fluid inclusions in granite-related Sn-W deposits [1] reveal that copper transport out of reduced felsic magmas is favored by low-salinity vapor and not co-existing high-salinity liquid (halite-saturated brine). Copper transport by magmatic vapor also has been documented in oxidized porphyry Cu-Au deposits, but the magnitude of Cu partitioning into the vapor compared to the brine generally is less pronounced than in the reduced magmatic Sn-W systems [2]. Consideration of these microanalytical data leads to the hypothesis that Cu and, by inference, Au in the recently established "reduced porphyry copper-gold" (RPCG) subclass should partition preferentially into vapor and not high-salinity liquid exsolving directly from fluid-saturated magmas [3-4]. To test this hypothesis, PIXE microanalysis of primary fluid inclusions in quartz-sulfide (pyrite, pyrrhotite & chalcopyrite) veins from two RPCG deposits was undertaken using the CSIRO-GEMOC nuclear microprobe. PIXE microanalysis for the ~30 Ma San Anton deposit (Mexico) was done on halite-saturated aqueous brine (deposit (W. Australia) was done on halite-saturated "aqueous" inclusions, which contain a small (deposits of the new RPCG subclass demonstrate the greater potential of these systems, compared to the classically oxidized porphyry Cu-Au systems, to transport Cu and probably precious metals in a magmatic aqueous vapor phase. These PIXE data also support the possibility that Cu partitions preferentially into an immiscible CO2-rich magmatic fluid. References: [1] Heinrich, C.A. et al. (1992) Econ. Geol., 87, 1566-1583. [2] Heinrich, C.A. et al. (1999) Geology, 27, 755-758. [3] Rowins, S.M. (2000) Geology, 28, 491-494. [4] Rowins, S.M. (2000) The Gangue, GAC-MDD Newsletter, 67, 1-7 (www.gac.ca). [5] Rowins, S.M. et al. (1993) Geol. Soc. Australia Abs., 34, 68-70.

Laboratory testing of the in-well vapor-stripping system

International Nuclear Information System (INIS)

Gilmore, T.J.; Francois, O.

1996-03-01

The Volatile organic Compounds-Arid Integrated Demonstration (VOC-Arid ID) was implemented by the US Department of Energy's (DOE's) Office of Technology Development to develop and test new technologies for the remediation of organic chemicals in the subsurface. One of the technologies being tested under the VOC-Arid ID is the in-well vapor-stripping system. The in-well vapor-stripping concept was initially proposed by researchers at Stanford University and is currently under development through a collaboration between workers at Stanford University and DOE's Pacific Northwest National Laboratory. The project to demonstrate the in-well vapor-stripping technology is divided into three phases: (1) conceptual model and computer simulation, (2) laboratory testing, and (3) field demonstration. This report provides the methods and results of the laboratory testing in which a full-scale replica was constructed and tested above ground in a test facility located at DOE's Hanford Site, Washington. The system is a remediation technology designed to preferentially extract volatile organic compounds (VOCs) from contaminated groundwater by converting them to a vapor phase

Fabrication of metal-organic framework MIL-88B films on stainless steel fibers for solid-phase microextraction of polychlorinated biphenyls.

Science.gov (United States)

Wu, Ye-Yu; Yang, Cheng-Xiong; Yan, Xiu-Ping

2014-03-21

Metal-organic frameworks (MOFs) have received considerable attention as novel sorbents for sample preparation due to their fascinating structures and functionalities such as large surface area, good thermal stability, and uniform structured nanoscale cavities. Here, we report the application of a thermal and solvent stable MOF MIL-88B with nanosized bipyramidal cages and large surface area for solid-phase microextraction (SPME) of polychlorinated biphenyls (PCBs). Novel MIL-88B coated fiber was fabricated via an in situ hydrothermal growth of MIL-88B film on etched stainless steel fiber. The MIL-88B coated fiber gave large enhancement factors (757-2243), low detection limits (0.45-1.32ngL(-1)), and good linearity (5-200ngL(-1)) for PCBs. The relative standard deviation (RSD) for six replicate extractions of PCBs at 100ngL(-1) on MIL-88B coated fiber ranged from 4.2% to 8.7%. The recoveries for spiked PCBs (10ngL(-1)) in water and soil samples were in the range of 79.7-103.2%. Besides, the MIL-88B coated fiber was stable enough for 150 extraction cycles without significant loss of extraction efficiency. The developed method was successfully applied to the determination of PCBs in water samples and soil samples. Copyright © 2014 Elsevier B.V. All rights reserved.

Thermodynamic analysis of trimethylgallium decomposition during GaN metal organic vapor phase epitaxy

Science.gov (United States)

Sekiguchi, Kazuki; Shirakawa, Hiroki; Chokawa, Kenta; Araidai, Masaaki; Kangawa, Yoshihiro; Kakimoto, Koichi; Shiraishi, Kenji

2018-04-01

We analyzed the decomposition of Ga(CH3)3 (TMG) during the metal organic vapor phase epitaxy (MOVPE) of GaN on the basis of first-principles calculations and thermodynamic analysis. We performed activation energy calculations of TMG decomposition and determined the main reaction processes of TMG during GaN MOVPE. We found that TMG reacts with the H2 carrier gas and that (CH3)2GaH is generated after the desorption of the methyl group. Next, (CH3)2GaH decomposes into (CH3)GaH2 and this decomposes into GaH3. Finally, GaH3 becomes GaH. In the MOVPE growth of GaN, TMG decomposes into GaH by the successive desorption of its methyl groups. The results presented here concur with recent high-resolution mass spectroscopy results.

Hollow nanoporous covalent triazine frameworks via acid vapor-assisted solid phase synthesis for enhanced visible light photoactivity

KAUST Repository

Huang, Wei

2016-04-11

Herein, we report a novel trifluoromethanesulfonic acid vapor-assisted solid phase synthetic method to construct nanoporous covalent triazine frameworks with highly ordered hollow interconnected pores under mild reaction conditions. This unique solid state synthetic route allows not only the avoidance of undesired side reactions caused by traditional high temperature synthesis, but also the maintaining of defined and precise optical and electronic properties of the nonporous triazine frameworks. Promising photocatalytic activity of the polytriazine networks was demonstrated in the photoreduction reaction of 4-nitrophenol into 4-aminophenol under visible light irradiation.

Hollow nanoporous covalent triazine frameworks via acid vapor-assisted solid phase synthesis for enhanced visible light photoactivity

KAUST Repository

Huang, Wei; Wang, Zi Jun; Ma, Beatriz Chiyin; Ghasimi, Saman; Gehrig, Dominik; Laquai, Fré dé ric; Landfester, Katharina; Zhang, Kai A. I.

2016-01-01

Herein, we report a novel trifluoromethanesulfonic acid vapor-assisted solid phase synthetic method to construct nanoporous covalent triazine frameworks with highly ordered hollow interconnected pores under mild reaction conditions. This unique solid state synthetic route allows not only the avoidance of undesired side reactions caused by traditional high temperature synthesis, but also the maintaining of defined and precise optical and electronic properties of the nonporous triazine frameworks. Promising photocatalytic activity of the polytriazine networks was demonstrated in the photoreduction reaction of 4-nitrophenol into 4-aminophenol under visible light irradiation.

New approaches to the study of lanthanide/actinide chloride: aluminum chloride vapor phase complexes

International Nuclear Information System (INIS)

Peterson, E.J.; Caird, J.A.; Carnall, W.T.; Hessler, J.P.; Hoekstra, H.R.; Williams, C.W.

1979-01-01

The spectrophotometric technique for vapor density measurements of complexed metal ions has been reformulated to account for temperature dependent effects and multi-species systems. Analysis of vapor pressure information indicates that the NdCl 3 --AlCl 3 and HoCl 3 --AlCl 3 systems are adequately explained by the existence of three vapor species. The two higher molecular weight complexes LnAl 4 Cl 15 and LnAl 3 Cl 12 were first proposed by Oeye and Gruen. The newly identified higher temperature species, HoAl 2 Cl 9 , contributes significantly to the vapor density above 750 0 K and below 3 atm of dimer pressure. In view of the consistency of the Nd +3 and Ho +3 chemistry the data for the Sm +3 system should be viewed with reservation. A new method for vapor density measurements involving use of radioactive tracers has been discussed in terms of its applicability to the study of (Ln,An)Cl 3 (AlCl 3 )/sub x/ systems

Metal-boride phase formation on tungsten carbide (WC-Co) during microwave plasma chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Johnston, Jamin M.; Catledge, Shane A., E-mail: catledge@uab.edu

2016-02-28

Graphical abstract: - Highlights: • A detailed phase analysis after PECVD boriding shows WCoB, CoB and/or W{sub 2}CoB{sub 2}. • EDS of PECVD borides shows boron diffusion into the carbide grain structure. • Nanoindentation hardness and modulus of borides is 23–27 GPa and 600–780 GPa. • Scratch testing shows hard coating with cracking at 40N and spallation at 70N. - Abstract: Strengthening of cemented tungsten carbide by boriding is used to improve the wear resistance and lifetime of carbide tools; however, many conventional boriding techniques render the bulk carbide too brittle for extreme conditions, such as hard rock drilling. This research explored the variation in metal-boride phase formation during the microwave plasma enhanced chemical vapor deposition process at surface temperatures from 700 to 1100 °C. We showed several well-adhered metal-boride surface layers consisting of WCoB, CoB and/or W{sub 2}CoB{sub 2} with average hardness from 23 to 27 GPa and average elastic modulus of 600–730 GPa. The metal-boride interlayer was shown to be an effective diffusion barrier against elemental cobalt; migration of elemental cobalt to the surface of the interlayer was significantly reduced. A combination of glancing angle X-ray diffraction, electron dispersive spectroscopy, nanoindentation and scratch testing was used to evaluate the surface composition and material properties. An evaluation of the material properties shows that plasma enhanced chemical vapor deposited borides formed at substrate temperatures of 800 °C, 850 °C, 900 °C and 1000 °C strengthen the material by increasing the hardness and elastic modulus of cemented tungsten carbide. Additionally, these boride surface layers may offer potential for adhesion of ultra-hard carbon coatings.

Metal-boride phase formation on tungsten carbide (WC-Co) during microwave plasma chemical vapor deposition

International Nuclear Information System (INIS)

Johnston, Jamin M.; Catledge, Shane A.

2016-01-01

Graphical abstract: - Highlights: • A detailed phase analysis after PECVD boriding shows WCoB, CoB and/or W_2CoB_2. • EDS of PECVD borides shows boron diffusion into the carbide grain structure. • Nanoindentation hardness and modulus of borides is 23–27 GPa and 600–780 GPa. • Scratch testing shows hard coating with cracking at 40N and spallation at 70N. - Abstract: Strengthening of cemented tungsten carbide by boriding is used to improve the wear resistance and lifetime of carbide tools; however, many conventional boriding techniques render the bulk carbide too brittle for extreme conditions, such as hard rock drilling. This research explored the variation in metal-boride phase formation during the microwave plasma enhanced chemical vapor deposition process at surface temperatures from 700 to 1100 °C. We showed several well-adhered metal-boride surface layers consisting of WCoB, CoB and/or W_2CoB_2 with average hardness from 23 to 27 GPa and average elastic modulus of 600–730 GPa. The metal-boride interlayer was shown to be an effective diffusion barrier against elemental cobalt; migration of elemental cobalt to the surface of the interlayer was significantly reduced. A combination of glancing angle X-ray diffraction, electron dispersive spectroscopy, nanoindentation and scratch testing was used to evaluate the surface composition and material properties. An evaluation of the material properties shows that plasma enhanced chemical vapor deposited borides formed at substrate temperatures of 800 °C, 850 °C, 900 °C and 1000 °C strengthen the material by increasing the hardness and elastic modulus of cemented tungsten carbide. Additionally, these boride surface layers may offer potential for adhesion of ultra-hard carbon coatings.

Insight into the construction of metal-organic polyhedra: Metal-organic cubes as a case study

KAUST Repository

Al Kordi, Mohamed; Belof, Jonathan L.; Rivera, Edwin R.; Wojtas, Łukasz; Eddaoudi, Mohamed

2011-01-01

Systematic studies were conducted to gain a better understanding of the metal-organic cubes (MOCs) directed assembly and their crystallization under predetermined reaction conditions, i.e. charge and size of metal ions, solvent type, counter anions, pH, and temperature. Four novel metal-organic materials are constructed via solvothermal reactions of different metal ions and 2,2′-(1H-imidazole-4,5-diyl)di-1,4,5,6-tetrahydropyrimidine, namely [Co8(C11N6H15)12]Cl 12·4H2O (1), [Ni4(C11N 6H15)4](NO3)4· 4DMF (2), {Cd(C11N6H15)(NO3) ·DMF}n (3), and [In8(C11N 6H15)12](NO3)12· 4H2O (4). In addition, syntheses and crystal structures for compounds 1(a-f), constructed under deliberately modified reaction conditions of 1, are reported. In compounds 1(a-f), the CoIII-based cationic MOCs crystallize in various packing arrangements in the presence of different counter-ions. Discrete MOCs retain their structural integrity, when crystalline solid was dissolved in water, under various pH (2.03-8.07) and temperatures (298-333 K), as confirmed by solution NMR studies. The assembly of the discrete MOC, from its basic molecular building blocks under mild reaction conditions, is demonstrated and monitored through solution NMR and UV-vis studies. © The Royal Society of Chemistry 2011.

Dubinin-Astakhov model for acetylene adsorption on metal-organic frameworks

International Nuclear Information System (INIS)

Cheng, Peifu; Hu, Yun Hang

2016-01-01

Graphical abstract: It was demonstrated that Dubinin-Astakhov equation can be exploited as a general isotherm model for C2H2 adsorption on metal-organic frameworks (MOFs), including MOF-5, ZIF-8, HKUST-1, and MIL-53. - Highlights: • Dubinin-Astakhov equation is demonstrated to be a general model for C_2H_2 adsorption on metal-organic frameworks (MOFs). • Surface areas obtained with Dubinin-Astakhov equation from C_2H_2 adsorption on MOFs are consistent with BET surface areas from N_2 adsorption. • C_2H_2 on MOF-5, ZIF-8, and MIL-53 is a physical adsorption, whereas its adsorption on HKUST-1 is due to a chemical bonding. - Abstract: Acetylene (C_2H_2) is explosive at a pressure above 29 psi, causing a safety issue for its storage and applications. C_2H_2 adsorption on metal-organic frameworks (MOFs) has been explored to solve the issue. However, a suitable isotherm equation for C_2H_2 adsorption on various MOFs has not been found. In this paper, it was demonstrated that Dubinin-Astakhov equation can be exploited as a general isotherm model to depict C_2H_2 adsorption on MOF-5, ZIF-8, HKUST-1, and MIL-53. In contrast, commonly used Langmuir and BET models exhibited their inapplicability for C_2H_2 adsorption on those MOFs.

Microscale interfacial behavior at vapor film collapse on high-temperature particle surface

International Nuclear Information System (INIS)

Abe, Yutaka; Tochio, Daisuke

2009-01-01

It has been pointed out that vapor film on a premixed high-temperature droplet surface should be collapsed to trigger vapor explosion. Thus, it is important to clarify the micromechanism of vapor film collapse behavior for the occurrence of vapor explosion. In the present study, microscale vapor-liquid interface behavior upon vapor film collapse caused by an external pressure pulse is experimentally observed and qualitatively analyzed. In the analytical investigation, interfacial temperature and interface movement were estimated with heat conduction analysis and visual data processing technique. Results show that condensation can possibly occur at the vapor-liquid interface when the pressure pulse arrived. That is, this result indicates that the vapor film collapse behavior is dominated not by fluid motion but by phase change. (author)

Achievement report for fiscal 1991 on Sunshine Program-entrusted research and development. Research and development of high-efficiency solar cells (Research on forbidden band width optimization); 1991 nendo kokoritsu taiyo denchi no kenkyu kaihatsu seika hokokusho. Kinsei taifuku no saitekika no kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1992-03-01

Research is conducted on film formation technologies etc. for the chalcopyritic compound semiconductors represented by CuInSe{sub 2} which is the most excellent of the materials for thin-film solar cells. As for the development of a encapsulated selenization method, research is conducted on an In formation method, temperature program for heat treatment, and Cu-In alloy film selenization, and then a CuInSe{sub 2} film less to suffer phase separation is obtained. In the development of a vaporized selenization method, the reactor tube and the temperature program are improved, and this results in a CuInSe{sub 2} film excellent in homogeneity. As for the evaluation of CuInSe{sub 2} film, photoluminescence is measured using a solid-phase selenized film, vapor-phase selenized film, and 3-source vapor-deposited film, and the result shows that photoluminescence-assisted CuInSe{sub 2} film evaluation is quite promising. In the development of ZnO film formation technologies, the MOCVD (metalorganic chemical vapor deposition) technology is almost complete, and film formation on a 10cm-square substrate is now practical. (NEDO)

Growth and properties of InAs/In.sub.x./sub.Ga.sub.1-x./sub.As/GaAs quantum dot structures

Czech Academy of Sciences Publication Activity Database

Hulicius, Eduard; Oswald, Jiří; Pangrác, Jiří; Vyskočil, Jan; Hospodková, Alice; Kuldová, Karla; Melichar, Karel; Šimeček, Tomislav

2008-01-01

Roč. 310, 7-9 (2008), s. 2229-2233 ISSN 0022-0248 R&D Projects: GA AV ČR KJB101630601; GA AV ČR IAA100100719; GA ČR GA202/06/0718; GA ČR GA202/05/0242 Institutional research plan: CEZ:AV0Z10100521 Keywords : nanostructures * metalorganic vapor-phase epitaxy * semiconducting III–V materials Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.757, year: 2008

The effect of fuel and chlorinated hydrocarbons on a vapor phase carbon adsorption system

International Nuclear Information System (INIS)

Crawford, W.J.; Cheney, J.L.; Taggart, D.B.

1995-01-01

A soil vapor extraction (SVE) system installed at the South Tacoma Well 12A Superfund Site was designed to recover 1,2-dichloroethylene (DCE), trichloroethylene (TCE), tetrachloroethylene (PCE), and 1,1,2,2-tetrachloroethane (1,1,2,2-TCA) from the vadose zone. The basic system consisted of twenty-two extraction wells, three centrifugal blowers, and three carbon adsorbers. The carbon adsorbers were regenerated on site by steam stripping. The mixture of steam and stripped organics was condensed and then decanted to separate the water from the organic phase. The recovered water was air stripped to remove the dissolved organics prior to discharge to the city storm sewer. The recovered organic phase was then shipped off site for thermal destruction. Previous reports described operating difficulties with the decanter, and air strippers. Sampling and analyses were performed which identified the problem as the simultaneous recovery of unexpected fuel hydrocarbons in addition to the solvents. Recovery of fuels resulted in a light phase in the decanter in addition to the water and heavy solvent phases. This required redesign of the decanter to handle the third phase. The effectiveness of desorption of the carbon beds by steam stripping gradually decreased as the remediation progressed into the second year of operation. Samples were collected from the carbon beds to evaluate the effect of the fuel and chlorinated hydrocarbons on the activated carbon. This report describes the results of these analyses. The data indicated that both 1,1,2,2-TCA and fuel hydrocarbons in the C-9 to C-24 range remained in the carbon beds after steam regeneration in sufficient quantities to require replacing the carbon

Thermal plasma chemical vapor deposition

International Nuclear Information System (INIS)

Heberlein, J.; Pfender, E.

1993-01-01

Thermal plasmas, with temperatures up to and even exceeding 10 4 K, are capable of producing high density vapor phase precursors for the deposition of relatively thick films. Although this technology is still in its infancy, it will fill the void between the relatively slow deposition processes such as physical vapor deposition and the high rate thermal spray deposition processes. In this chapter, the present state-of-the-art of this field is reviewed with emphasis on the various types of reactors proposed for this emerging technology. Only applications which attracted particular attention, namely diamond and high T c superconducting film deposition, are discussed in greater detail. (orig.)

Vapor phase coatings of metals and organics for laser fusion target applications

International Nuclear Information System (INIS)

Simonsic, G.A.; Powell, B.W.

Techniques for applying a variety of metal and organic coatings to 50- to 500 μm diameter glass micro-balloons are discussed. Coating thicknesses vary from 1- to 10 μm. Physical vapor deposition (PVD), chemical vapor deposition (CVD), and electrolytic and electroless plating are some of the techniques being evaluated for metal deposition. PVD and glow discharge polymerization are being used for the application of organic coatings. (U.S.)

Simple-design ultra-low phase noise microwave frequency synthesizers for high-performing Cs and Rb vapor-cell atomic clocks

Energy Technology Data Exchange (ETDEWEB)

François, B. [FEMTO-ST, CNRS, Université de Franche-Comté, 26 chemin de l’Epitaphe, 25030 Besançon (France); INRIM, Strada delle Cacce 91, 10135 Torino (Italy); Calosso, C. E.; Micalizio, S. [INRIM, Strada delle Cacce 91, 10135 Torino (Italy); Abdel Hafiz, M.; Boudot, R. [FEMTO-ST, CNRS, Université de Franche-Comté, 26 chemin de l’Epitaphe, 25030 Besançon (France)

2015-09-15

We report on the development and characterization of novel 4.596 GHz and 6.834 GHz microwave frequency synthesizers devoted to be used as local oscillators in high-performance Cs and Rb vapor-cell atomic clocks. The key element of the synthesizers is a custom module that integrates a high spectral purity 100 MHz oven controlled quartz crystal oscillator frequency-multiplied to 1.6 GHz with minor excess noise. Frequency multiplication, division, and mixing stages are then implemented to generate the exact output atomic resonance frequencies. Absolute phase noise performances of the output 4.596 GHz signal are measured to be −109 and −141 dB rad{sup 2}/Hz at 100 Hz and 10 kHz Fourier frequencies, respectively. The phase noise of the 6.834 GHz signal is −105 and −138 dB rad{sup 2}/Hz at 100 Hz and 10 kHz offset frequencies, respectively. The performances of the synthesis chains contribute to the atomic clock short term fractional frequency stability at a level of 3.1 × 10{sup −14} for the Cs cell clock and 2 × 10{sup −14} for the Rb clock at 1 s averaging time. This value is comparable with the clock shot noise limit. We describe the residual phase noise measurements of key components and stages to identify the main limitations of the synthesis chains. The residual frequency stability of synthesis chains is measured to be at the 10{sup −15} level for 1 s integration time. Relevant advantages of the synthesis design, using only commercially available components, are to combine excellent phase noise performances, simple-architecture, low-cost, and to be easily customized for signal output generation at 4.596 GHz or 6.834 GHz for applications to Cs or Rb vapor-cell frequency standards.

Long-term stable water vapor permeation barrier properties of SiN/SiCN/SiN nanolaminated multilayers grown by plasma-enhanced chemical vapor deposition at extremely low pressures

International Nuclear Information System (INIS)

Choi, Bum Ho; Lee, Jong Ho

2014-01-01

We investigated the water vapor permeation barrier properties of 30-nm-thick SiN/SiCN/SiN nanolaminated multilayer structures grown by plasma enhanced chemical vapor deposition at 7 mTorr. The derived water vapor transmission rate was 1.12 × 10 −6 g/(m 2 day) at 85 °C and 85% relative humidity, and this value was maintained up to 15 000 h of aging time. The X-ray diffraction patterns revealed that the nanolaminated film was composed of an amorphous phase. A mixed phase was observed upon performing high resolution transmission electron microscope analysis, which indicated that a thermodynamically stable structure was formed. It was revealed amorphous SiN/SiCN/SiN multilayer structures that are free from intermixed interface defects effectively block water vapor permeation into active layer

Nano-architecture of metal-organic frameworks

Science.gov (United States)

Milichko, Valentin A.; Zalogina, Anastasiia; Mingabudinova, Leila R.; Vinogradov, Alexander V.; Ubyivovk, Evgeniy; Krasilin, Andrei A.; Mukhin, Ivan; Zuev, Dmitry A.; Makarov, Sergey V.; Pidko, Evgeny A.

2017-09-01

Change the shape and size of materials supports new functionalities never found in the sources. This strategy has been recently applied for porous crystalline materials - metal-organic frameworks (MOFs) to create hollow nanoscale structures or mesostructures with improved functional properties. However, such structures are characterized by amorphous state or polycrystallinity which limits their applicability. Here we follow this strategy to create such nano- and mesostructures with perfect crystallinity and new photonics functionalities by laser or focused ion beam fabrication.

Evaluation of corrosivity of the vapor-phase environments to sterilized water with chlorine; Enso kei mekkin shorisui no kisho kankyo no fushokusei

Energy Technology Data Exchange (ETDEWEB)

Nakata, Michio. [Nippon Steel Corp. Yamaguchi (Japan). Technical Development Bureau

1999-08-15

Corrosivity of vapor-phase aenvironments in indoor pool, water thank, and water purification plants was investigated. Sodium hypochlorite (NaClO) was used as a sterilizing agent in indoor pool, while chlorine gas was used in water tank and water purification plants. It was found that Cl{sup -} ion were concentrated in the dew formed in the indoor pool. H{sup +} ions as well as Cl{sup -} ions were accumulated in the dew dormed in the water tank ans water purification plants. Thus, the corrosion condition was varied with the type of sterilizing agents used. Through the investigation of water tanl, the relationship between pH and Cl{sup -} ion concentration was given as follow; pH=-1.09-2.19 log [Cl{sup -}] (mol/L). Corrosivity of vapor-phase enviroments in sterilizing water systems would be characterized by the exstence of oxidizing chemical agents such as ClO{sup -} and HClO, the shift of corrosion potenrial of the thin water film, and the accumulation of H{sup +} and/or Cl{sup -} ions in the dew. (author)

(abstract) Experimental and Modeling Studies of the Exchange Current at the Alkali Beta'-Alumina/Porous Electrode/Alkali Metal Vapor Three Phase Boundary

Science.gov (United States)

Williams, R. M.; Jeffries-Nakamura, B.; Ryan, M. A.; Underwood, M. L.; O'Connor, D.; Kikkert, S.

1993-01-01

The microscopic mechanism of the alkali ion-electron recombination reaction at the three phase boundary zone formed by a porous metal electrode in the alkali vapor on the surface of an alkali beta'-alumina solid electrolyte (BASE) ceramic has been studied by comparison of the expected rates for the three simplest reaction mechanisms with known temperature dependent rate data; and the physical parameters of typical porous metal electrode/BASE/alkali metal vapor reaction zones. The three simplest reactions are tunneling of electrons from the alkali coated electrode to a surface bound alkali metal ion; emission of an electron from the electrode with subsequent capture by a surface bound alkali metal ion; and thermal emission of an alkali cation from the BASE and its capture on the porous metal electrode surface where it may recombine with an electron. Only the first reaction adequately accounts for both the high observed rate and its temperature dependence. New results include crude modeling of simple, one step, three phase, solid/solid/gas electrochemical reaction.

CO2/H2O adsorption equilibrium and rates on metal-organic frameworks: HKUST-1 and Ni/DOBDC.

Science.gov (United States)

Liu, Jian; Wang, Yu; Benin, Annabelle I; Jakubczak, Paulina; Willis, Richard R; LeVan, M Douglas

2010-09-07

Metal-organic frameworks (MOFs) have recently attracted intense research interest because of their permanent porous structures, huge surface areas, and potential applications as novel adsorbents and catalysts. In order to provide a basis for consideration of MOFs for removal of carbon dioxide from gases containing water vapor, such as flue gas, we have studied adsorption equilibrium of CO(2), H(2)O vapor, and their mixtures and also rates of CO(2) adsorption in two MOFs: HKUST-1 (CuBTC) and Ni/DOBDC (CPO-27-Ni or Ni/MOF-74). The MOFs were synthesized via solvothermal methods, and the as-synthesized products were solvent exchanged and regenerated before experiments. Pure component adsorption equilibria and CO(2)/H(2)O binary adsorption equilibria were studied using a volumetric system. The effects of H(2)O adsorption on CO(2) adsorption for both MOF samples were determined, and the results for 5A and NaX zeolites were included for comparison. The hydrothermal stabilities for the two MOFs over the course of repetitive measurements of H(2)O and CO(2)/H(2)O mixture equilibria were also studied. CO(2) adsorption rates from helium for the MOF samples were investigated by using a unique concentration-swing frequency response (CSFR) system. Mass transfer into the MOFs is rapid with the controlling resistance found to be macropore diffusion, and rate parameters were established for the mechanism.

Chemically assisted release of transition metals in graphite vaporizers for atomic spectrometry

International Nuclear Information System (INIS)

Katskov, Dmitri; Darangwa, Nicholas; Grotti, Marco

2006-01-01

The processes associated with the vaporization of microgram samples and modifiers in a graphite tube ET AAS were investigated by the example of transition metals. The vapor absorption spectra and vaporization behavior of μg-amounts Cd, Zn, Cu, Ag, Au, Ni, Co, Fe, Mn and Cr were studied using the UV spectrometer with CCD detector, coupled with a continuum radiation source. The pyrocoated, Ta or W lined tubes, with Ar or He as internal gases, and filter furnace were employed in the comparative experiments. It was found that the kinetics of atomic vapor release changed depending on the specific metal-substrate-gas combination; fast vaporization at the beginning was followed by slower 'tailing.' The absorption continuum, overlapped by black body radiation at longer wavelengths, accompanied the fast vaporization mode for all metals, except Cd and Zn. The highest intensity of the continuum was observed in the pyrocoated tube with Ar. For Cu and Ag the molecular bands overlapped the absorption continuum; the continuum and bands were suppressed in the filter furnace. It is concluded that the exothermal interaction of sample vapor with the material of the tube causes the energy evolution in the gas phase. The emitted heat is dispersed near the tube wall in the protective gas and partially transferred back to the surface of the sample, thus facilitating the vaporization. The increased vapor flow causes over-saturation and gas-phase condensation in the absorption volume at some distance from the wall, where the gas temperature is not affected by the reaction. The condensation is accompanied by the release of phase transition energy via black body radiation and atomic emission. The particles of condensate and molecular clusters cause the scattering of light and molecular absorption; slow decomposition of the products of the sample vapor-substrate reaction produces the 'tailing' of atomic absorption signal. The interaction of graphite with metal vapor or oxygen, formed in the

Metal organic vapor phase epitaxy growth of (Al)GaN heterostructures on SiC/Si(111) templates synthesized by topochemical method of atoms substitution

DEFF Research Database (Denmark)

Rozhavskaya, Mariia M.; Kukushkin, Sergey A.; Osipov, Andrey V.

2017-01-01

We report a novel approach for metal organic vapor phase epitaxy of (Al)GaN heterostructures on Si substrates. An approximately 90–100 nm thick SiC buffer layer is synthesized using the reaction between Si substrate and CO gas. Highresolution transmission electron microscopy reveals sharp...

Dubinin-Astakhov model for acetylene adsorption on metal-organic frameworks

Energy Technology Data Exchange (ETDEWEB)

Cheng, Peifu; Hu, Yun Hang, E-mail: yunhangh@mtu.edu

2016-07-30

Graphical abstract: It was demonstrated that Dubinin-Astakhov equation can be exploited as a general isotherm model for C2H2 adsorption on metal-organic frameworks (MOFs), including MOF-5, ZIF-8, HKUST-1, and MIL-53. - Highlights: • Dubinin-Astakhov equation is demonstrated to be a general model for C{sub 2}H{sub 2} adsorption on metal-organic frameworks (MOFs). • Surface areas obtained with Dubinin-Astakhov equation from C{sub 2}H{sub 2} adsorption on MOFs are consistent with BET surface areas from N{sub 2} adsorption. • C{sub 2}H{sub 2} on MOF-5, ZIF-8, and MIL-53 is a physical adsorption, whereas its adsorption on HKUST-1 is due to a chemical bonding. - Abstract: Acetylene (C{sub 2}H{sub 2}) is explosive at a pressure above 29 psi, causing a safety issue for its storage and applications. C{sub 2}H{sub 2} adsorption on metal-organic frameworks (MOFs) has been explored to solve the issue. However, a suitable isotherm equation for C{sub 2}H{sub 2} adsorption on various MOFs has not been found. In this paper, it was demonstrated that Dubinin-Astakhov equation can be exploited as a general isotherm model to depict C{sub 2}H{sub 2} adsorption on MOF-5, ZIF-8, HKUST-1, and MIL-53. In contrast, commonly used Langmuir and BET models exhibited their inapplicability for C{sub 2}H{sub 2} adsorption on those MOFs.

Vapor pressures and enthalpies of vaporization of azides

International Nuclear Information System (INIS)

Verevkin, Sergey P.; Emel'yanenko, Vladimir N.; Algarra, Manuel; Manuel Lopez-Romero, J.; Aguiar, Fabio; Enrique Rodriguez-Borges, J.; Esteves da Silva, Joaquim C.G.

2011-01-01

Highlights: → We prepared and measured vapor pressures and vaporization enthalpies of 7 azides. → We examined consistency of new and available in the literature data. → Data for geminal azides and azido-alkanes selected for thermochemical calculations. - Abstract: Vapor pressures of some azides have been determined by the transpiration method. The molar enthalpies of vaporization Δ l g H m of these compounds were derived from the temperature dependencies of vapor pressures. The measured data sets were successfully checked for internal consistency by comparison with vaporization enthalpies of similarly structured compounds.

Metal-organic frameworks: structure, properties, methods of synthesis and characterization

International Nuclear Information System (INIS)

Butova, V V; Soldatov, M A; Guda, A A; Lomachenko, K A; Lamberti, C

2016-01-01

This review deals with key methods of synthesis and characterization of metal-organic frameworks (MOFs). The modular structure affords a wide variety of MOFs with different active metal sites and organic linkers. These compounds represent a new stage of development of porous materials in which the pore size and the active site structure can be modified within wide limits. The set of experimental methods considered in this review is sufficient for studying the short-range and long-range order of the MOF crystal structure, determining the morphology of samples and elucidating the processes that occur at the active metal site in the course of chemical reactions. The interest in metal-organic frameworks results, first of all, from their numerous possible applications, ranging from gas separation and storage to chemical reactions within the pores. The bibliography includes 362 references

Vaporization of niobium dioxide by mass-effusion and mass-spectrometric methods

International Nuclear Information System (INIS)

Kamegashira, N.; Matsui, T.; Harada, M.; Naito, K.

1981-01-01

The congruence of the vaporization process of NbO, NbO 2 , Nb 12 O 29 and Nb 2 O 5 in the niobium-oxygen system was investigated from the phase change of the solid residue after vaporization, and it was observed that only the NbO 2 phase vaporizes congruently. The vapor pressures over NbO 2 (s) were measured by means of a combination of mass-effusion (weight loss measurement) and mass-spectrometric methods in the temperature range 1953-2323 K. By applying the second and the third law treatments of thermodynamics to the partial pressures of the gaseous species NbO 2 (g), NbO(g) and O(g), the enthalpies of vaporization for the reactions NbO 2 (s,1)=NbO 2 (g) and NbO 2 (s,1)=NbO(g)+O(g), were calculated. From these data the enthalpies of formation and the dissociation energies of NbO 2 (g) and NbO(g) were also determined. The uncertainties included in the third law treatment were discussed, and the results calculated by the third law treatment using the most reliable data available at present were presented. (orig.)

Computation of Phase Equilibrium and Phase Envelopes

DEFF Research Database (Denmark)

Ritschel, Tobias Kasper Skovborg; Jørgensen, John Bagterp

formulate the involved equations in terms of the fugacity coefficients. We present expressions for the first-order derivatives. Such derivatives are necessary in computationally efficient gradient-based methods for solving the vapor-liquid equilibrium equations and for computing phase envelopes. Finally, we......In this technical report, we describe the computation of phase equilibrium and phase envelopes based on expressions for the fugacity coefficients. We derive those expressions from the residual Gibbs energy. We consider 1) ideal gases and liquids modeled with correlations from the DIPPR database...... and 2) nonideal gases and liquids modeled with cubic equations of state. Next, we derive the equilibrium conditions for an isothermal-isobaric (constant temperature, constant pressure) vapor-liquid equilibrium process (PT flash), and we present a method for the computation of phase envelopes. We...

In-well vapor stripping drilling and characterization work plan

International Nuclear Information System (INIS)

Koegler, K.J.

1994-01-01

This work plan provides the information necessary for drilling, sampling, and hydrologic testing of wells to be completed in support of a demonstration of the in-well vapor stripping system. The in-well vapor stripping system is a remediation technology designed to preferentially extract volatile organic compounds (VOCs) from contaminated groundwater by converting them to a vapor phase. Air-lift pumping is used to lift and aerate groundwater within the well. The volatiles escaping the aerated water are drawn off by a slight vacuum and treated at the surface while the water is allowed to infiltrate the vadose zone back to the watertable

Metallic 1T phase source/drain electrodes for field effect transistors from chemical vapor deposited MoS{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Kappera, Rajesh; Voiry, Damien; Jen, Wesley; Acerce, Muharrem; Torrel, Sol; Chhowalla, Manish, E-mail: manish1@rci.rutgers.edu [Materials Science and Engineering, Rutgers University, 607 Taylor Road, Piscataway, New Jersey 08854 (United States); Yalcin, Sibel Ebru; Branch, Brittany; Gupta, Gautam; Mohite, Aditya D. [MPA-11 Materials Synthesis and Integrated Devices, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Lei, Sidong; Chen, Weibing; Najmaei, Sina; Lou, Jun; Ajayan, Pulickel M. [Mechanical Engineering and Materials Science Department, Rice University, Houston, Texas 77005 (United States)

2014-09-01

Two dimensional transition metal dichalcogenides (2D TMDs) offer promise as opto-electronic materials due to their direct band gap and reasonably good mobility values. However, most metals form high resistance contacts on semiconducting TMDs such as MoS{sub 2}. The large contact resistance limits the performance of devices. Unlike bulk materials, low contact resistance cannot be stably achieved in 2D materials by doping. Here we build on our previous work in which we demonstrated that it is possible to achieve low contact resistance electrodes by phase transformation. We show that similar to the previously demonstrated mechanically exfoliated samples, it is possible to decrease the contact resistance and enhance the FET performance by locally inducing and patterning the metallic 1T phase of MoS{sub 2} on chemically vapor deposited material. The device properties are substantially improved with 1T phase source/drain electrodes.

Vapor phase reactions in polymerization plasma for divinylsiloxane-bis-benzocyclobutene film deposition

International Nuclear Information System (INIS)

Kinoshita, Keizo; Nakano, Akinori; Kawahara, Jun; Kunimi, Nobutaka; Hayashi, Yoshihiro; Kiso, Osamu; Saito, Naoaki; Nakamura, Keiji; Kikkawa, Takamaro

2006-01-01

Vapor phase reactions in plasma polymerization of divinylsiloxane-bis-benzocyclobutene (DVS-BCB) low-k film depositions on 300 mm wafers were studied using mass spectrometry, in situ Fourier transform infrared, and a surface wave probe. Polymerization via Diels-Alder cycloaddition reaction was identified by the detection of the benzocyclohexene group. Hydrogen addition and methyl group desorption were also detected in DVS-BCB monomer and related large molecules. The dielectric constant k of plasma polymerized DVS-BCB with a plasma source power range up to 250 W was close to ∼2.7 of thermally polymerized DVS-BCB, and increased gradually over 250 W. The electron density at 250 W was about 1.5x10 10 cm -3 . The increase of the k value at higher power was explained by the decrease of both large molecular species via multistep dissociation and incorporation of silica components into the polymer. It was found that the reduction of electron density as well as precursor residence time is important for the plasma polymerization process to prevent the excess dissociation of the precursor

Hybrid Glasses from Strong and Fragile Metal-Organic Framework Liquids

DEFF Research Database (Denmark)

Bennett, T.D.; Tan, J.C.; Yue, Yuanzheng

2015-01-01

Hybrid glasses connect the emerging field of metal-organic frameworks (MOFs) with the glass formation, amorphization and melting processes of these chemically versatile systems. Though inorganic zeolites collapse around the glass transition and melt at higher temperatures, the relationship betwee...

Separation of polar compounds using a flexible metal-organic framework

NARCIS (Netherlands)

Motkuri, R.K.; Thallapally, P.K.; Annapureddy, H.V.R.; Dang, L.X.; Krishna, R.; Nune, S.K.; Fernandez, C.A.; Liu, J.; McGrail, B.P.

2015-01-01

A flexible metal-organic framework constructed from a flexible linker is shown to possess the capability of separating mixtures of polar compounds (propanol isomers) by exploiting the differences in the saturation capacities of the constituents. Transient breakthrough simulations show that these

Synthesis of highly dispersed platinum particles on carbon nanotubes by an in situ vapor-phase method

International Nuclear Information System (INIS)

Mercado-Zúñiga, C.; Vargas-García, J.R.; Hernández-Pérez, M.A.; Figueroa-Torres, M.Z.; Cervantes-Sodi, F.; Torres-Martínez, L.M.

2014-01-01

Highlights: • Highly dispersed Pt nanoparticles were prepared on functionalized carbon nanotubes. • A simple and competitive vapor-phase method was employed. • Carbonyl groups were assumed to be responsible for assisted decomposition of Pt-acac. • Pt particles were highly dispersed because carbonyl groups served as reaction sites. • Particles of 2.3 nm in size were highly dispersed even the high loading (27 wt%Pt). - Abstract: Highly dispersed Pt nanoparticles were prepared on functionalized multi-walled carbon nanotubes (f-MWCNTs) using a simple in situ vapor-phase method. The method consisted in two-step procedure in which an initial mixture of Pt precursor (Pt-acac) and f-MWCNTs was heated in a quartz tube reactor, first at 180 °C and then at 400 °C. Fourier transform infrared spectroscopy (FTIR–ATR), thermal gravimetric analysis (TGA) and X-ray diffraction (XRD) were used to follow the chemical and structural transformations of mixture components during heating steps. The functionalization of MWCNTs with HNO 3 /H 2 SO 4 solution resulted in formation of surface carbonyl groups. The FTIR–ATR and XRD results indicated that individual Pt-acac withstood heating at 180 °C, whereas it was dissociated when heated in contact with f-MWCNTs at the same temperature. Thus, the functional carbonyl groups were found to be responsible for assisted decomposition of Pt-acac at 180 °C. Since carbonyl groups served as reaction sites for decomposition of Pt-acac, the resulting particles were highly and homogeneously dispersed on the surface of MWCNTs even the relatively high metallic loading of 27 wt%. TEM observations revealed that crystalline Pt particles exhibit narrow size distribution with a mean size of 2.3 nm

Synthesis of highly dispersed platinum particles on carbon nanotubes by an in situ vapor-phase method

Energy Technology Data Exchange (ETDEWEB)

Mercado-Zúñiga, C. [Depto. Ing. Metalurgia y Materiales, Instituto Politecnico Nacional, Mexico 07300 D.F. (Mexico); Vargas-García, J.R., E-mail: rvargasga@ipn.mx [Depto. Ing. Metalurgia y Materiales, Instituto Politecnico Nacional, Mexico 07300 D.F. (Mexico); Hernández-Pérez, M.A. [Depto. Ing. Metalurgia y Materiales, Instituto Politecnico Nacional, Mexico 07300 D.F. (Mexico); Figueroa-Torres, M.Z. [Depto. Eco-Materiales y Energia, Univ. Autonoma de Nuevo Leon, Nuevo Leon 66450 (Mexico); Cervantes-Sodi, F. [Depto. Fisica y Matematicas, Univ. Iberoamericana, Mexico 01209 D.F. (Mexico); Torres-Martínez, L.M. [Depto. Eco-Materiales y Energia, Univ. Autonoma de Nuevo Leon, Nuevo Leon 66450 (Mexico)

2014-12-05

Highlights: • Highly dispersed Pt nanoparticles were prepared on functionalized carbon nanotubes. • A simple and competitive vapor-phase method was employed. • Carbonyl groups were assumed to be responsible for assisted decomposition of Pt-acac. • Pt particles were highly dispersed because carbonyl groups served as reaction sites. • Particles of 2.3 nm in size were highly dispersed even the high loading (27 wt%Pt). - Abstract: Highly dispersed Pt nanoparticles were prepared on functionalized multi-walled carbon nanotubes (f-MWCNTs) using a simple in situ vapor-phase method. The method consisted in two-step procedure in which an initial mixture of Pt precursor (Pt-acac) and f-MWCNTs was heated in a quartz tube reactor, first at 180 °C and then at 400 °C. Fourier transform infrared spectroscopy (FTIR–ATR), thermal gravimetric analysis (TGA) and X-ray diffraction (XRD) were used to follow the chemical and structural transformations of mixture components during heating steps. The functionalization of MWCNTs with HNO{sub 3}/H{sub 2}SO{sub 4} solution resulted in formation of surface carbonyl groups. The FTIR–ATR and XRD results indicated that individual Pt-acac withstood heating at 180 °C, whereas it was dissociated when heated in contact with f-MWCNTs at the same temperature. Thus, the functional carbonyl groups were found to be responsible for assisted decomposition of Pt-acac at 180 °C. Since carbonyl groups served as reaction sites for decomposition of Pt-acac, the resulting particles were highly and homogeneously dispersed on the surface of MWCNTs even the relatively high metallic loading of 27 wt%. TEM observations revealed that crystalline Pt particles exhibit narrow size distribution with a mean size of 2.3 nm.

Indium tin oxide thin-films prepared by vapor phase pyrolysis for efficient silicon based solar cells

Energy Technology Data Exchange (ETDEWEB)

Simashkevich, Alexei, E-mail: alexeisimashkevich@hotmail.com [Institute of Applied Physics, 5 Academiei str., Chisinau, MD-2028, Republic of Moldova (Moldova, Republic of); Serban, Dormidont; Bruc, Leonid; Curmei, Nicolai [Institute of Applied Physics, 5 Academiei str., Chisinau, MD-2028, Republic of Moldova (Moldova, Republic of); Hinrichs, Volker [Institut für Heterogene Materialsysteme, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Lise-Meitner Campus, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Rusu, Marin [Institute of Applied Physics, 5 Academiei str., Chisinau, MD-2028, Republic of Moldova (Moldova, Republic of); Institut für Heterogene Materialsysteme, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Lise-Meitner Campus, Hahn-Meitner-Platz 1, 14109 Berlin (Germany)

2016-07-01

The vapor phase pyrolysis deposition method was developed for the preparation of indium tin oxide (ITO) thin films with thicknesses ranging between 300 and 400 nm with the sheet resistance of 10–15 Ω/sq. and the transparency in the visible region of the spectrum over 80%. The layers were deposited on the (100) surface of the n-type silicon wafers with the charge carriers concentration of ~ 10{sup 15} cm{sup −3}. The morphology of the ITO layers deposited on Si wafers with different surface morphologies, e.g., smooth (polished), rough (irregularly structured) and textured (by inversed pyramids) was investigated. The as-deposited ITO thin films consist of crystalline columns with the height of 300–400 nm and the width of 50–100 nm. Photovoltaic parameters of mono- and bifacial solar cells of Cu/ITO/SiO{sub 2}/n–n{sup +} Si/Cu prepared on Si (100) wafers with different surface structures were studied and compared. A maximum efficiency of 15.8% was achieved on monofacial solar cell devices with the textured Si surface. Bifacial photovoltaic devices from 100 μm thick Si wafers with the smooth surface have demonstrated efficiencies of 13.0% at frontal illumination and 10% at rear illumination. - Highlights: • ITO thin films prepared by vapor phase pyrolysis on Si (100) wafers with a smooth (polished), rough (irregularly structured) and textured (by inversed pyramids) surface. • Monofacial ITO/SiO2/n-n+Si solar cells with an efficiency of 15.8% prepared and bifacial PV devices with front- and rear-side efficiencies up to 13% demonstrated. • Comparative studies of photovoltaic properties of solar cells with different morphologies of the Si wafer surface presented.

Predicting the enthalpies of melting and vaporization for pure components

Science.gov (United States)

Esina, Z. N.; Korchuganova, M. R.

2014-12-01

A mathematical model of the melting and vaporization enthalpies of organic components based on the theory of thermodynamic similarity is proposed. In this empirical model, the phase transition enthalpy for the homological series of n-alkanes, carboxylic acids, n-alcohols, glycols, and glycol ethers is presented as a function of the molecular mass, the number of carbon atoms in a molecule, and the normal transition temperature. The model also uses a critical or triple point temperature. It is shown that the results from predicting the melting and vaporization enthalpies enable the calculation of binary phase diagrams.

High-quality uniaxial In(x)Ga(1-x)N/GaN multiple quantum well (MQW) nanowires (NWs) on Si(111) grown by metal-organic chemical vapor deposition (MOCVD) and light-emitting diode (LED) fabrication.

Science.gov (United States)

Ra, Yong-Ho; Navamathavan, R; Park, Ji-Hyeon; Lee, Cheul-Ro

2013-03-01

This article describes the growth and device characteristics of vertically aligned high-quality uniaxial p-GaN/InxGa1-xN/GaN multiple quantum wells (MQW)/n-GaN nanowires (NWs) on Si(111) substrates grown by metal-organic chemical vapor deposition (MOCVD) technique. The resultant nanowires (NWs), with a diameter of 200-250 nm, have an average length of 2 μm. The feasibility of growing high-quality NWs with well-controlled indium composition MQW structure is demonstrated. These resultant NWs grown on Si(111) substrates were utilized for fabricating vertical-type light-emitting diodes (LEDs). The steep and intense photoluminescence (PL) and cathodoluminescence (CL) spectra are observed, based on the strain-free NWs on Si(111) substrates. High-resolution transmission electron microscopy (HR-TEM) analysis revealed that the MQW NWs are grown along the c-plane with uniform thickness. The current-voltage (I-V) characteristics of these NWs exhibited typical p-n junction LEDs and showed a sharp onset voltage at 2.75 V in the forward bias. The output power is linearly increased with increasing current. The result indicates that the pulsed MOCVD technique is an effective method to grow uniaxial p-GaN/InxGa1-xN/GaN MQW/n-GaN NWs on Si(111), which is more advantageous than other growth techniques, such as molecular beam epitaxy. These results suggest the uniaxial NWs are promising to allow flat-band quantum structures, which can enhance the efficiency of LEDs.

A low phase noise microwave frequency synthesis for a high-performance cesium vapor cell atomic clock

Energy Technology Data Exchange (ETDEWEB)

François, B.; Boudot, R. [FEMTO-ST, CNRS, Université de Franche-Comté, 26 chemin de l' Epitaphe, 25030 Besançon (France); Calosso, C. E. [INRIM, Strada delle Cacce 91, 10135 Torino (Italy); Danet, J. M. [LNE-SYRTE, Observatoire de Paris, CNRS-UPMC, 61 avenue de l' Observatoire, 75014 Paris (France)

2014-09-15

We report the development, absolute phase noise, and residual phase noise characterization of a 9.192 GHz microwave frequency synthesis chain devoted to be used as a local oscillator in a high-performance cesium vapor cell atomic clock based on coherent population trapping (CPT). It is based on frequency multiplication of an ultra-low phase noise 100 MHz oven-controlled quartz crystal oscillator using a nonlinear transmission line-based chain. Absolute phase noise performances of the 9.192 GHz output signal are measured to be −42, −100, −117 dB rad{sup 2}/Hz and −129 dB rad{sup 2}/Hz at 1 Hz, 100 Hz, 1 kHz, and 10 kHz offset frequencies, respectively. Compared to current results obtained in a state-of-the-art CPT-based frequency standard developed at LNE-SYRTE, this represents an improvement of 8 dB and 10 dB at f = 166 Hz and f = 10 kHz, respectively. With such performances, the expected Dick effect contribution to the atomic clock short term frequency stability is reported at a level of 6.2 × 10{sup −14} at 1 s integration time, that is a factor 3 higher than the atomic clock shot noise limit. Main limitations are pointed out.

Lipase-supported metal-organic framework bioreactor catalyzes warfarin synthesis.

Science.gov (United States)

Liu, Wan-Ling; Yang, Ni-Shin; Chen, Ya-Ting; Lirio, Stephen; Wu, Cheng-You; Lin, Chia-Her; Huang, Hsi-Ya

2015-01-02

A green and sustainable strategy synthesizes clinical medicine warfarin anticoagulant by using lipase-supported metal-organic framework (MOF) bioreactors (see scheme). These findings may be beneficial for future studies in the industrial production of chemical, pharmaceutical, and agrochemical precursors. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photoluminescence investigation of thick GaN films grown on Si substrates by hydride vapor phase epitaxy

International Nuclear Information System (INIS)

Yang, M.; Ahn, H. S.; Chang, J. H.; Yi, S. N.; Kim, K. H.; Kim, H.; Kim, S. W.

2003-01-01

The optical properties of thick GaN films grown by hydried vapor phase epitaxy (HVPE) using a low-temperature intermediate GaN buffer layer grown on a (111) Si substrate with a ZnO thin film were investigated by using photoluminescence (PL) measurement at 300 K and 77 K. The strong donor bound exciton (DBE) at 357 nm with a full width at half maximum (FWHM) of 15 meV was observed at 77 K. The value of 15 meV is extremely narrow for GaN grown on Si substrate by HVPE. An impurity-related peak was also observed at 367 nm. The origin of impurity was investigated using Auger spectroscopy.

Vapor-liquid equilibrium for the system ethyl alcohol + ester; Equilibrio liquido-vapor para o sistema alcool etilico+ester

Energy Technology Data Exchange (ETDEWEB)

Oliveira, Humberto Neves Maia de; Nascimento, Yuri Corsino do; Chiavone-Filho, Osvaldo [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil)

2004-07-01

This work consists of the experimental determination of a series of vapor-liquid equilibrium (VLE) data, for mixtures of ethyl alcohol + ester (ethyl acetate), prepared synthetically, that may be present in the production of biodiesel. The separation of the ethyl alcohol from esters by distillation is an important stage of this process, and therefore it demands accurate data for an appropriate modelling, and later optimization via simulators. FISCHER'S ebulliometer, with digital control (Model 602), was used for measurement of VLE data for the system ethyl alcohol + ester. It consists of a recirculation cell of the both vapor and liquid phases, providing complete data, i.e., pressure, temperature and compositions of the liquid and vapor phases that were obtained by gaseous chromatography (PTxy). This apparatus is coupled to a thermostatic bath with cooling (TE-184 TECNAL) that aims to condense the coming steams of the ebullition in order to return to the mixture camera. The VLE data obtained experimentally were submitted to the test of thermodynamic consistence of the deviations, where the equation of Gibbs-Duhem is used, through the model UNIQUAC. The parameters obtained from the experimental data can be applied in the simulators of processes with the purpose of optimizing the separation of the ethyl alcohol of Ester. (author)

The tracking of interfaces in an electron-beam vaporizer

International Nuclear Information System (INIS)

Westerberg, K.W.; McClelland, M.A.; Finlayson, B.A.

1993-03-01

A numerical analysis is made of the material and energy flow in an electron beam vaporizer. In this system the energy from an electron beam heats metal confined in a water-cooled crucible. Metal is vaporized from a liquid pool circulating in a shell of its own solid. A modified Galerkin finite element method is used to calculate the flow and temperature fields along with the interface locations. The mesh is parameterized with spines which stretch and pivot as the phase boundaries move. The discretized equations are arranged in an ''arrow'' matrix and solved using the Newton-Raphson method. Results are given for an experimental aluminum vaporizer. The effects of buoyancy and capillary driven flow are included along with the surface contributions of vapor thrust, latent heat, thermal radiation, and crucible contact resistance

Mass-spectral investigations of vaporization process of the condensed zinc phosphates

International Nuclear Information System (INIS)

Lopatin, S.L; Sinyayev, V.A.; Shugurov, S.M.

2005-01-01

There are the data of high temperature mass-spectrum experiment concerning of thermal decomposition of zinc cyclotriphosphate and zinc diphosphate presented in the given article. It is shown the both salts dissociate into phosphorus oxides, oxygen, and atomic zinc. Correlation between partial pressure of vapor components and composition of condensed phase are described. Effects of temperature and duration of the vaporization process on vapor composition are presented as well. Standard enthalpy of ZnPO 3 molecule decomposition into atoms is calculated. [author

Synthesis of ZnO Nanowires via Hotwire Thermal Evaporation of Brass (CuZn) Assisted by Vapor Phase Transport of Methanol

OpenAIRE

Tamil Many K. Thandavan; Siti Meriam Abdul Gani; Chiow San Wong; Roslan Md Nor

2014-01-01

Zinc oxide (ZnO) nanowires (NWs) were synthesized using vapor phase transport (VPT) and thermal evaporation of Zn from CuZn. Time dependence of ZnO NWs growth was investigated for 5, 10, 15, 20, 25, and 30 minutes. Significant changes were observed from the field electron scanning electron microscopy (FESEM) images as well as from the X-ray diffraction (XRD) profile. The photoluminescence (PL) profile was attributed to the contribution of oxygen vacancy, zinc interstitials, and hydrogen defec...

Metal-Organic Vapor Phase Epitaxial Reactor for the Deposition of Infrared Detector Materials

Science.gov (United States)

2015-04-09

researchers from First Solar in depositing single crystal solar cell materials. A research contract worth over $150K was awarded to RPI b First Solar based on...list is included in Appendix A. All the items listed in the Appendix A was purchased, and in addition to the items, a spare heater and the reaction...and the uniformity of the growth is also significantly improved. For the FirstSolar-funded project on solar cells, a p-type CdTe layer was grown

Dual vapor extraction on acidic sludge tar at a former refinery

International Nuclear Information System (INIS)

Lear, P.R.; Beall, P.; Townsend, S.

1996-01-01

OHM Remediation Services Corp conducted a pilot-scale demonstration for a novel application of dual vapor extraction technology for the pretreatment of the acid tar sludge material. The acid tar sludge comprised of approximately 60% asphaltene hydrocarbon material, 20% clay, and up to 20% sulfuric acid (H 2 SO 4 ). The liquid layer in the bottom of the pits has a low pH ( 2 ) gas which is released with the sludge material is excavated or handled. The objective of the dual vapor extraction was to remove the SO 2 vapors and liquid layer containing sulfuric acid prior to any further treatment. The dual vapor extraction would reduce the amount of alkaline reagent required for neutralization while eliminating the health and safety concerns. Overall, the DVE pilot demonstration successfully showed that both liquids and vapors could be removed from the acid tar sludge material. The liquid present in the lower portions of the pits will have pH values of 1.0 or less and acidities on the order of 5% H 2 SO 4 . The liquid removed from the acid tar sludge material by a DVE system will have slightly higher pH (∼1.5) and lower alkalinities (∼3% H 2 SO 4 ). The SO 2 concentration in the vapors removed by the DVE system will be variable with initial levels approaching 1,200 ppmv SO 2 . The SO 2 concentration in the vapor phase should decrease with time. A caustic scrubber solution will remove any SO 2 from the vapor phase. After DVE treatment, the acid tar sludge material would have a slightly increased pH and a decreased SO 2 concentration

Detection of water vapor on Jupiter

Science.gov (United States)

Larson, H. P.; Fink, U.; Treffers, R.; Gautier, T. N., III

1975-01-01

High-altitude (12.4 km) spectroscopic observations of Jupiter at 5 microns from the NASA 91.5 cm airborne infrared telescope have revealed 14 absorptions assigned to the rotation-vibration spectrum of water vapor. Preliminary analysis indicates a mixing ratio about 1 millionth for the vapor phase of water. Estimates of temperature (greater than about 300 K) and pressure (less than 20 atm) suggest observation of water deep in Jupiter's hot spots responsible for its 5 micron flux. Model-atmosphere calculations based on radiative-transfer theory may change these initial estimates and provide a better physical picture of Jupiter's atmosphere below the visible cloud tops.

Electrical, optical, and structural properties of GaN films prepared by hydride vapor phase epitaxy

International Nuclear Information System (INIS)

Polyakov, A.Y.; Smirnov, N.B.; Yakimov, E.B.; Usikov, A.S.; Helava, H.; Shcherbachev, K.D.; Govorkov, A.V.; Makarov, Yu N.; Lee, In-Hwan

2014-01-01

Highlights: • GaN films are prepared by hydride vapor phase epitaxy (HVPE). • Residual donors and deep traps show a minimum density versus growth temperature. • This minimum is located close to the HVPE growth temperature of 950 °C. • Good crystalline GaN with residual donor density < 10 16 cm −3 can be grown at 950 °C. - Abstract: Two sets of undoped GaN films with the thickness of 10–20 μm were prepared by hydride vapor phase epitaxy (HVPE) and characterized by capacitance–voltage (C–V) profiling, microcathodoluminescence (MCL) spectra measurements, MCL imaging, electron beam induced current (EBIC) imaging, EBIC dependence on accelerating voltage, deep levels transient spectroscopy, high resolution X-ray diffraction measurements. The difference in growth conditions was mainly related to the lower (850 °C, group 1) or higher (950 °C, group 2) growth temperature. Both groups of samples showed similar crystalline quality with the dislocation density close to 10 8 cm −2 , but very different electrical and optical properties. In group 1 samples the residual donors concentration was ∼10 17 cm −3 or higher, the MCL spectra were dominated by the band-edge luminescence, and the diffusion length of charge carriers was close to 0.1 μm. Group 2 samples had a 2–4.5 μm thick highly resistive layer on top, for which MCL spectra were determined by green, yellow and red defect bands, and the diffusion length was 1.5 times higher than in group 1. We also present brief results of growth at the “standard” HVPE growth temperature of 1050 °C that show the presence of a minimum in the net donor concentration and deep traps density as a function of the growth temperature. Possible reasons for the observed results are discussed in terms of the electrical compensation of residual donors by deep traps

Light-enhanced acid catalysis over a metal-organic framework.

Science.gov (United States)

Xu, Caiyun; Sun, Keju; Zhou, Yu-Xiao; Ma, Xiao; Jiang, Hai-Long

2018-03-06

A Brønsted acid-functionalized metal-organic framework (MOF), MIL-101-SO 3 H, was prepared for acid-engaged esterification reactions. Strikingly, for the first time, the MOF exhibits significantly light-enhanced activity and possesses excellent activity and recyclability, with even higher activity than H 2 SO 4 under light irradiation.

Metal-organic frameworks in chromatography.

Science.gov (United States)

Yusuf, Kareem; Aqel, Ahmad; ALOthman, Zeid

2014-06-27

Metal-organic frameworks (MOFs) emerged approximately two decades ago and are the youngest class of porous materials. Despite their short existence, MOFs are finding applications in a variety of fields because of their outstanding chemical and physical properties. This review article focuses on the applications of MOFs in chromatography, including high-performance liquid chromatography (HPLC), gas chromatography (GC), and other chromatographic techniques. The use of MOFs in chromatography has already had a significant impact; however, the utilisation of MOFs in chromatography is still less common than other applications, and the number of MOF materials explored in chromatography applications is limited. Copyright © 2014 Elsevier B.V. All rights reserved.

Vapor-liquid equilibria for the acetone-ethanol-n-propanol-tert-butanol-water system

Energy Technology Data Exchange (ETDEWEB)

Tochigi, K.; Uchida, K.; Kojima, K.

1981-12-01

This study deals with the measurement of vapor-liquid equilibria for the five-component system acetone-ethanol-n-propanol-tert-butanol-water at 760 mmHg and prediction of vapor-liquid equilibria by the ASOG group contribution method. The five-component system in this work is composed of a part of the components obtained during ethanol production by vapor-phase hydration of ethylene. 6 refs.

Highly resistive C-doped hydride vapor phase epitaxy-GaN grown on ammonothermally crystallized GaN seeds

Science.gov (United States)

Iwinska, Malgorzata; Piotrzkowski, Ryszard; Litwin-Staszewska, Elzbieta; Sochacki, Tomasz; Amilusik, Mikolaj; Fijalkowski, Michal; Lucznik, Boleslaw; Bockowski, Michal

2017-01-01

GaN crystals were grown by hydride vapor phase epitaxy (HVPE) and doped with C. The seeds were high-structural-quality ammonothermally crystallized GaN. The grown crystals were highly resistive at 296 K and of high structural quality. High-temperature Hall effect measurements revealed p-type conductivity and a deep acceptor level in the material with an activation energy of 1 eV. This is in good agreement with density functional theory calculations based on hybrid functionals as presented by the Van de Walle group. They obtained an ionization energy of 0.9 eV when C was substituted for N in GaN and acted as a deep acceptor.

Communication: Dynamical and structural analyses of solid hydrogen under vapor pressure

Energy Technology Data Exchange (ETDEWEB)

Hyeon-Deuk, Kim, E-mail: kim@kuchem.kyoto-u.ac.jp [Department of Chemistry, Kyoto University, Kyoto 606-8502 (Japan); Japan Science and Technology Agency, PRESTO, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Ando, Koji [Department of Chemistry, Kyoto University, Kyoto 606-8502 (Japan)

2015-11-07

Nuclear quantum effects play a dominant role in determining the phase diagram of H{sub 2}. With a recently developed quantum molecular dynamics simulation method, we examine dynamical and structural characters of solid H{sub 2} under vapor pressure, demonstrating the difference from liquid and high-pressure solid H{sub 2}. While stable hexagonal close-packed lattice structures are reproduced with reasonable lattice phonon frequencies, the most stable adjacent configuration exhibits a zigzag structure, in contrast with the T-shape liquid configuration. The periodic angular distributions of H{sub 2} molecules indicate that molecules are not a completely free rotor in the vapor-pressure solid reflecting asymmetric potentials from surrounding molecules on adjacent lattice sites. Discrete jumps of librational and H–H vibrational frequencies as well as H–H bond length caused by structural rearrangements under vapor pressure effectively discriminate the liquid and solid phases. The obtained dynamical and structural information of the vapor-pressure H{sub 2} solid will be useful in monitoring thermodynamic states of condensed hydrogens.

Molecular beam epitaxy for the future

International Nuclear Information System (INIS)

Takahashi, K.

1984-01-01

Molecular beam epitaxy (MBE) is most commonly used to fabricate super-lattices, high electron mobility transistors, multi-quantum well lasers and other new semiconductor devices by utilizing its excellent controlability. MBE for the future is presumed to include techniques such as metalorganic chemical vapor deposition, photochemical reaction process using gas sources and ion implantation. A report on the crystal growth of GaAs using metalorganics, trimethylgallium and triethylgallium, which are usually used in chemical vapor deposition, as gaseous sources of gallium in an MBE system is made. (Author) [pt

Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.

Science.gov (United States)

Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D; Nagao, Tadaaki; Cheetham, Anthony K

2015-05-27

Metal-organic frameworks (MOFs) are prone to exhibit phase transitions under stimuli such as changes in pressure, temperature, or gas sorption because of their flexible and responsive structures. Here we report that a dense MOF, ((CH3)2NH2)2[Li2Zr(C2O4)4], exhibits an abrupt increase in proton conductivity from topotactic hydration (H2O/Zr = 0.5), wherein one-fourth of the Li ions are irreversibly rearranged and coordinated by water molecules. This structure further transforms into a third crystalline structure by water uptake (H2O/Zr = 4.0). The abrupt increase in conductivity is reversible and is associated with the latter reversible structure transformation. The H2O molecules coordinated to Li ions, which are formed in the first step of the transformation, are considered to be the proton source, and the absorbed water molecules, which are formed in the second step, are considered to be proton carriers.

A safer and flexible method for the oxygen functionalization of carbon nanotubes by nitric acid vapors

International Nuclear Information System (INIS)

Santangelo, Saveria; Piperopoulos, Elpida; Fazio, Enza; Faggio, Giuliana; Ansari, Shabana; Lanza, Maurizio; Neri, Fortunato; Messina, Giacomo; Milone, Candida

2014-01-01

The functionalization by nitric acid vapors at azeotropic concentration has been recently proposed to eliminate drawbacks of the widely utilized liquid phase functionalization method. This work suggests to exploit the so-called “salt effect” to improve the vapor phase oxidation method in terms of safety and flexibility. Increasing the relative volatility of acid, the addition of Mg(NO 3 ) 2 salt to the HNO 3 + H 2 O solution allows (i) obtaining vapors with HNO 3 at the azeotropic concentration from a more diluted liquid solution (i.e. operating under safer conditions), and (ii) varying the concentration of HNO 3 in the vapor phase even above the azeotropic concentration limit (with improved process flexibility). High-resolution transmission electron microscopy, thermo-gravimetry, Raman spectroscopy and X-ray photoemission spectroscopy systematic analyses are carried out on pristine and oxidized nanotubes in order to assess their functionalization degree, surface chemistry and structural evolution. The most relevant finding of this preliminary study is that the nanotube functionalization extent increases linearly with the HNO 3 vapor concentration.

A safer and flexible method for the oxygen functionalization of carbon nanotubes by nitric acid vapors

Energy Technology Data Exchange (ETDEWEB)

Santangelo, Saveria, E-mail: saveria.santangelo@unirc.it [Dipartimento di Ingegneria Civile, dell’Energia, dell’Ambiente e dei Materiali (DICEAM), Università “Mediterranea”, 89122 Reggio Calabria (Italy); Piperopoulos, Elpida [Dipartimento di Ingegneria Eletronica, Chimica ed Ingegneria Industriale (DIECII), Università di Messina, 98166 Messina (Italy); Fazio, Enza [Dipartimento di Fisica e di Scienze della Terra (DFST), Università di Messina, 98166 Messina (Italy); Faggio, Giuliana [Dipartimento di Ingegneria dell’Informazione, delle Infrastrutture e dell’Energia Sostenibile (DIIES), Università “Mediterranea”, 89122 Reggio Calabria (Italy); Ansari, Shabana [Dipartimento di Ingegneria Eletronica, Chimica ed Ingegneria Industriale (DIECII), Università di Messina, 98166 Messina (Italy); Lanza, Maurizio [Istituto per i Processi Chimico Fisici (IPCF) del CNR, 98158 Messina (Italy); Neri, Fortunato [Dipartimento di Fisica e di Scienze della Terra (DFST), Università di Messina, 98166 Messina (Italy); Messina, Giacomo [Dipartimento di Ingegneria dell’Informazione, delle Infrastrutture e dell’Energia Sostenibile (DIIES), Università “Mediterranea”, 89122 Reggio Calabria (Italy); Milone, Candida [Dipartimento di Ingegneria Eletronica, Chimica ed Ingegneria Industriale (DIECII), Università di Messina, 98166 Messina (Italy)

2014-06-01

The functionalization by nitric acid vapors at azeotropic concentration has been recently proposed to eliminate drawbacks of the widely utilized liquid phase functionalization method. This work suggests to exploit the so-called “salt effect” to improve the vapor phase oxidation method in terms of safety and flexibility. Increasing the relative volatility of acid, the addition of Mg(NO{sub 3}){sub 2} salt to the HNO{sub 3} + H{sub 2}O solution allows (i) obtaining vapors with HNO{sub 3} at the azeotropic concentration from a more diluted liquid solution (i.e. operating under safer conditions), and (ii) varying the concentration of HNO{sub 3} in the vapor phase even above the azeotropic concentration limit (with improved process flexibility). High-resolution transmission electron microscopy, thermo-gravimetry, Raman spectroscopy and X-ray photoemission spectroscopy systematic analyses are carried out on pristine and oxidized nanotubes in order to assess their functionalization degree, surface chemistry and structural evolution. The most relevant finding of this preliminary study is that the nanotube functionalization extent increases linearly with the HNO{sub 3} vapor concentration.

Stress-induced chemical detection using flexible metal-organic frameworks.

Energy Technology Data Exchange (ETDEWEB)

Allendorf, Mark D.; Hesketh, Peter J. (Georgia Institute of Technology, Atlanta, GA); Gall, Kenneth A. (Georgia Institute of Technology, Atlanta, GA); Choudhury, A. (Georgia Institute of Technology, Atlanta, GA); Pikarsky, J. (Georgia Institute of Technology, Atlanta, GA); Andruszkiewicz, Leanne (Georgia Institute of Technology, Atlanta, GA); Houk, Ronald J. T.; Talin, Albert Alec (National Institute of Standards & Technology, Gaithersburg, MD)

2009-09-01

In this work we demonstrate the concept of stress-induced chemical detection using metal-organic frameworks (MOFs) by integrating a thin film of the MOF HKUST-1 with a microcantilever surface. The results show that the energy of molecular adsorption, which causes slight distortions in the MOF crystal structure, can be efficiently converted to mechanical energy to create a highly responsive, reversible, and selective sensor. This sensor responds to water, methanol, and ethanol vapors, but yields no response to either N{sub 2} or O{sub 2}. The magnitude of the signal, which is measured by a built-in piezoresistor, is correlated with the concentration and can be fitted to a Langmuir isotherm. Furthermore, we show that the hydration state of the MOF layer can be used to impart selectivity to CO{sub 2}. We also report the first use of surface-enhanced Raman spectroscopy to characterize the structure of a MOF film. We conclude that the synthetic versatility of these nanoporous materials holds great promise for creating recognition chemistries to enable selective detection of a wide range of analytes. A force field model is described that successfully predicts changes in MOF properties and the uptake of gases. This model is used to predict adsorption isotherms for a number of representative compounds, including explosives, nerve agents, volatile organic compounds, and polyaromatic hydrocarbons. The results show that, as a result of relatively large heats of adsorption (> 20 kcal mol{sup -1}) in most cases, we expect an onset of adsorption by MOF as low as 10{sup -6} kPa, suggesting the potential to detect compounds such as RDX at levels as low as 10 ppb at atmospheric pressure.

Secondary phase formation and the microstructural evolution of surface layers during vapor phase alteration of the French SON 68 nuclear waste glass at 200 degrees C

International Nuclear Information System (INIS)

Gong, W.L.; Ewing, R.C.; Wang, L.M.

1995-01-01

The SON 68 inactive open-quotes R7T7close quotes composition is the French reference glass for the LWR nuclear waste glass. Vapor phase alteration was used to accelerate the reaction progress of glass corrosion and to develop the characteristic suite of secondary, alteration phases. Extensive solid-state characterization (AEM/SEM/HRTEM) was completed on six inactive R7T7 waste glasses which were altered in the presence of saturated water vapor (200 degrees C) for 91, 241, 908, 1000, 1013, and 1021 days. The AEM samples were examined in cross-section (lattice-fringe imaging, micro-diffraction, and quantitative thin-film EDS analysis). The glass monoliths were invariably covered with a thin altered rind. The layer became thicker with time: 0.5 μm for 22 days; 4 μm for 91 days; 6 μm for 241 days; 10 μm for 908 days; 26 μm for 1013 days; and 2 TeO 3 and (Ca,Sr)Mo 3 O 9 (OH) 2 , were found within the inner zones of surface layers, and they must have nucleated in situ, indicating that Ag, Te, Sr, and Mo can be retained within the surface layer. The majority of the surface layer volume is composed of two morphologically and chemically different structures: one consists of well-crystallized fibrous smectite aggregates occurring along with cavities, the A-domain; and the other consists of poorly-crystallized regions containing needle-like smectite (montmorillonite) crystallites, a silica-rich amorphous matrix, and possibly ZrO 2 particles, the B-domain

Breaking Down Chemical Weapons by Metal-Organic Frameworks.

Science.gov (United States)

Mondal, Suvendu Sekhar; Holdt, Hans-Jürgen

2016-01-04

Seek and destroy: Filtration schemes and self-detoxifying protective fabrics based on the Zr(IV)-containing metal-organic frameworks (MOFs) MOF-808 and UiO-66 doped with LiOtBu have been developed that capture and hydrolytically detoxify simulants of nerve agents and mustard gas. Both MOFs function as highly catalytic elements in these applications. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of water vapor on flue gas conditioning in the electric fields with corona discharge

Energy Technology Data Exchange (ETDEWEB)

Liqiang, QI, E-mail: qi_liqiang@163.com; Yajuan, Zhang

2013-07-15

Highlights: • The influence mechanism of water vapor humidification on SO{sub 2} oxidation was analyzed. •The effects of water vapor on the specific resistance in fly ash in ESPs were reported. • The effects of water vapor on the size distribution and specific surface area of fly ash were discussed. • The adhesive characteristic of fly ash in different water vapor was experimented. -- Abstract: Sulfur dioxide (SO{sub 2}) removal via pulsed discharge nonthermal plasma in the absence of ammonia was investigated to determine how electrostatic precipitators (ESPs) can effectively collect particulate matter less than 2.5 μm in diameter from flue gas. SO{sub 2} removal increased as water vapor concentration increased. In a wet-type plasma reactor, directing a gas-phase discharge plasma toward the water film surface significantly enhanced the liquid-phase oxidation of HSO{sub 3}{sup −} to SO{sub 4}{sup 2−}. Comparisons of various absorbents revealed that the hydroxyl radical is a key factor in plasma-induced liquid-phase reactions. The resistivity, size distribution, and cohesive force of fly ash at different water vapor contents were measured using a Bahco centrifuge, which is a dust electrical resistivity test instrument, as well as a cohesive force test apparatus developed by the researchers. When water vapor content increased by 5%, fly ash resistivity in flue gas decreased by approximately two orders of magnitude, adhesive force and size increased, and specific surface area decreased. Therefore, ESP efficiency increased.

Vapor-phase etching of InP using anhydrous HCl and PH/sub 3/ gas

International Nuclear Information System (INIS)

Pak, K.; Koide, Y.; Imai, K.; Yoshida, A.; Nakamura, T.; Yasuda, Y.; Nishinaga, T.

1986-01-01

In situ etching of the substrate surface for vapor-phase epitaxy is a useful technique for obtaining a smooth and damage-free surface prior to the growth. Previous work showed that the incorporation of in situ etching of InP substrate with anhydrous HCl gas resulted in a significant improvement in the surface morphologies for MOVPE-grown InGaAs/InP and InP epitaxial layers. However, the experiment on the HCl etching of the InP substrate for a wide temperature range has not been performed as yet. In this note, the authors describe the effect of the substrate temperature on the etching morphology of InP substrate by using the anhydrous HCl and PH/sub 3/ gases. In the experiment, they used a standard MOVPE horizontal system. A quartz reactor tube in a 60 mm ID, 60 cm long, was employed

Stationary two-phase flow evaluation by the dynamic slip model

International Nuclear Information System (INIS)

Stevanovic, D.

1986-01-01

The equations which describe a dynamic slip model for stationary conditions are given in the paper. The basic solving procedure by the code DVOF4 is briefly described. The results are verified on the experiment FRIGG 313014. besides the void fraction and the vapor and liquid phase temperatures, the following parameters are plotted and explained: vapor phase generation rate, vapor and liquid phase velocities, slip between the phases, interfacial surface, friction drag between each phase and the wall, two-phase flow friction multiplier and pressure drop along the channel. (author)

Framework for simulating droplet vaporization in turbulent flows

Science.gov (United States)

Palmore, John; Desjardins, Olivier

2017-11-01

A framework for performing direct numerical simulations of droplet vaporization is presented. The work is motivated by spray combustion in engines wherein fuel droplets vaporize in a turbulent gas flow. The framework is built into a conservative finite volume code for simulating low Mach number turbulent multiphase flows. Phase tracking is performed using a discretely conservative geometric volume of fluid method, while the transport of mass fraction and temperature is performed using the BQUICK scheme. Special attention is given to the implementation of transport equations near the interface to ensure the consistency between fluxes of mass, momentum, and scalars. The effect of evaporation on the flow appears as a system of coupled source terms which depend on the local thermodynamic equilibrium between the phases. The sources are implemented implicitly using an unconditionally stable, monotone scheme. Two methodologies for resolving the system's thermodynamic equilibrium are compared for their accuracy, robustness, and computational expense. Verification is performed by comparing results to known solutions in one and three dimensions. Finally, simulations of droplets vaporizing in turbulence are demonstrated, and trends for mass fraction and temperature fields are discussed.

InAs/InP(001) quantum dots and quantum sticks grown by MOVPE: shape, anisotropy and formation process

International Nuclear Information System (INIS)

Michon, A.; Patriarche, G.; Sagnes, I.; Beaudoin, G.; Saint-Girons, G.

2006-01-01

This contribution presents a thermodynamical analysis of the formation process of InAs/InP(001) quantum dots (QDs) or quantum sticks (QSs) grown by metalorganic vapor phase epitaxy. This study, based on an analytical model of Tersoff et al. adapted to our QD geometry, describes the origin of QD shape anisotropy and size dispersion. It also explains the shape transition from QDs to QSs under As-poor growth conditions. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Apparatus to measure vapor pressure, differential vapor pressure, liquid molar volume, and compressibility of liquids and solutions to the critical point. Vapor pressures, molar volumes, and compressibilities of protiobenzene and deuteriobenzene at elevated temperatures

International Nuclear Information System (INIS)

Kooner, Z.S.; Van Hook, W.A.

1986-01-01

An apparatus designed to measure vapor pressure differences between two similar liquids, such as isotopic isomers, or between a solution and its reference solvent at temperatures and pressures extending to the critical point is described. Vapor-phase volume is minimized and pressure is transmitted to the transducer through the liquid, thereby avoiding several experimental difficulties. Liquid can be injected into the heated part of the system by volumetrically calibrated screw injectors, thus permitting measurements of liquid molar volume, compressibility, and expansivity. The addition of a high-pressure circulating pump and injection valve allows the apparatus to be employed as a continuous dilution differential vapor pressure apparatus for determining partial molar free energies of solution. In the second part of the paper data on the vapor pressure, molar volume, compressibility, and expansivity and their isotope effects for C 6 H 6 and C 6 D 6 from room temperature to near the critical temperature are reported

Theoretical approaches and experimental evidence for liquid-vapor phase transitions in nuclei

Energy Technology Data Exchange (ETDEWEB)

Moretto, L.G.; Elliott, J.B.; Phair, L.; Wozniak, G.J.; Mader, C.M.; Chappars, A.

2001-01-01

The leptodermous approximation is applied to nuclear systems for T > 0. The introduction of surface corrections leads to anomalous caloric curves and to negative heat capacities in the liquid-gas coexistence region. Clusterization in the vapor is described by associating surface energy to clusters according to Fisher's formula. The three-dimensional Ising model, a leptodermous system par excellence, does obey rigorously Fisher's scaling up to the critical point. Multifragmentation data from several experiments including the ISiS and EOS Collaborations, as well as compound nucleus fragment emission at much lower energy follow the same scaling, thus providing the strongest evidence yet of liquid-vapor coexistence.

Metal-Organic Frameworks: Building Block Design Strategies for the Synthesis of MOFs.

KAUST Repository

Luebke, Ryan

2014-01-01

A significant and ongoing challenge in materials chemistry and furthermore solid state chemistry is to design materials with the desired properties and characteristics. The field of Metal-Organic Frameworks (MOFs) offers several strategies

Separation properties of the MIL-125(Ti) Metal-Organic Framework in high-performance liquid chromatography revealing cis/trans selectivity.

Science.gov (United States)

Van der Perre, Stijn; Liekens, Anuschka; Bueken, Bart; De Vos, Dirk E; Baron, Gino V; Denayer, Joeri F M

2016-10-21

Monodisperse MIL-125(Ti) Metal-Organic Framework crystals were synthesized and studied as stationary phase in high performance liquid chromatography (HPLC). Different pure compounds and model mixtures (including stereoisomer mixtures) were injected from which chromatographic parameters, including selectivities and resolution factors, were determined to evaluate the adsorption properties and separation performance of MIL-125(Ti) in liquid phase. The MIL-125(Ti) framework displayed a trans selectivity for cis/trans difunctionalized cyclohexane molecules with high selectivity and resolution for 1,3-dimethylcyclohexane and 4-ethylcyclohexanol. The slurry-packed column was further characterized via van Deemter analysis. Fitting of the van Deemter equation through the experimental points allowed to define the contributions of the different processes to plate height with a significant proportion of the A-term, reflecting the importance of a good crystal packing. Although high in comparison to commercial HPLC stationary phases, a very good plate height of around 50μm was found. Copyright © 2016 Elsevier B.V. All rights reserved.

Hydrogen storage studies on palladium-doped carbon materials (AC, CB, CNMs) @ metal-organic framework-5.

Science.gov (United States)

Viditha, V; Srilatha, K; Himabindu, V

2016-05-01

Metal organic frameworks (MOFs) are a rapidly growing class of porous materials and are considered as best adsorbents for their high surface area and extraordinary porosity. The MOFs are synthesized by using various chemicals like triethylamine, terepthalic acid, zinc acetate dihydrate, chloroform, and dimethylformamide (DMF). Synthesized MOFs are intercalated with palladium/activated carbon, carbon black, and carbon nanomaterials by chemical reduction method for the purpose of enhancing the hydrogen adsorption capacities. We have observed that the palladium doped activated carbon on MOF-5 showed high hydrogen storage capacity. This may be due to the affinity of the palladium toward hydrogen molecule. The samples are characterized by X-ray diffraction, scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) surface area analysis. We have observed a clear decrease in the BET surface area and pore volume. The obtained results show a better performance for the synthesized sample. To our best knowledge, no one has reported the work on palladium-doped carbon materials (activated carbon, carbon black, carbon nanomaterials) impregnated to the metal-organic framework-5. We have attempted to synthesize carbon nanomaterials using indigenously fabricated chemical vapor deposition (CVD) unit as a support. We have observed an increase in the hydrogen storage capacities.

Experimental study of vapor bubble dynamics

International Nuclear Information System (INIS)

Pasquini, Maria-Elena

2015-01-01

The object of this thesis is an experimental study of vapor bubble dynamics in sub-cooled nucleate boiling. The test section is locally heated by focusing a laser beam: heat fluxes from 1 e4 to 1.5 e6 W/m 2 and water temperature between 100 and 88 C have been considered. Three boiling regimes have been observed. Under saturated conditions and with low heat fluxes a developed nucleate boiling regime has been observed. Under higher sub-cooling and still with low heat fluxes an equilibrium regime has been observed in which the liquid flowrate evaporating at the bubble base is compensated by the vapor condensing flowrate at bubble top. A third regime have been observed at high heat fluxes for all water conditions: it is characterized by the formation of a large dry spot on the heated surface that keeps the nucleation site dry after bubble detachment. The condensation phase starts after bubble detachment. Bubble equivalent radius at detachment varies between 1 and 2.5 mm. Bubble properties have been measured and non-dimensional groups have been used to characterize bubble dynamics. Capillary waves have been observed on the bubble surface thanks to high-speed images acquisition. Two main phenomena have been proposed to explain capillary waves effects on bubble condensation: increasing of the phases interface area and decreasing of vapor bubble translation velocity, because of the increased drag force on the deformed bubble. (author) [fr

Vapor Phase Synthesis of Organometal Halide Perovskite Nanowires for Tunable Room-Temperature Nanolasers.

Science.gov (United States)

Xing, Jun; Liu, Xin Feng; Zhang, Qing; Ha, Son Tung; Yuan, Yan Wen; Shen, Chao; Sum, Tze Chien; Xiong, Qihua

2015-07-08

Semiconductor nanowires have received considerable attention in the past decade driven by both unprecedented physics derived from the quantum size effect and strong isotropy and advanced applications as potential building blocks for nanoscale electronics and optoelectronic devices. Recently, organic-inorganic hybrid perovskites have been shown to exhibit high optical absorption coefficient, optimal direct band gap, and long electron/hole diffusion lengths, leading to high-performance photovoltaic devices. Herein, we present the vapor phase synthesis free-standing CH3NH3PbI3, CH3NH3PbBr3, and CH3NH3PbIxCl3(-x) perovskite nanowires with high crystallinity. These rectangular cross-sectional perovskite nanowires have good optical properties and long electron hole diffusion length, which ensure adequate gain and efficient optical feedback. Indeed, we have demonstrated optical-pumped room-temperature CH3NH3PbI3 nanowire lasers with near-infrared wavelength of 777 nm, low threshold of 11 μJ/cm(2), and a quality factor as high as 405. Our research advocates the promise of optoelectronic devices based on organic-inorganic perovskite nanowires.

Performance assessment of the In-Well Vapor-Stripping System

Energy Technology Data Exchange (ETDEWEB)

Gilmore, T.J.; White, M.D.; Spane, F.A. Jr. [and others

1996-10-01

In-well vapor stripping is a remediation technology designed to preferentially extract volatile organic compounds dissolved in groundwater by converting them to a vapor phase and then treating the vapor. This vapor-stripping system is distinctly different from the more traditional in situ air-sparging concept. In situ sparging takes place in the aquifer formation; in-well vapor stripping takes place within the well casing. The system was field demonstrated at Edwards Air Force Base, California; the first-time demonstration of this technology in the United States. Installation and testing of the system were completed in late 1995, and the demonstration was operated nearly continuously for 6 months (191 days) between January 16 and July 25, 1996. Postdemonstration hydrochemical sampling continued until September 1996. The demonstration was conducted by collaborating researchers from Pacific Northwest National Laboratory (a) and Stanford University as part of an interim cleanup action at the base. Edwards Air Force Base and its environmental subcontractor, Earth Technology Corporation, as well as EG&G Environmental, holders of the commercial rights to the technology, were also significant contributors to the demonstration.

Elimination of macrostep-induced current flow nonuniformity in vertical GaN PN diode using carbon-free drift layer grown by hydride vapor phase epitaxy

Science.gov (United States)

Fujikura, Hajime; Hayashi, Kentaro; Horikiri, Fumimasa; Narita, Yoshinobu; Konno, Taichiro; Yoshida, Takehiro; Ohta, Hiroshi; Mishima, Tomoyoshi

2018-04-01

In vertical GaN PN diodes (PNDs) grown entirely by metal–organic chemical vapor deposition (MOCVD), large current nonuniformity was observed. This nonuniformity was induced by macrosteps on the GaN surface through modulation of carbon incorporation into the n-GaN crystal. It was eliminated in a hybrid PND consisting of a carbon-free n-GaN layer grown by hydride vapor phase epitaxy (HVPE) and an MOCVD-regrown p-GaN layer. The hybrid PND showed a fairly low on-resistance (2 mΩ cm2) and high breakdown voltage (2 kV) even without a field plate electrode. These results clearly indicated the strong advantages of the HVPE-grown drift layer for improving power device performance, uniformity, and yield.

Vapor phase polymerization deposition of conducting polymer/graphene nanocomposites as high performance electrode materials.

Science.gov (United States)

Yang, Yajie; Li, Shibin; Zhang, Luning; Xu, Jianhua; Yang, Wenyao; Jiang, Yadong

2013-05-22

In this paper, we report chemical vapor phase polymerization (VPP) deposition of novel poly(3,4-ethylenedioxythiophene) (PEDOT)/graphene nanocomposites as solid tantalum electrolyte capacitor cathode films. The PEDOT/graphene films were successfully prepared on porous tantalum pentoxide surface as cathode films through the VPP procedure. The results indicated that the high conductivity nature of PEDOT/graphene leads to the decrease of cathode films resistance and contact resistance between PEDOT/graphene and carbon paste. This nanocomposite cathode film based capacitor showed ultralow equivalent series resistance (ESR) ca. 12 mΩ and exhibited better capacitance-frequency performance than the PEDOT based capacitor. The leakage current investigation revealed that the device encapsulation process does not influence capacitor leakage current, indicating the excellent mechanical strength of PEDOT-graphene films. The graphene showed a distinct protection effect on the dielectric layer from possible mechanical damage. This high conductivity and mechanical strength graphene based conducting polymer nanocomposites indicated a promising application future for organic electrode materials.

Preparation of freestanding GaN wafer by hydride vapor phase epitaxy on porous silicon

Science.gov (United States)

Wu, Xian; Li, Peng; Liang, Renrong; Xiao, Lei; Xu, Jun; Wang, Jing

2018-05-01

A freestanding GaN wafer was prepared on porous Si (111) substrate using hydride vapor phase epitaxy (HVPE). To avoid undesirable effects of the porous surface on the crystallinity of the GaN, a GaN seed layer was first grown on the Si (111) bare wafer. A pattern with many apertures was fabricated in the GaN seed layer using lithography and etching processes. A porous layer was formed in the Si substrate immediately adjacent to the GaN seed layer by an anodic etching process. A 500-μm-thick GaN film was then grown on the patterned GaN seed layer using HVPE. The GaN film was separated from the Si substrate through the formation of cracks in the porous layer caused by thermal mismatch stress during the cooling stage of the HVPE. Finally, the GaN film was polished to obtain a freestanding GaN wafer.

Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework.

Science.gov (United States)

Mohideen, M Infas H; Xiao, Bo; Wheatley, Paul S; McKinlay, Alistair C; Li, Yang; Slawin, Alexandra M Z; Aldous, David W; Cessford, Naomi F; Düren, Tina; Zhao, Xuebo; Gill, Rachel; Thomas, K Mark; Griffin, John M; Ashbrook, Sharon E; Morris, Russell E

2011-04-01

Formed by linking metals or metal clusters through organic linkers, metal-organic frameworks are a class of solids with structural and chemical properties that mark them out as candidates for many emerging gas storage, separation, catalysis and biomedical applications. Important features of these materials include their high porosity and their flexibility in response to chemical or physical stimuli. Here, a copper-based metal-organic framework has been prepared in which the starting linker (benzene-1,3,5-tricarboxylic acid) undergoes selective monoesterification during synthesis to produce a solid with two different channel systems, lined by hydrophilic and hydrophobic surfaces, respectively. The material reacts differently to gases or vapours of dissimilar chemistry, some stimulating subtle framework flexibility or showing kinetic adsorption effects. Adsorption can be switched between the two channels by judicious choice of the conditions. The monoesterified linker is recoverable in quantitative yield, demonstrating possible uses of metal-organic frameworks in molecular synthetic chemistry as 'protecting groups' to accomplish selective transformations that are difficult using standard chemistry techniques.

A theoretical study of the growth of large sodium vapor bubbles in liquid sodium, including the effect of noncondensables and of vapor convection

International Nuclear Information System (INIS)

Casadei, F.; Donne, M.D.

1983-01-01

The study of the dynamics of the expansion of large bubbles of hot sodium vapor in a pool of liquid sodium plays an important role in understanding the effects of a hypothetical core disruptive accident. A model of the growth of the bubble in the pool is described. The equations of the motion of the liquid and of the nonsteady heat diffusion problem are solved together with the continuity and energy equations for the vapor phase. The first set of calculations has been performed with constant evaporation and condensation coefficients. In the second set, however, due account has been taken of the effect on condensation of noncondensable fission gases and vapor convection. Due to the very high calculated vapor velocities, noncondensable gases have little effect on the condensation rate, and the percentage amount of condensed sodium is considerably higher than previously calculated by other authors

Vapor pressure and enthalpy of vaporization of aliphatic propanediamines

International Nuclear Information System (INIS)

Verevkin, Sergey P.; Chernyak, Yury

2012-01-01

Highlights: ► We measured vapor pressure of four aliphatic 1,3-diamines. ► Vaporization enthalpies at 298 K were derived. ► We examined consistency of new and available data in the literature. ► A group-contribution method for prediction was developed. - Abstract: Vapor pressures of four aliphatic propanediamines including N-methyl-1,3-propanediamine (MPDA), N,N-dimethyl-1,3-propanediamine (DMPDA), N,N-diethyl-1,3-propanediamine (DEPDA) and N,N,N′,N′-tetramethyl-1,3-propanediamine (4MPDA) were measured using the transpiration method. The vapor pressures developed in this work and reported in the literature were used to derive molar enthalpy of vaporization values at the reference temperature 298.15 K. An internal consistency check of the enthalpy of vaporization was performed for the aliphatic propanediamines studied in this work. A group-contribution method was developed for the validation and prediction vaporization enthalpies of amines and diamines.

A model for arsenic anti-site incorporation in GaAs grown by hydride vapor phase epitaxy

Energy Technology Data Exchange (ETDEWEB)

Schulte, K. L.; Kuech, T. F. [Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States)

2014-12-28

GaAs growth by hydride vapor phase epitaxy (HVPE) has regained interest as a potential route to low cost, high efficiency thin film photovoltaics. In order to attain the highest efficiencies, deep level defect incorporation in these materials must be understood and controlled. The arsenic anti-site defect, As{sub Ga} or EL2, is the predominant deep level defect in HVPE-grown GaAs. In the present study, the relationships between HVPE growth conditions and incorporation of EL2 in GaAs epilayers were determined. Epitaxial n-GaAs layers were grown under a wide range of deposition temperatures (T{sub D}) and gallium chloride partial pressures (P{sub GaCl}), and the EL2 concentration, [EL2], was determined by deep level transient spectroscopy. [EL2] agreed with equilibrium thermodynamic predictions in layers grown under conditions in which the growth rate, R{sub G}, was controlled by conditions near thermodynamic equilibrium. [EL2] fell below equilibrium levels when R{sub G} was controlled by surface kinetic processes, with the disparity increasing as R{sub G} decreased. The surface chemical composition during growth was determined to have a strong influence on EL2 incorporation. Under thermodynamically limited growth conditions, e.g., high T{sub D} and/or low P{sub GaCl}, the surface vacancy concentration was high and the bulk crystal was close to equilibrium with the vapor phase. Under kinetically limited growth conditions, e.g., low T{sub D} and/or high P{sub GaCl}, the surface attained a high GaCl coverage, blocking As adsorption. This competitive adsorption process reduced the growth rate and also limited the amount of arsenic that incorporated as As{sub Ga}. A defect incorporation model which accounted for the surface concentration of arsenic as a function of the growth conditions, was developed. This model was used to identify optimal growth parameters for the growth of thin films for photovoltaics, conditions in which a high growth rate and low [EL2] could be

Vapor deposition in basaltic stalactites, Kilauea, Hawaii

Science.gov (United States)

Baird, A. K.; Mohrig, D. C.; Welday, E. E.

Basaltic stalacties suspended from the ceiling of a large lava tube at Kilauea, Hawaii, have totally enclosed vesicles whose walls are covered with euhedral FeTi oxide and silicate crystals. The walls of the vesicles and the exterior surfaces of stalactites are Fe and Ti enriched and Si depleted compared to common basalt. Minerals in vesicles have surface ornamentations on crystal faces which include alkali-enriched, aluminosilicate glass(?) hemispheres. No sulfide-, chloride-, fluoride-, phosphate- or carbonate-bearing minerals are present. Minerals in the stalactites must have formed by deposition from an iron oxide-rich vapor phase produced by the partial melting and vaporization of wall rocks in the tube.

Controlling Thermal Expansion: A Metal?Organic Frameworks Route

OpenAIRE

Balestra, Salvador R. G.; Bueno-Perez, Rocio; Hamad, Said; Dubbeldam, David; Ruiz-Salvador, A. Rabdel; Calero, Sofia

2016-01-01

Controlling thermal expansion is an important, not yet resolved, and challenging problem in materials research. A conceptual design is introduced here, for the first time, for the use of metal?organic frameworks (MOFs) as platforms for controlling thermal expansion devices that can operate in the negative, zero, and positive expansion regimes. A detailed computer simulation study, based on molecular dynamics, is presented to support the targeted application. MOF-5 has been selected as model m...

Phase equilibria basic principles, applications, experimental techniques

CERN Document Server

Reisman, Arnold

2013-01-01

Phase Equilibria: Basic Principles, Applications, Experimental Techniques presents an analytical treatment in the study of the theories and principles of phase equilibria. The book is organized to afford a deep and thorough understanding of such subjects as the method of species model systems; condensed phase-vapor phase equilibria and vapor transport reactions; zone refining techniques; and nonstoichiometry. Physicists, physical chemists, engineers, and materials scientists will find the book a good reference material.

Oriented circular dichroism analysis of chiral surface-anchored metal-organic frameworks grown by liquid-phase epitaxy and upon loading with chiral guest compounds

KAUST Repository

Gu, Zhigang

2014-06-17

Oriented circular dichroism (OCD) is explored and successfully applied to investigate chiral surface-anchored metal-organic frameworks (SURMOFs) based on camphoric acid (D- and Lcam) with the composition [Cu2(Dcam) 2x(Lcam)2-2x(dabco)]n (dabco=1,4-diazabicyclo- [2.2.2]-octane). The three-dimensional chiral SURMOFs with high-quality orientation were grown on quartz glass plates by using a layer-by-layer liquid-phase epitaxy method. The growth orientation, as determined by X-ray diffraction (XRD), could be switched between the [001] and [110] direction by using either OH- or COOH-terminated substrates. These SURMOFs were characterized by using OCD, which confirmed the ratio as well as the orientation of the enantiomeric linker molecules. Theoretical computations demonstrate that the OCD band intensities of the enantiopure [Cu2(Dcam)2(dabco)] n grown in different orientations are a direct result of the anisotropic nature of the chiral SURMOFs. Finally, the enantiopure [Cu 2(Dcam)2(dabco)]n and [Cu2(Lcam) 2(dabco)]n SURMOFs were loaded with the two chiral forms of ethyl lactate [(+)-ethyl-D-lactate and (-)-ethyl-L-lactate)]. An enantioselective enrichment of >60 % was observed by OCD when the chiral host scaffold was loaded from the racemic mixture. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Oriented circular dichroism analysis of chiral surface-anchored metal-organic frameworks grown by liquid-phase epitaxy and upon loading with chiral guest compounds

KAUST Repository

Gu, Zhigang; Bü rck, Jochen; Bihlmeier, Angela; Liu, Jinxuan; Shekhah, Osama; Weidler, Peter G.; Azucena, Carlos; Wang, Zhengbang; Heiß ler, Stefan; Gliemann, Hartmut; Klopper, Wim; Ulrich, Anne S.; Wö ll, Christof H.

2014-01-01

Oriented circular dichroism (OCD) is explored and successfully applied to investigate chiral surface-anchored metal-organic frameworks (SURMOFs) based on camphoric acid (D- and Lcam) with the composition [Cu2(Dcam) 2x(Lcam)2-2x(dabco)]n (dabco=1,4-diazabicyclo- [2.2.2]-octane). The three-dimensional chiral SURMOFs with high-quality orientation were grown on quartz glass plates by using a layer-by-layer liquid-phase epitaxy method. The growth orientation, as determined by X-ray diffraction (XRD), could be switched between the [001] and [110] direction by using either OH- or COOH-terminated substrates. These SURMOFs were characterized by using OCD, which confirmed the ratio as well as the orientation of the enantiomeric linker molecules. Theoretical computations demonstrate that the OCD band intensities of the enantiopure [Cu2(Dcam)2(dabco)] n grown in different orientations are a direct result of the anisotropic nature of the chiral SURMOFs. Finally, the enantiopure [Cu 2(Dcam)2(dabco)]n and [Cu2(Lcam) 2(dabco)]n SURMOFs were loaded with the two chiral forms of ethyl lactate [(+)-ethyl-D-lactate and (-)-ethyl-L-lactate)]. An enantioselective enrichment of >60 % was observed by OCD when the chiral host scaffold was loaded from the racemic mixture. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chelating agent-free, vapor-assisted crystallization method to synthesize hierarchical microporous/mesoporous MIL-125 (Ti).

Science.gov (United States)

McNamara, Nicholas D; Hicks, Jason C

2015-03-11

Titanium-based microporous heterogeneous catalysts are widely studied but are often limited by the accessibility of reactants to active sites. Metal-organic frameworks (MOFs), such as MIL-125 (Ti), exhibit enhanced surface areas due to their high intrinsic microporosity, but the pore diameters of most microporous MOFs are often too small to allow for the diffusion of larger reactants (>7 Å) relevant to petroleum and biomass upgrading. In this work, hierarchical microporous MIL-125 exhibiting significantly enhanced interparticle mesoporosity was synthesized using a chelating-free, vapor-assisted crystallization method. The resulting hierarchical MOF was examined as an active catalyst for the oxidation of dibenzothiophene (DBT) with tert-butyl hydroperoxide and outperformed the solely microporous analogue. This was attributed to greater access of the substrate to surface active sites, as the pores in the microporous analogues were of inadequate size to accommodate DBT. Moreover, thiophene adsorption studies suggested the mesoporous MOF contained larger amounts of unsaturated metal sites that could enhance the observed catalytic activity.

Remedial design for petroleum hydrocarbons: Soil vapor extraction, product skimmers, and air stripping

International Nuclear Information System (INIS)

Anastasi, F.S.; Loftin, H.J.

1994-01-01

Site characterization activities at an Army installation in Virginia performed prior to closure identified a significant release of gasoline from underground storage tanks and piping associated with the post exchange service station. Floating liquid-phase petroleum hydrocarbons (FLPH) observed in the subsurface over an area of approximately 80,000 square feet ranged up to 5 feet in thickness. Ground water was found to be contaminated with dissolved components of gasoline over an area of approximately 150,000 square feet. A nearby lake and adjacent streams were not impacted by either free-phase or dissolved contamination. Interim remedial measures, including pilot testing of FLPH, vapor-phase, and ground water recovery technologies, were implemented following discovery of the release. Over 5,000 gallons of free-phase product were recovered by skimming and approximately 1,450 gallons of product equivalent were recovered during pilot testing of a soil vapor extraction (SVE) system. At the conclusion of these actions, hydrocarbons remain distributed in the subsurface in the adsorbed-, dissolved-, and vapor-phase. The majority of residual on-site contamination is believed to be either adsorbed to soil particles or as FLPH. The final design of an integrated remediation system based on the pilot test results addressed these conditions

Synthesis of Thin Film Composite Metal-Organic Frameworks Membranes on Polymer Supports

KAUST Repository

Barankova, Eva

2017-01-01

Since the discovery of size-selective metal-organic frameworks (MOF) researchers have tried to manufacture them into gas separation membranes. ZIF-8 became the most studied MOF for membrane applications mainly because of its simple synthesis, good

A Simple Approach to Enhance the Water Stability of a Metal-Organic Framework.

Science.gov (United States)

Shih, Yung-Han; Kuo, Yu-Ching; Lirio, Stephen; Wang, Kun-Yun; Lin, Chia-Her; Huang, Hsi-Ya

2017-01-01

A facile method to improve the feasibility of water-unstable metal-organic frameworks in an aqueous environment has been developed that involves imbedding in a polymer monolith. The effect of compartment type during polymerization plays a significant role in maintaining the crystalline structure and thermal stability of the MOFs, which was confirmed by powder X-ray diffraction (PXRD) and thermogravimetric analysis (TGA), respectively. The MOF-polymer composite prepared in a narrow compartment (column, ID 0.8 mm) has better thermal and chemical stability than that prepared in a broad compartment (vial, ID 7 mm). The developed MOF-polymer composite was applied as an adsorbent in solid-phase microextraction of nine non-steroidal anti-inflammatory drugs (NSAIDs) and could be used for extraction more than 30 times, demonstrating that the proposed approach has potential for industrial applications. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines

International Nuclear Information System (INIS)

Pozdeev, Vasiliy A.; Verevkin, Sergey P.

2011-01-01

Highlights: → We measured vapor pressure of diamines H 2 N-(CH 2 ) n -NH 2 with n = 3 to 12. → Vaporization enthalpies at 298 K were derived. → We examined consistency of new and available in the literature data. → Enthalpies of vaporization show linear dependence on numbers n. → Enthalpies of vaporization correlate linearly with Kovat's indices. - Abstract: Vapor pressures and the molar enthalpies of vaporization of the linear aliphatic alkanediamines H 2 N-(CH 2 ) n -NH 2 with n = (3 to 12) have been determined using the transpiration method. A linear correlation of enthalpies of vaporization (at T = 298.15 K) of the alkanediamines with the number n and with the Kovat's indices has been found, proving the internal consistency of the measured data.

Electrical compensation by Ga vacancies in Ga2O3

OpenAIRE

Korhonen, Esa; Tuomisto, F.; Gogova, D.; Wagner, G.; Baldini, M.; Galazka, Z.; Schewski, R.; Albrecht, M.

2015-01-01

The authors have applied positron annihilation spectroscopy to study the vacancy defects in undoped and Si-doped Ga2O3 thin films. The results show that Ga vacancies are formed efficiently during metal-organic vapor phase epitaxy growth of Ga2O3 thin films. Their concentrations are high enough to fully account for the electrical compensation of Si doping. This is in clear contrast to another n-type transparent semiconducting oxide In2O3, where recent results show that n-type conductivity is n...

Supramolecular metal-organic frameworks that display high homogeneous and heterogeneous photocatalytic activity for H2 production

Science.gov (United States)

Tian, Jia; Xu, Zi-Yue; Zhang, Dan-Wei; Wang, Hui; Xie, Song-Hai; Xu, Da-Wen; Ren, Yuan-Hang; Wang, Hao; Liu, Yi; Li, Zhan-Ting

2016-05-01

Self-assembly has a unique presence when it comes to creating complicated, ordered supramolecular architectures from simple components under mild conditions. Here, we describe a self-assembly strategy for the generation of the first homogeneous supramolecular metal-organic framework (SMOF-1) in water at room temperature from a hexaarmed [Ru(bpy)3]2+-based precursor and cucurbit[8]uril (CB[8]). The solution-phase periodicity of this cubic transition metal-cored supramolecular organic framework (MSOF) is confirmed by small-angle X-ray scattering and diffraction experiments, which, as supported by TEM imaging, is commensurate with the periodicity in the solid state. We further demonstrate that SMOF-1 adsorbs anionic Wells-Dawson-type polyoxometalates (WD-POMs) in a one-cage-one-guest manner to give WD-POM@SMOF-1 hybrid assemblies. Upon visible-light (500 nm) irradiation, such hybrids enable fast multi-electron injection from photosensitive [Ru(bpy)3]2+ units to redox-active WD-POM units, leading to efficient hydrogen production in aqueous media and in organic media. The demonstrated strategy opens the door for the development of new classes of liquid-phase and solid-phase ordered porous materials.

Molecular composition of vapor in the NaF-ZrF4 system

International Nuclear Information System (INIS)

Korenev, Yu.M.; Sidorov, L.N.; Rykov, A.N.; Novoselova, A.V.

1980-01-01

The NaF-ZrF 4 system is studied. It is established that Na 2 ZrF 6 , NaZrF 5 , (NaZrF 5 ) 2 , NaZr 2 F 9 complex molecules are present in the saturated vapor alongside with pure components. Partial pressures of all vapor components are determined. The values of partial pressure and evaporation heat have been used to calculate the vapor composition above the system; T-x and P-T projections of the phase diagram of the NaF-ZrF 4 system are plotted

Analysis of vapor extraction data from applications in Europe

International Nuclear Information System (INIS)

Hiller, D.; Gudemann, H.

1989-01-01

This paper discusses vapor extraction, an in-situ process to remove volatile organic compounds (VOC) from soils of the vadose zone, applied in Europe since the early 1980s. In a vapor extraction well a negative differential pressure is created by a blower or similar device. The differential pressure generates a steady flow of soil gas towards the extraction well and thus provides a flushing of the soil with air undersaturated in respect to the contaminant concentration. Contaminants will evaporate into the gaseous phase both form the liquid phase and form the soil. Differential pressures applied range from 15 inches - 350 inches of water. The contaminated discharge air can be treated by activated carbon or other suitable methods. The effective radius of vapor extraction systems (VES) ranges typically form 20 feet to 150 feet underneath non-sealed - and up to 300 feet underneath sealed surfaces. Contamination from volatile organic compounds (VOC) have turned out to be widespread due to their almost ubiquitous presence in industrial processes. Specifically, VOC include halogenated hydrocarbons like TCE, PCE or TCA, aromatic hydrocarbons like benzene, toluene, xylene and volatile fuels like gasoline

Hydride vapor phase GaN films with reduced density of residual electrons and deep traps

International Nuclear Information System (INIS)

Polyakov, A. Y.; Smirnov, N. B.; Govorkov, A. V.; Yugova, T. G.; Cox, H.; Helava, H.; Makarov, Yu.; Usikov, A. S.

2014-01-01

Electrical properties and deep electron and hole traps spectra are compared for undoped n-GaN films grown by hydride vapor phase epitaxy (HVPE) in the regular process (standard HVPE samples) and in HVPE process optimized for decreasing the concentration of residual donor impurities (improved HVPE samples). It is shown that the residual donor density can be reduced by optimization from ∼10 17  cm −3 to (2–5) × 10 14  cm −3 . The density of deep hole traps and deep electron traps decreases with decreased donor density, so that the concentration of deep hole traps in the improved samples is reduced to ∼5 × 10 13  cm −3 versus 2.9 × 10 16  cm −3 in the standard samples, with a similar decrease in the electron traps concentration

Modular assembly of metal-organic super-containers incorporating calixarenes

Science.gov (United States)

Wang, Zhenqiang; Dai, Feng-Rong

2018-01-16

A new strategy to design container molecules is presented. Sulfonylcalix[4]arenes, which are synthetic macrocyclic containers, are used as building blocks that are combined with various metal ions and tricarboxylate ligands to construct metal-organic `super-containers` (MOSCs). These MOSCs possess both endo and exo cavities and thus mimic the structure of viruses. The synthesis of MOSCs is highly modular, robust, and predictable.

Structure and phase behavior of a confined nanodroplet composed of the flexible chain molecules.

Science.gov (United States)

Kim, Soon-Chul; Kim, Eun-Young; Seong, Baek-Seok

2011-04-28

A polymer density functional theory has been employed for investigating the structure and phase behaviors of the chain polymer, which is modelled as the tangentially connected sphere chain with an attractive interaction, inside the nanosized pores. The excess free energy of the chain polymer has been approximated as the modified fundamental measure-theory for the hard spheres, the Wertheim's first-order perturbation for the chain connectivity, and the mean-field approximation for the van der Waals contribution. For the value of the chemical potential corresponding to a stable liquid phase in the bulk system and a metastable vapor phase, the flexible chain molecules undergo the liquid-vapor transition as the pore size is reduced; the vapor is the stable phase at small volume, whereas the liquid is the stable phase at large volume. The wide liquid-vapor coexistence curve, which explains the wide range of metastable liquid-vapor states, is observed at low temperature. The increase of temperature and decrease of pore size result in a narrowing of liquid-vapor coexistence curves. The increase of chain length leads to a shift of the liquid-vapor coexistence curve towards lower values of chemical potential. The coexistence curves for the confined phase diagram are contained within the corresponding bulk liquid-vapor coexistence curve. The equilibrium capillary phase transition occurs at a higher chemical potential than in the bulk phase.

Preparation of value-added metal-organic frameworks (MOFs) using waste PET bottles as source of acid linker

CSIR Research Space (South Africa)

Dyosiba, Xoliswa

2016-12-01

Full Text Available of Value-added Metal-organic Frameworks (MOFs) Using Waste PET Bottles as Source of Acid Linker Xoliswa Dyosiba, Jianwei Ren, Nicholas M. Musyoka, Henrietta W. Langmi, Mkhulu Mathe, Maurice S. Onyango PII: S2214-9937(16)30053-7 DOI: doi:10.1016/j..., Hen- rietta W. Langmi, Mkhulu Mathe, Maurice S. Onyango, Preparation of Value-added Metal-organic Frameworks (MOFs) Using Waste PET Bottles as Source of Acid Linker, Sustainable Materials and Technologies (2016), doi:10.1016/j.susmat.2016...

Metal-organic extended 2D structures: Fe-PTCDA on Au(111)

International Nuclear Information System (INIS)

Alvarez, Lucia; Caillard, Renaud; MartIn-Gago, Jose A; Mendez, Javier; Pelaez, Samuel; Serena, Pedro A

2010-01-01

In this work we combine organic molecules of 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) with iron atoms on an Au (111) substrate in ultra-high vacuum conditions at different temperatures. By means of scanning tunnelling microscopy (STM) we study the formation of stable 2D metal-organic structures. We show that at certain growth conditions (temperature, time and coverage) stable 'ladder-like' nanostructures are obtained. These are the result of connecting together two metal-organic chains through PTCDA molecules placed perpendicularly, as rungs of a ladder. These structures, stable up to 450 K, can be extended in a 2D layer covering the entire surface and presenting different rotation domains. STM images at both polarities show a contrast reversal between the two molecules at the unit cell. By means of density functional theory (DFT) calculations, we confirm the stability of these structures and that their molecular orbitals are placed separately at the different molecules.

Fabrication of a polymeric composite incorporating metal-organic framework nanosheets for solid-phase microextraction of polycyclic aromatic hydrocarbons from water samples

International Nuclear Information System (INIS)

Wei, Songbo; Lin, Wei; Xu, Jianqiao; Wang, Ying; Liu, Shuqin; Zhu, Fang; Liu, Yuan; Ouyang, Gangfeng

2017-01-01

In this contribution, it was discovered that even distribution of a metal-organic framework (MOF) [e.g. copper 1,4-benzenedicarboxylate (CBDC)] within polymeric matrixes (e.g. polyimide) resulted in a high-efficient coating material on the surface of a stainless steel wire (SSW). Consequently, a home-made solid phase microextraction (SPME) fiber was fabricated for fast determination of target analytes in real water samples. Scanning electron microscope images indicated that the coating possessed homogenously porous surface. Coupled with gas chromatography-mass spectrometry (GC-MS) and direct immersion SPME (DI-SPME) technique, the fiber was evaluated through the analysis of five polycyclic aromatic hydrocarbons (PAHs) in aqueous samples. Under optimized extraction and desorption conditions, the established method based on the home-made fiber exhibited good repeatability (4.2–12.7%, n = 6) and reproducibility (0.9–11.7%, n = 3), low limits of detection (LODs, 0.11–2.10 ng L"−"1), low limits of quantification (LOQs, 0.36–6.99 ng L"−"1) and wide linear ranges (20–5000 ng L"−"1). Eventually, the method was proven applicable in the determination of PAHs in real samples, as the recoveries were in a satisfactory range (81.7–116%). - Highlights: • A homogenously porous CBDC@polyimide-coated fiber was fabricated and characterized. • The fiber exhibited highly desired extraction performance towards PAHs. • The fiber was employed for the determination of PAHs in real aqueous samples.

Fabrication of a polymeric composite incorporating metal-organic framework nanosheets for solid-phase microextraction of polycyclic aromatic hydrocarbons from water samples

Energy Technology Data Exchange (ETDEWEB)

Wei, Songbo; Lin, Wei; Xu, Jianqiao [MOE Key Laboratory of Aquatic Product of Safety/KLGHEI of Environment and Energy Chemistry, School of Chemistry, Sun Yat-sen University, Guangzhou 510275 (China); Wang, Ying [School of Pharmacy, Guiyang Medical University, Guiyang 550004 (China); Liu, Shuqin; Zhu, Fang [MOE Key Laboratory of Aquatic Product of Safety/KLGHEI of Environment and Energy Chemistry, School of Chemistry, Sun Yat-sen University, Guangzhou 510275 (China); Liu, Yuan, E-mail: yliu@shou.edu.cn [College of Food Science & Technology, Shanghai Ocean University, Shanghai 201306 (China); Ouyang, Gangfeng, E-mail: cesoygf@mail.sysu.edu.cn [MOE Key Laboratory of Aquatic Product of Safety/KLGHEI of Environment and Energy Chemistry, School of Chemistry, Sun Yat-sen University, Guangzhou 510275 (China)

2017-06-08

In this contribution, it was discovered that even distribution of a metal-organic framework (MOF) [e.g. copper 1,4-benzenedicarboxylate (CBDC)] within polymeric matrixes (e.g. polyimide) resulted in a high-efficient coating material on the surface of a stainless steel wire (SSW). Consequently, a home-made solid phase microextraction (SPME) fiber was fabricated for fast determination of target analytes in real water samples. Scanning electron microscope images indicated that the coating possessed homogenously porous surface. Coupled with gas chromatography-mass spectrometry (GC-MS) and direct immersion SPME (DI-SPME) technique, the fiber was evaluated through the analysis of five polycyclic aromatic hydrocarbons (PAHs) in aqueous samples. Under optimized extraction and desorption conditions, the established method based on the home-made fiber exhibited good repeatability (4.2–12.7%, n = 6) and reproducibility (0.9–11.7%, n = 3), low limits of detection (LODs, 0.11–2.10 ng L{sup −1}), low limits of quantification (LOQs, 0.36–6.99 ng L{sup −1}) and wide linear ranges (20–5000 ng L{sup −1}). Eventually, the method was proven applicable in the determination of PAHs in real samples, as the recoveries were in a satisfactory range (81.7–116%). - Highlights: • A homogenously porous CBDC@polyimide-coated fiber was fabricated and characterized. • The fiber exhibited highly desired extraction performance towards PAHs. • The fiber was employed for the determination of PAHs in real aqueous samples.

Temperature dependence of InN growth on (0001) sapphire substrates by atmospheric pressure hydride vapor phase epitaxy

International Nuclear Information System (INIS)

Kumagai, Yoshinao; Adachi, Hirokazu; Otake, Aya; Higashikawa, Yoshihiro; Togashi, Rie; Murakami, Hisashi; Koukitu, Akinori

2010-01-01

The temperature dependence of InN growth on (0001) sapphire substrates by atmospheric pressure hydride vapor phase epitaxy (HVPE) was investigated. N-polarity single-crystal InN layers were successfully grown at temperatures ranging from 400 to 500 C. The a and c lattice constants of InN layers grown at 450 C or below were slightly larger than those of InN layers grown above 450 C due to oxygen incorporation that also increased the carrier concentration. The optical absorption edge of the InN layer decreased from above 2.0 to 0.76 eV when the growth temperature was increased from 450 to 500 C. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Solid State Transmitters for Water Vapor and Ozone DIAL Systems, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — We have developed a common architecture for laser transmitters that address requirements for water vapor as well as ground and airborne ozone lidar systems. Our...

Multiferroic behavior associated with an order-disorder hydrogen bonding transition in metal-organic frameworks (MOFs) with the perovskite ABX3 architecture.

Science.gov (United States)

Jain, Prashant; Ramachandran, Vasanth; Clark, Ronald J; Zhou, Hai Dong; Toby, Brian H; Dalal, Naresh S; Kroto, Harold W; Cheetham, Anthony K

2009-09-30

Multiferroic behavior in perovskite-related metal-organic frameworks of general formula [(CH(3))(2)NH(2)]M(HCOO)(3), where M = Mn, Fe, Co, and Ni, is reported. All four compounds exhibit paraelectric-antiferroelectric phase transition behavior in the temperature range 160-185 K (Mn: 185 K, Fe: 160 K; Co: 165 K; Ni: 180 K); this is associated with an order-disorder transition involving the hydrogen bonded dimethylammonium cations. On further cooling, the compounds become canted weak ferromagnets below 40 K. This research opens up a new class of multiferroics in which the electrical ordering is achieved by means of hydrogen bonding.

Measuring Vapor Pressure with an Isoteniscope: A Hands-on Introduction to Thermodynamic Concepts

Science.gov (United States)

Chen, Wenqian; Haslam, Andrew J.; Macey, Andrew; Shah, Umang V.; Brechtelsbauer, Clemens

2016-01-01

Characterization of the vapor pressure of a volatile liquid or azeotropic mixture, and its fluid phase diagram, can be achieved with an isoteniscope and an industrial grade digital pressure sensor using the experimental method reported in this study. We describe vapor-pressure measurements of acetone and n-hexane and their azeotrope, and how the…

A comparison of diamond growth rate using in-liquid and conventional plasma chemical vapor deposition methods

International Nuclear Information System (INIS)

Takahashi, Yoshiyuki; Toyota, Hiromichi; Nomura, Shinfuku; Mukasa, Shinobu; Inoue, Toru

2009-01-01

In order to make high-speed deposition of diamond effective, diamond growth rates for gas-phase microwave plasma chemical vapor deposition and in-liquid microwave plasma chemical vapor deposition are compared. A mixed gas of methane and hydrogen is used as the source gas for the gas-phase deposition, and a methanol solution of ethanol is used as the source liquid for the in-liquid deposition. The experimental system pressure is in the range of 60-150 kPa. While the growth rate of diamond increases as the pressure increases, the amount of input microwave energy per unit volume of diamond is 1 kW h/mm 3 regardless of the method used. Since the in-liquid deposition method provides a superior cooling effect through the evaporation of the liquid itself, a higher electric input power can be applied to the electrodes under higher pressure environments. The growth rate of in-liquid microwave plasma chemical vapor deposition process is found to be greater than conventional gas-phase microwave plasma chemical vapor deposition process under the same pressure conditions.

A comparison of diamond growth rate using in-liquid and conventional plasma chemical vapor deposition methods

Science.gov (United States)

Takahashi, Yoshiyuki; Toyota, Hiromichi; Nomura, Shinfuku; Mukasa, Shinobu; Inoue, Toru

2009-06-01

In order to make high-speed deposition of diamond effective, diamond growth rates for gas-phase microwave plasma chemical vapor deposition and in-liquid microwave plasma chemical vapor deposition are compared. A mixed gas of methane and hydrogen is used as the source gas for the gas-phase deposition, and a methanol solution of ethanol is used as the source liquid for the in-liquid deposition. The experimental system pressure is in the range of 60-150 kPa. While the growth rate of diamond increases as the pressure increases, the amount of input microwave energy per unit volume of diamond is 1 kW h/mm3 regardless of the method used. Since the in-liquid deposition method provides a superior cooling effect through the evaporation of the liquid itself, a higher electric input power can be applied to the electrodes under higher pressure environments. The growth rate of in-liquid microwave plasma chemical vapor deposition process is found to be greater than conventional gas-phase microwave plasma chemical vapor deposition process under the same pressure conditions.

Use of process indices for simplification of the description of vapor deposition systems

International Nuclear Information System (INIS)

Kajikawa, Yuya; Noda, Suguru; Komiyama, Hiroshi

2004-01-01

Vapor deposition is a complex process, including gas-phase, surface, and solid-phase phenomena. Because of the complexity of chemical and physical processes occurring in vapor deposition processes, it is difficult to form a comprehensive, fundamental understanding of vapor deposition and to control such systems for obtaining desirable structures and performance. To overcome this difficulty, we present a method for simplifying the complex description of such systems. One simplification method is to separate complex systems into multiple elements, and determine which of these are important elements. We call this method abridgement. The abridgement method retains only the dominant processes in a description of the system, and discards the others. Abridgement can be achieved by using process indices to evaluate the relative importance of the elementary processes. We describe the formulation and use of these process indices through examples of the growth of continuous films, initial deposition processes, and the formation of the preferred orientation of polycrystalline films. In this paper, we propose a method for representing complex vapor deposition processes as a set of simpler processes

CFD modeling of condensation process of water vapor in supersonic flows

DEFF Research Database (Denmark)

Yang, Yan; Walther, Jens Honore; Yan, Yuying

2017-01-01

The condensation phenomenon of vapor plays an important role in various industries, such as the steam flow in turbines and refrigeration system. A mathematical model is developed to predict the spontaneous condensing phenomenon in the supersonic flows using the nucleation and droplet growth...... theories. The numerical approach is validated with the experimental data, which shows a good agreement between them. The condensation characteristics of water vapor in the Laval nozzle are described in detail. The results show that the condensation process is a rapid variation of the vapor-liquid phase...... change both in the space and in time. The spontaneous condensation of water vapor will not appear immediately when the steam reaches the saturation state. Instead, it occurs further downstream the nozzle throat, where the steam is in the state of supersaturation....

Beer Law Constants and Vapor Pressures of HgI2 over HgI2(s,l)

Science.gov (United States)

Su, Ching-Hua; Zhu, Shen; Ramachandran, N.; Burger, A.

2002-01-01

Optical absorption spectra of the vapor phase over HgI2(s,l) were measured at sample temperatures between 349 and 610 K for wavelengths between 200 and 600 nm. The spectra show the samples sublimed congruently into HGI2 without any observed Hg or I2 absorption spectra. The Beer's Law constants for 15 wavelengths between 200 and 440 nm were derived. From these constants the vapor pressure of HgI2, P, was found to be a function of temperature for the liquid and the solid beta-phases: ln P(atm) = -7700/T(K) + 12.462 (liquid phase) and ln P(atm) = -10150/T(K) + 17.026 (beta-phase). The expressions match the enthalpies of vaporization and sublimation of 15.30 and 20.17 kcal/mole respectively, for the liquid and the beta-phase HgI2. The difference in the enthalpies gives an enthalpy of fusion of 4.87 kcal/mole, and the intersection of the two expressions gives a melting point of 537 K.

Understanding the chemical vapor deposition of diamond: recent progress

International Nuclear Information System (INIS)

Butler, J E; Mankelevich, Y A; Cheesman, A; Ma, Jie; Ashfold, M N R

2009-01-01

In this paper we review and provide an overview to the understanding of the chemical vapor deposition (CVD) of diamond materials with a particular focus on the commonly used microwave plasma-activated chemical vapor deposition (MPCVD). The major topics covered are experimental measurements in situ to diamond CVD reactors, and MPCVD in particular, coupled with models of the gas phase chemical and plasma kinetics to provide insight into the distribution of critical chemical species throughout the reactor, followed by a discussion of the surface chemical process involved in diamond growth.

Correlations between water-soluble organic aerosol and water vapor: a synergistic effect from biogenic emissions?

Science.gov (United States)

Hennigan, Christopher J; Bergin, Michael H; Weber, Rodney J

2008-12-15

Ground-based measurements of meteorological parameters and water-soluble organic carbon in the gas(WSOCg) and particle (WSOCp) phases were carried out in Atlanta, Georgia, from May to September 2007. Fourteen separate events were observed throughout the summer in which WSOCp and water vapor concentrations were highly correlated (average WSOCp-water vapor r = 0.92); however, for the entire summer, no well-defined relationship existed between the two. The correlation events, which lasted on average 19 h, were characterized by a wide range of WSOCp and water vapor concentrations. Several hypotheses for the correlation are explored, including heterogeneous liquid phase SOA formation and the co-emission of biogenic VOCs and water vapor. The data provide supporting evidence for contributions from both and suggest the possibility of a synergistic effect between the co-emission of water vapor and VOCs from biogenic sources on SOA formation. Median WSOCp concentrations were also correlated with elemental carbon (EC), although this correlation extended over the entire summer. Despite the emission of water vapor from anthropogenic mobile sources and the WSOCp-EC correlation, mobile sources were not considered a potential cause for the WSOCp-water vapor correlations because of their low contribution to the water vapor budget. Meteorology could perhaps have influenced the WSOCp-EC correlation, but other factors are implicated as well. Overall, the results suggest that the temperature-dependent co-emission of water vapor through evapotranspiration and SOA precursor-VOCs by vegetation may be an important process contributing to SOA in some environments.

Anthraquinone with Tailored Structure for Nonaqueous Metal-Organic Redox Flow Battery

Energy Technology Data Exchange (ETDEWEB)

Wang, Wei; Xu, Wu; Cosimbescu, Lelia; Choi, Daiwon; Li, Liyu; Yang, Zhenguo

2012-06-08

A nonaqueous, hybrid metal-organic redox flow battery based on tailored anthraquinone structure is demonstrated to have an energy efficiency of {approx}82% and a specific discharge energy density similar to aqueous redox flow batteries, which is due to the significantly improved solubility of anthraquinone in supporting electrolytes.

Applicability of the theory of thermodynamic similarity to predict the enthalpies of vaporization of aliphatic aldehydes

Science.gov (United States)

Esina, Z. N.; Korchuganova, M. R.

2015-06-01

The theory of thermodynamic similarity is used to predict the enthalpies of vaporization of aliphatic aldehydes. The predicted data allow us to calculate the phase diagrams of liquid-vapor equilibrium in a binary water-aliphatic aldehyde system.

Zirconium-based highly porous metal-organic framework (MOF-545) as an efficient adsorbent for vortex assisted-solid phase extraction of lead from cereal, beverage and water samples.

Science.gov (United States)

Tokalıoğlu, Şerife; Yavuz, Emre; Demir, Selçuk; Patat, Şaban

2017-12-15

In this study, zirconium-based highly porous metal-organic framework, MOF-545, was synthesized and characterized. The surface area of MOF-545 was found to be 2192m 2 /g. This adsorbent was used for the first time as an adsorbent for the vortex assisted-solid phase extraction of Pb(II) from cereal, beverage and water samples. Lead in solutions was determined by FAAS. The optimal experimental conditions were as follows: the amount of MOF-545, 10mg; pH of sample, 7; adsorption and elution time, 15min; and elution solvent, 2mL of 1molL -1 HCl. Under the optimal conditions of the method, the limit of detection, preconcentration factor and precision as RSD% were found to be 1.78μgL -1 , 125 and 2.6%, respectively. The adsorption capacity of the adsorbent for lead was found to be 73mgg -1 . The method was successfully verified by analyzing two certified reference materials (BCR-482 Lichen and SPS-WW1 Batch 114) and spiked chickpea, bean, wheat, lentil, cherry juice, mineral water, well water and wastewater samples. Copyright © 2017 Elsevier Ltd. All rights reserved.

Capture of organic iodides from nuclear waste by metal-organic framework-based molecular traps.

Science.gov (United States)

Li, Baiyan; Dong, Xinglong; Wang, Hao; Ma, Dingxuan; Tan, Kui; Jensen, Stephanie; Deibert, Benjamin J; Butler, Joseph; Cure, Jeremy; Shi, Zhan; Thonhauser, Timo; Chabal, Yves J; Han, Yu; Li, Jing

2017-09-07

Effective capture of radioactive organic iodides from nuclear waste remains a significant challenge due to the drawbacks of current adsorbents such as low uptake capacity, high cost, and non-recyclability. We report here a general approach to overcome this challenge by creating radioactive organic iodide molecular traps through functionalization of metal-organic framework materials with tertiary amine-binding sites. The molecular trap exhibits a high CH 3 I saturation uptake capacity of 71 wt% at 150 °C, which is more than 340% higher than the industrial adsorbent Ag 0 @MOR under identical conditions. These functionalized metal-organic frameworks also serve as good adsorbents at low temperatures. Furthermore, the resulting adsorbent can be recycled multiple times without loss of capacity, making recyclability a reality. In combination with its chemical and thermal stability, high capture efficiency and low cost, the adsorbent demonstrates promise for industrial radioactive organic iodides capture from nuclear waste. The capture mechanism was investigated by experimental and theoretical methods.Capturing radioactive organic iodides from nuclear waste is important for safe nuclear energy usage, but remains a significant challenge. Here, Li and co-workers fabricate a stable metal-organic framework functionalized with tertiary amine groups that exhibits high capacities for radioactive organic iodides uptake.

Capture of organic iodides from nuclear waste by metal-organic framework-based molecular traps

KAUST Repository

Li, Baiyan

2017-09-01

Effective capture of radioactive organic iodides from nuclear waste remains a significant challenge due to the drawbacks of current adsorbents such as low uptake capacity, high cost, and non-recyclability. We report here a general approach to overcome this challenge by creating radioactive organic iodide molecular traps through functionalization of metal-organic framework materials with tertiary amine-binding sites. The molecular trap exhibits a high CH3I saturation uptake capacity of 71 wt% at 150 °C, which is more than 340% higher than the industrial adsorbent Ag0@MOR under identical conditions. These functionalized metal-organic frameworks also serve as good adsorbents at low temperatures. Furthermore, the resulting adsorbent can be recycled multiple times without loss of capacity, making recyclability a reality. In combination with its chemical and thermal stability, high capture efficiency and low cost, the adsorbent demonstrates promise for industrial radioactive organic iodides capture from nuclear waste. The capture mechanism was investigated by experimental and theoretical methods.Capturing radioactive organic iodides from nuclear waste is important for safe nuclear energy usage, but remains a significant challenge. Here, Li and co-workers fabricate a stable metal-organic framework functionalized with tertiary amine groups that exhibits high capacities for radioactive organic iodides uptake.

Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 1. C1 - C10

Science.gov (United States)

Acree, William; Chickos, James S.

2016-09-01

A compendium of phase change enthalpies published in 2010 is updated to include the period 1880-2015. Phase change enthalpies including fusion, vaporization, and sublimation enthalpies are included for organic, organometallic, and a few inorganic compounds. Part 1 of this compendium includes organic compounds from C1 to C10. Part 2 of this compendium, to be published separately, will include organic and organometallic compounds from C11 to C192. Sufficient data are presently available to permit thermodynamic cycles to be constructed as an independent means of evaluating the reliability of the data. Temperature adjustments of phase change enthalpies from the temperature of measurement to the standard reference temperature, T = 298.15 K, and a protocol for doing so are briefly discussed.

Thermal decomposition of calcium aluminium phosphate of Thies. [Vaporization of uranium and phosphorus pentoxide

Energy Technology Data Exchange (ETDEWEB)

Allaf, K; Rouanet, A

1984-01-01

This study is related to the work on beneficiation of raw phosphates by thermal processing (selective vaporization). More precisely it deals with the ability of a calcium-aluminium phosphate (ores from Thies) to vaporize selectively as phosphorus pentoxide and uranium contents. Experiments are performed on liquid samples at Tsub(f)vaporize quite selectively up to 1600/sup 0/C with approximately the same rate of vaporization. At higher temperatures only calcic and aluminous compounds remain as stable phases in the residuum.

Improving Liquid Entry Pressure of Polyvinylidene Fluoride (PVDF Membranes by Exploiting the Role of Fabrication Parameters in Vapor-Induced Phase Separation VIPS and Non-Solvent-Induced Phase Separation (NIPS Processes

Directory of Open Access Journals (Sweden)

Faisal Abdulla AlMarzooqi

2017-02-01

Full Text Available Polyvinylidene fluoride (PVDF is a popular polymer material for making membranes for several applications, including membrane distillation (MD, via the phase inversion process. Non-solvent-induced phase separation (NIPS and vapor-induced phase separation (VIPS are applied to achieve a porous PVDF membrane with low mass-transfer resistance and high contact angle (hydrophobicity. In this work, firstly, the impacts of several preparation parameters on membrane properties using VIPS and NIPS were studied. Then, the performance of the selected membrane was assessed in a lab-scale direct-contact MD (DCMD unit. The parametric study shows that decreasing PVDF concentration while increasing both relative humidity (RH and exposure time increased the contact angle and bubble-point pore size (BP. Those trends were investigated further by varying the casting thickness. At higher casting thicknesses and longer exposure time (up to 7.5 min, contact angle (CA increased but BP significantly decreased. The latter showed a dominant trend leading to liquid entry pressure (LEP increase with thickness.

Dynamics of vapor bubbles in nitrogen tetroxide in conditions of pipeline seal failure

International Nuclear Information System (INIS)

Karpova, T.A.; Kolesnikov, P.M.

1988-01-01

A numerical study has been made of cavitation processe ocurring in liquid nitrogen tetroxide with an abrupt liquid pressure drop in a temperature range from 300 to 333 K. An influence of the initial process temperature and pressure drop on dynamics of vapor bubbles with regard for heat transfer processes and phase transition liquid-vapor has been investigated

Hydrogen Storage in Metal-Organic Frameworks

Energy Technology Data Exchange (ETDEWEB)

Long, Jeffrey R. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

2016-04-28

The design and characterization of new materials for hydrogen storage is an important area of research, as the ability to store hydrogen at lower pressures and higher temperatures than currently feasible would lower operating costs for small hydrogen fuel cell vehicles. In particular, metal-organic frameworks (MOFs) represent promising materials for use in storing hydrogen in this capacity. MOFs are highly porous, three-dimensional crystalline solids that are formed via linkages between metal ions (e.g., iron, nickel, and zinc) and organic molecules. MOFs can store hydrogen via strong adsorptive interactions between the gas molecules and the pores of the framework, providing a high surface area for gas adsorption and thus the opportunity to store hydrogen at significantly lower pressures than with current technologies. By lowering the energy required for hydrogen storage, these materials hold promise in rendering hydrogen a more viable fuel for motor vehicles, which is a highly desirable outcome given the clean nature of hydrogen fuel cells (water is the only byproduct of combustion) and the current state of global climate change resulting from the combustion of fossil fuels. The work presented in this report is the result of collaborative efforts between researchers at Lawrence Berkeley National Lab (LBNL), the National Institute of Standards and Technology (NIST), and General Motors Corporation (GM) to discover novel MOFs promising for H₂ storage and characterize their properties. Described herein are several new framework systems with improved gravimetric and volumetric capacity to strongly bind H₂ at temperatures relevant for vehicle storage. These materials were rigorously characterized using neutron diffraction, to determine the precise binding locations of hydrogen within the frameworks, and high-pressure H₂ adsorption measurements, to provide a comprehensive picture of H₂ adsorption at all relevant pressures. A