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Sample records for dot cl hydrogen

  1. Effects of temperature and hydrogen-like impurity on the coherence time of RbCl parabolic quantum dot qubit

    NASA Astrophysics Data System (ADS)

    Xiao, Jing-Lin

    2016-02-01

    By using a variational method of Pekar type, the Fermi Golden Rule and the quantum statistics theory (VMPTFGRQST), we investigate the effects of the hydrogen-like impurity and temperature on the coherence time of a parabolic quantum dot (PQD) qubit with a hydrogen-like impurity at the center. We then derive the ground and the first excited states' (GFES) eigenenergies and the eigenfunctions in a PQD. A single qubit can be realized in this two-level quantum system. The phonon spontaneous emission causes the decoherence of the qubit. The numerical results show that the coherence time is a decreasing function of the temperature, the strength of the Coulombic impurity potential (CIP) and the polaron radius (PR).

  2. Graphene quantum dots/Au hybrid nanoparticles as electrocatalyst for hydrogen evolution reaction

    NASA Astrophysics Data System (ADS)

    Luo, Peihui; Jiang, Linqin; Zhang, Weilong; Guan, Xiangfeng

    2015-11-01

    Graphene quantum dots/Au hybrid nanoparticles (denoted as GQDs-Au) were prepared by heating HAuCl4 with GQDs, and they showed higher electrocatalytic activity for hydrogen evolution reaction than that of pure Au nanoparticles.

  3. Effects of Shannon entropy and electric field on polaron in RbCl triangular quantum dot

    NASA Astrophysics Data System (ADS)

    M, Tiotsop; A, J. Fotue; S, C. Kenfack; N, Issofa; H, Fotsin; L, C. Fai

    2016-04-01

    In this paper, the time evolution of the quantum mechanical state of a polaron is examined using the Pekar type variational method on the condition of the electric-LO-phonon strong-coupling and polar angle in RbCl triangular quantum dot. We obtain the eigenenergies, and the eigenfunctions of the ground state, and the first excited state respectively. This system in a quantum dot can be treated as a two-level quantum system qubit and the numerical calculations are performed. The effects of Shannon entropy and electric field on the polaron in the RbCl triangular quantum dot are also studied.

  4. Molecularly engineered quantum dots for visualization of hydrogen sulfide.

    PubMed

    Yan, Yehan; Yu, Huan; Zhang, Yajiao; Zhang, Kui; Zhu, Houjuan; Yu, Tao; Jiang, Hui; Wang, Suhua

    2015-02-18

    Among various fluorescence nanomaterials, the II-VI semiconductor nanocrystals (usually called quantum dots, QDs) should be very promising in sensing application because of their high quantum yields, capability for surface property manipulation, and unlimited possible chemical reactions. Herein, we present a fluorescence probe for hydrogen sulfide, which was prepared by first encapsulating inorganic cadmium telluride (CdTe) QDs in silica nanospheres, and subsequently engineering the silica surface with functional molecules azidocoumarin-4-acetic acid reactive to hydrogen sulfide. The nanohybrid probe exhibited two fluorescence bands centered at 452 and 657 nm, respectively. The red fluorescence at 657 nm of the nanohybrid probe is stable against H2S, while the blue fluorescence is specifically sensitive to H2S. The probe showed a distinct fluorescence color evolution from light magenta to blue upon exposure to different amounts of H2S, and a detection limit of 7.0 nM was estimated in aqueous solution. We further applied the nanohybrid probe for visual detection of gaseous H2S with a low concentration of 0.5 ppm using glass indicating spots sensors, suggesting its potential application for gaseous H2S sensing. Such an efficient on-site visual determination of gaseous hydrogen sulfide (H2S) is highly demanded in on-site environmental monitoring and protection. PMID:25615270

  5. Ab initio studies on hydrogen-transfer tunneling for Cl + HCl abstraction hydrogen reaction

    SciTech Connect

    Yuxiang Bu; Zhaohua Cao; Xinyu Song

    1996-01-05

    This article presents a treatment scheme of the tunneling of hydrogen between two molecular centers (Cl...Cl). The purpose is to calculate the tunneling probabilities of hydrogen atom transfer from the initial (the proceeding complex) to the final-state energy minima (the succeeding complex) in two anharmonic vibrational states (0 {r_arrow} 0 and 1 {r_arrow} 1) in terms of the time-dependent perturbation theory expression and to see whether spectroscopic signatures of tunneling persist in the form of splittings of the vibrational modes. The analysis uses the realistic potential energy function calculated at the HF/6-31 + G** self-consistent-field basis-set level for the interaction between transferred hydrogen and its molecular skeleton (Cl ... H ... Cl). This potential energy surface is calibrated by comparing its properties with those from s POLO and the LEPS potential-energy surfaces. The anharmonic vibrational state is characterized by the corrected vibrational energy levels and a set of linear combination coefficients obtained via perturbation theory. The tunneling probabilities for two transitions (0 {r_arrow} 0 and 1 {r_arrow} 1) were calculated and compared with those from Gamow`s equation. Applicability of the time-dependent perturbation theory expression and Gamow`s equation to the [Cl-H ... Cl] system is discussed. The vibrational splitting energies are obtained, and a spectroscopic signature caused by tunneling is expected and should be observable. 28 refs., 1 fig., 4 tabs.

  6. Dynamic [Cl-]i measurement with chloride sensing quantum dots nanosensor in epithelial cells

    NASA Astrophysics Data System (ADS)

    Wang, Yuchi; Mao, Hua; Wong, Lid B.

    2010-02-01

    We have synthesized a chloride sensing quantum dots (QD) nanosensor, Cl-QD, for the dynamic measurements of chloride ion concentration in the millimolar range, a sensitivity that is applicable to most physiological intracellular chloride ion concentration ([Cl-]i) measurements in epithelial cells. The Cl-QD is synthesized by conjugating an anion receptor, 1-(2-mercapto-ethyl)-3-phenyl-thiourea (MEPTU) to a water soluble CdSe/ZnS QD at an emission wavelength of 620 nm. Upon binding of chloride ions to the Cl-QD, a photo-induced electron transfer mechanism caused the fluorescence of the QD to quench. This resulted in an inversely proportional relationship between the chloride ion concentration and the fluorescence intensity of the Cl-QD. We have utilized this Cl-QD to measure [Cl-]i in T84 and CF-PAC cultured cells, with either the C1C-2 or CFTR chloride channels being manipulated by pharmacological chloride channel activators and inhibitors. Activations of C1C-2 and CFTR chloride channels in T84 by the respective lubiprostone and genistein caused predictive increases in the fluorescence of the Cl-QD, i.e., a decrease of [Cl-]i. Conversely, glibenclamide, a chloride channel inhibitor, applied to the CF-PAC cells caused a predictable decrease in the fluorescence of Cl-QD due to the increase of [Cl-]i. These are the first data in using QD-based chloride ion sensors for dynamic measurements of intracellular chloride ion concentrations in epithelial cells.

  7. Hydrogen chloride 37Cl/35Cl isotopic ratio field analyzer for the investigation of volcanic plumes

    NASA Astrophysics Data System (ADS)

    D'Amato, Francesco; Burton, Mike; Chiarugi, Antonio; Viciani, Silvia

    2015-04-01

    We present a new analyzer for the in-field measurement of the isotopic ratio 37Cl/35Cl in the hydrogen chloride emitted by volcanoes, developed within the frame of the ERC Project CO2Volc (Grant 279802). The Project aims to the measurement of several molecular species in the volcanic plumes. The analyzer is based on molecular spectroscopy. The volcanic plume interacts in a multipass cell with two laser beams at suitable wavelengths. From the absorptions of the two beams by the two isotopologues the isotopic ratio is retrieved. We report here the results of the laboratory checks of the instrument, and the results of a measurement campaign carried out on Etna and Vulcano. The campaign aimed to verify not only the in-field performances of the analyzer but also to assess its robustness in such a hostile environment.

  8. Computation of hyperfine energies of hydrogen, deuterium and tritium quantum dots

    NASA Astrophysics Data System (ADS)

    Çakır, Bekir; Özmen, Ayhan; Yakar, Yusuf

    2016-01-01

    The hyperfine energies and hyperfine constants of the ground and excited states of hydrogen, deuterium and tritium quantum dots(QDs) are calculated. Quantum genetic algorithm (QGA) and Hartree-Fock-Roothaan (HFR) methods are employed to calculate the unperturbed wave functions and energy eigenvalues. The results show that in the medium and strong confinement regions the hyperfine energy and hyperfine constant are strongly affected by dot radius, impurity charge, electron spin orientation, impurity spin and impurity magnetic moment. Besides, in all dot radii, the hyperfine splitting and hyperfine constant of the confined hydrogen and tritium atoms are approximately equivalent to each other and they are greater than the confined deuterium atom.

  9. Quantum-dot-sensitized TiO2 inverse opals for photoelectrochemical hydrogen generation.

    PubMed

    Cheng, Chuanwei; Karuturi, Siva Krishna; Liu, Lijun; Liu, Jinping; Li, Hongxing; Su, Liap Tat; Tok, Alfred Iing Yoong; Fan, Hong Jin

    2012-01-01

    A new nanoarchitecture photoelectrode design comprising CdS quantum-dot-sensitized, optically and electrically active TiO(2) inverse opals is developed for photoelectrochemical water splitting. The photoelectrochemical performance shows high photocurrent density (4.84 mA cm(-2) at 0 V vs. Ag/AgCl) under simulated solar-light illumination. PMID:22009604

  10. Hydrogen-enhanced SCC of 304 austenitic stainless steel in MgCl{sub 2}

    SciTech Connect

    Gao, K.W.; Qiao, L.J.; Luo, J.L.

    1998-12-31

    SCC of 304 stainless steel(ss) in boiling MgCl{sub 2} at 416K was performed to investigate the effect of hydrogen during test. Results showed that the existence of hydrogen enhanced the susceptibility of SCC of 304ss. The fractography of specimen charged with hydrogen contained more intergranular than that of uncharged ones, and for both specimens charged or uncharged with hydrogen, SCC initiated and propagated along {l_brace}111{r_brace} plane.

  11. Atmospheric chemistry of the reaction ClO + O2 reversible reaction ClO (center dot) O2: Where it stands, what needs to be done, and why?

    NASA Technical Reports Server (NTRS)

    Prasad, Sheo S.; Lee, Timothy J.

    1994-01-01

    Possible existence and chemistry of ClO (center dot) O2 was originally proposed to explain the Norrish-Neville effect that O2 suppresses chlorine photosensitized loss of ozone. It was also thought that ClO (center dot) O2 might have some atmospheric chemistry significance. Recently, doubts have been cast on this proposal, because certain laboratory data seem to imply that the equilibrium constant of the title reaction is so small that ClO (center dot) O2 may be too unstable to matter. However, those data create only a superficial illusion to that effect, because on a closer analysis they do not disprove a moderately stable and chemically significant ClO (center dot) O2. Furthermore, our state-of-the-science accurate computational chemistry calculations also suggest that ClO (center dot) O2 may be a weakly bound ClOOO radical with a reactive (2)A ground electronic state. There is therefore a need to design and perform definitive experimental tests of the existence and chemistry of the ClO (center dot) O2 species, which we discuss and which have the potential to mediate the chlorine-catalyzed stratospheric ozone depletion.

  12. EVALUATION OF RADIOLYSIS INDUCED HYDROGEN GENERATION IN DOT 6M DRUMS FROM INTEC

    SciTech Connect

    Vinson, D

    2007-06-18

    Three DOT 6M 30-gallon drums are scheduled to be shipped from the Idaho Nuclear Technology Engineering Center (INTEC) at the Idaho National Laboratory (INL) to L-Area at the Savannah River Site (SRS). These three drums contain radioactive materials that resulted from the material recovery effort following a small explosion that had occurred in the Idaho Chemical Processing Plant (ICPP) hot chemistry laboratory (HCL). In support of the shipment and subsequent storage of the three DOT 6M drums, an evaluation of the potential for molecular hydrogen production in the drums has been completed and documented herein. The potential sources of hydrogen evaluated in the current report include radiolytic decomposition of polymeric materials in the DOT 6M drums No.3031 and No.3598 and the radiolytic decomposition of water in drum No.20102. No other potential sources have been identified based upon reported drum contents and packaging configuration. A parametric approach was used to evaluate the maximum quantity of molecular hydrogen that can be expected to evolve in two DOT 6M 30-gallon drums in support of receipt and subsequent interim storage prior to canyon processing. These drums are two of three drums scheduled for shipment from INTEC to SRS as part of the decommissioning effort of the INTEC facility. The three DOT 6M drums will be received at L-Area in SRS and stored for up to 13-years prior to final disposition at HB-Line in 2020. Results of the current analysis do not include parametric analysis of drum No.20102 containing 114/133 SAL (salvage) which contains UO{sub 3} powder. This drum has not been identified as containing polymeric materials and a conservative calculation indicates that the maximum gross molecular hydrogen production due to the radiolysis of adsorbed moisture would yield a production rate of 5.1-cm{sup 3}/yr, driven primarily by the large surface are to volume ratio of the oxide powder. The remaining two drums, No.3031 and No.3598 contain polymer

  13. Anionic complexes of F- and Cl- with substituted methanes: Hydrogen, halogen, and tetrel bonds

    NASA Astrophysics Data System (ADS)

    Del Bene, Janet E.; Alkorta, Ibon; Elguero, José

    2016-07-01

    Ab initio MP2/aug‧-cc-pVTZ calculations have been carried out to investigate the anionic complexes X-:CX(FnH3-n), for X = F, Cl, and n = 0-3. These complexes are stabilized by tetrel, hydrogen, and halogen bonds. Hydrogen-bonded complexes are the most stable complexes and halogen-bonded complexes are the least stable, with one exception. Charge-transfer across intermolecular bonds stabilizes all complexes, and occurs from the anion lone-pair to a σ∗ orbital of the substituted methane. EOM-CCSD spin-spin coupling constants 1tJ(X-C) across intermolecular tetrel bonds, 2hJ(C-X) across hydrogen bonds, and 1xJ(Cl-Cl) and 2xJ(C-Cl) across halogen bonds correlate with intermolecular distances.

  14. Investigation of the hydrogenation of SiCl4

    NASA Technical Reports Server (NTRS)

    Mui, J. Y. P.; Seyferth, D.

    1981-01-01

    A laboratory scale pressure reactor was constructed to study the 3 SiCl + 2H2 + Si yields 4 SiHCl3 reaction at pressures up to 500 psig. Reaction kinetic measurements were carried out as a function of reactor pressure, reaction temperature and H2/SiCl4 feed ratio. Based on the reaction kinetic data, the hydroclorination of SiCl4 and m.g. silicon metal is found to be an efficient process to produce SiHCl3 in good conversions and in high yields. Copper is an effective catalyst. Results of the corrosion study show that conventional nickel chromium alloys are suitable material of construction for the hydrochlorination reactor. The hydrochlorination reaction is relatively insensitive to external process parameters such as silicon particle size distribution and the impurities in the m.g. silicon metal.

  15. Carbon quantum dots coated BiVO{sub 4} inverse opals for enhanced photoelectrochemical hydrogen generation

    SciTech Connect

    Nan, Feng; Shen, Mingrong; Fang, Liang E-mail: lfang@suda.edu.cn; Kang, Zhenhui E-mail: lfang@suda.edu.cn; Wang, Junling

    2015-04-13

    Carbon quantum dots (CQDs) coated BiVO{sub 4} inverse opal (io-BiVO{sub 4}) structure that shows dramatic improvement of photoelectrochemical hydrogen generation has been fabricated using electrodeposition with a template. The io-BiVO{sub 4} maximizes photon trapping through slow light effect, while maintaining adequate surface area for effective redox reactions. CQDs are then incorporated to the io-BiVO{sub 4} to further improve the photoconversion efficiency. Due to the strong visible light absorption property of CQDs and enhanced separation of the photoexcited electrons, the CQDs coated io-BiVO{sub 4} exhibit a maximum photo-to-hydrogen conversion efficiency of 0.35%, which is 6 times higher than that of the pure BiVO{sub 4} thin films. This work is a good example of designing composite photoelectrode by combining quantum dots and photonic crystal.

  16. Carbon quantum dots coated BiVO4 inverse opals for enhanced photoelectrochemical hydrogen generation

    NASA Astrophysics Data System (ADS)

    Nan, Feng; Kang, Zhenhui; Wang, Junling; Shen, Mingrong; Fang, Liang

    2015-04-01

    Carbon quantum dots (CQDs) coated BiVO4 inverse opal (io-BiVO4) structure that shows dramatic improvement of photoelectrochemical hydrogen generation has been fabricated using electrodeposition with a template. The io-BiVO4 maximizes photon trapping through slow light effect, while maintaining adequate surface area for effective redox reactions. CQDs are then incorporated to the io-BiVO4 to further improve the photoconversion efficiency. Due to the strong visible light absorption property of CQDs and enhanced separation of the photoexcited electrons, the CQDs coated io-BiVO4 exhibit a maximum photo-to-hydrogen conversion efficiency of 0.35%, which is 6 times higher than that of the pure BiVO4 thin films. This work is a good example of designing composite photoelectrode by combining quantum dots and photonic crystal.

  17. The Interplay of Quantum Confinement and Hydrogenation in Amorphous Silicon Quantum Dots.

    PubMed

    Askari, Sadegh; Svrcek, Vladmir; Maguire, Paul; Mariotti, Davide

    2015-12-22

    Hydrogenation in amorphous silicon quantum dots (QDs) has a dramatic impact on the corresponding optical properties and band energy structure, leading to a quantum-confined composite material with unique characteristics. The synthesis of a-Si:H QDs is demonstrated with an atmospheric-pressure plasma process, which allows for accurate control of a highly chemically reactive non-equilibrium environment with temperatures well below the crystallization temperature of Si QDs. PMID:26523743

  18. Diamagnetic susceptibility of an off-center hydrogenic donor in pyramid-like and cone-like quantum dots

    NASA Astrophysics Data System (ADS)

    Avazzadeh, Z.; Bahramiyan, H.; Khordad, R.; Mohammadi, S. A.

    2016-04-01

    In this study, the diamagnetic susceptibility of an off-center hydrogenic donor impurity confined by pyramid and cone-like quantum dots has been investigated. To this end, the finite-element method and the Arnoldi algorithm are used to find energy eigenvalues and eigenvectors of the systems. Then, the effect of impurity position and dot size has been investigated on the diamagnetic susceptibility. We have found that the diamagnetic susceptibility has a maximum around the impurity position 4nm for two quantum dots. The diamagnetic susceptibility in the cone-like quantum dot is smaller than that in the pyramid quantum dot. Numerical studies reveal that the diamagnetic susceptibility depends strongly on the geometry of the dot.

  19. Effects of Temperature and Electric Field on the Coherence Time of a RbCl Parabolic Quantum Dot Qubit

    NASA Astrophysics Data System (ADS)

    Xiao, Wei; Xiao, Jing-Lin

    2016-06-01

    We study the effects of the temperature and electric field on the coherence time of a RbCl parabolic quantum dot (PQD) qubit by using the variational method of Pekar type, the Fermi Golden Rule and the quantum statistics theory (VMPTFGRQST). The ground and the first excited states' (GFES) eigenenergies and the eigenfunctions of an electron in the RbCl PQD with an applied electric field are derived. A single qubit can be realized in this two-level quantum system. It turns out that the coherence time is a decreasing function of the temperature and the electric field, whereas it is an increasing one of the effective confinement length (ECL). By changing the electric field, the temperature and the ECL one can adjust the coherence time. Our research results may be useful for the design and implementation of solid-state quantum computation.

  20. 40 CFR 266.107 - Standards to control hydrogen chloride (HCl) and chlorine gas (Cl2) emissions.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 28 2012-07-01 2012-07-01 false Standards to control hydrogen chloride... Industrial Furnaces § 266.107 Standards to control hydrogen chloride (HCl) and chlorine gas (Cl2) emissions. (a) General. The owner or operator must comply with the hydrogen chloride (HCl) and chlorine...

  1. 40 CFR 266.107 - Standards to control hydrogen chloride (HCl) and chlorine gas (Cl2) emissions.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 27 2011-07-01 2011-07-01 false Standards to control hydrogen chloride... Industrial Furnaces § 266.107 Standards to control hydrogen chloride (HCl) and chlorine gas (Cl2) emissions. (a) General. The owner or operator must comply with the hydrogen chloride (HCl) and chlorine...

  2. 40 CFR 266.107 - Standards to control hydrogen chloride (HCl) and chlorine gas (Cl2) emissions.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 28 2013-07-01 2013-07-01 false Standards to control hydrogen chloride... Industrial Furnaces § 266.107 Standards to control hydrogen chloride (HCl) and chlorine gas (Cl2) emissions. (a) General. The owner or operator must comply with the hydrogen chloride (HCl) and chlorine...

  3. 40 CFR 266.107 - Standards to control hydrogen chloride (HCl) and chlorine gas (Cl2) emissions.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 27 2014-07-01 2014-07-01 false Standards to control hydrogen chloride... Industrial Furnaces § 266.107 Standards to control hydrogen chloride (HCl) and chlorine gas (Cl2) emissions. (a) General. The owner or operator must comply with the hydrogen chloride (HCl) and chlorine...

  4. 40 CFR 266.107 - Standards to control hydrogen chloride (HCl) and chlorine gas (Cl2) emissions.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 26 2010-07-01 2010-07-01 false Standards to control hydrogen chloride... Industrial Furnaces § 266.107 Standards to control hydrogen chloride (HCl) and chlorine gas (Cl2) emissions. (a) General. The owner or operator must comply with the hydrogen chloride (HCl) and chlorine...

  5. Electromagnetically induced transparency in a spherical quantum dot with hydrogenic impurity in the external magnetic field

    NASA Astrophysics Data System (ADS)

    Pavlović, Vladan; Stevanović, Ljiljana

    2016-04-01

    In this paper we analyzed the realization of the electromagnetically induced transparency (EIT) effect in the spherical quantum dot with on-center hydrogenic impurity under the influence of the external magnetic field. Three energy levels of hydrogen impurity 1s0, 2p-1, and 3d-2, together with the probe and control laser fields, which induce σ- transitions between the given states, form a ladder configuration. Optical Bloch equations for such a system are solved in a stationary regime. Dependence of the susceptibility for such a system on the Rabi frequency of the control field, intensity of the external magnetic field, detuning of the control field, and decay rates coefficients are then discussed in detail. Finally, the explanation in dressed state picture is given.

  6. Carbon quantum dots as novel sensitizers for photoelectrochemical solar hydrogen generation and their size-dependent effect

    NASA Astrophysics Data System (ADS)

    Yu, Xuelian; Liu, Rongji; Zhang, Guangjin; Cao, Hongbin

    2013-08-01

    As a result of global energy needs, much research has been devoted to the conversion of solar energy to various usable forms, such as chemical energy in the form of hydrogen via water splitting. To make the conversion methods efficient, economically practical, and industrially scalable, sensitizers capable of utilizing visible and near infrared (IR) light need to be developed. Herein, water-soluble, colloidally stable carbon quantum dots (CQDs) are successfully synthesized by a facile one-step alkali-assisted electrochemical method. Owing to their broad visible light absorption, upconversion luminescence properties and efficient electron injection to TiO2, these CQDs can be used as the sensitizer for photoelectrochemical cells and show an optimized photocurrent of 1.2 mA cm-2 at 0 V versus Ag/AgCl under 100 mW cm-2 simulated sunlight. The above results indicate that the elementally abundant and environmentally friendly CQDs, as a novel sensitizer, can surely be employed to make full use of the visible spectrum of sunlight for their application in photovoltaic devices.

  7. Temperature effects on excited state of strong-coupling polaron in an asymmetric RbCl quantum dot

    NASA Astrophysics Data System (ADS)

    Feng, Li-Qin; Li, Jing-Qi; Xiao, Jing-Lin

    2015-01-01

    On the condition of strong electron-LO phonon coupling in an asymmetric RbCl quantum dot (QD), the first excited state energy (FESE), the excitation energy (EE), and the transition frequency (TF) between the first excited ground states (FEGS) of the polaron are calculated by using the linear combination operator and the unitary transformation methods. The variation of the FESE, the EE and the TF with the temperature, the transverse and longitudinal confinement strengths (TLCS) of the QD are studied in detail. We find that the FESE, the EE and the TF decreases (increases) with increasing temperature when the temperature is in lower (higher) temperature regime. They are increasing functions of the TLCS. We find three ways to tune the FESE, the EE and the TF via controlling the temperature and the TLCS.

  8. Effect of hydrogenic impurity on linear and nonlinear optical absorption coefficients and refractive index changes in a quantum dot

    NASA Astrophysics Data System (ADS)

    Guo, Kangxian; Zhang, Zhongmin; Mou, Sen; Xiao, Bo

    2015-05-01

    The analytical expressions of linear and nonlinear optical absorption coefficients and refractive index changes in a quantum dot with a hydrogenic impurity are obtained by using the compact-density-matrix approach and iterative method. The wave functions and the energy levels are obtained by using the variational method. Numerical results show that the optical absorption coefficients and refractive index changes are strongly affected by the hydrogenic impurity.

  9. Water electrolysis with a conducting carbon cloth: subthreshold hydrogen generation and superthreshold carbon quantum dot formation.

    PubMed

    Biswal, Mandakini; Deshpande, Aparna; Kelkar, Sarika; Ogale, Satishchandra

    2014-03-01

    A conducting carbon cloth, which has an interesting turbostratic microstructure and functional groups that are distinctly different from other ordered forms of carbon, such as graphite, graphene, and carbon nanotubes, was synthesized by a simple one-step pyrolysis of cellulose fabric. This turbostratic disorder and surface chemical functionalities had interesting consequences for water splitting and hydrogen generation when such a cloth was used as an electrode in the alkaline electrolysis process. Importantly, this work also gives a new twist to carbon-assisted electrolysis. During electrolysis, the active sites in the carbon cloth allow slow oxidation of its surface to transform the surface groups from COH to COOH and so forth at a voltage as low as 0.2 V in a two-electrode system, along with platinum as the cathode, instead of 1.23 V (plus overpotential), which is required for platinum, steel, or even graphite anodes. The quantity of subthreshold hydrogen evolved was 24 mL cm(-2)  h(-1) at 1 V. Interestingly, at a superthreshold potential (>1.23 V+overpotential), another remarkable phenomenon was found. At such voltages, along with the high rate and quantity of hydrogen evolution, rapid exfoliation of the tiny nanoscale (5-7 nm) units of carbon quantum dots (CQDs) are found in copious amounts due to an enhanced oxidation rate. These CQDs show bright-blue fluorescence under UV light. PMID:24492961

  10. Blue shifted hydrogen bond in 3-methylindole.CHX(3) complexes (X = Cl, F).

    PubMed

    Shirhatti, Pranav R; Wategaonkar, Sanjay

    2010-07-01

    Although the first experimental report on the blue shifted hydrogen bond in gas phase appeared about a decade ago, not many examples have been reported in the literature thereafter. Computational studies on systems exhibiting such blue shifted hydrogen bond however have been abundant since then. Many of these theoretical predictions remain to be verified experimentally. In this work we present an example of blue shifted hydrogen bond observed in the weakly bound complexes of 3-methylindole and CHX(3) (X = F, Cl). The complexes were prepared using the supersonic jet expansion method and studied using the laser spectroscopic methods. The key findings were that these complexes exhibit C-Hpi type hydrogen bonding interaction and the CH is bound to the phenyl part of the aromatic plane. The CH stretch was found to be blue shifted by 2 and 16 cm(-1) in the case of CHCl(3) and CHF(3), respectively. Ab initio calculations along with atoms-in-molecule analysis and natural bond orbital analysis support the experimental findings. The computed results at the DFT/MP2 level also indicated that the IR intensity of the H-bond donor CH-stretch increases by two to three orders of magnitude for the CHCl(3) complex whereas for the fluoroform complex the same decreases by an order of magnitude, which are consistent with the trend reported in the case of C-HO type of blue shifting hydrogen bonds. PMID:20407683

  11. Hydrolysis of CuCl{sub 2} in the Cu-Cl thermochemical cycle for hydrogen production : experimental studies using a spray reactor with an ultrasonic atomizer.

    SciTech Connect

    Ferrandon, M. S.; Lewis, M. A.; Alvarez, F.; Shafirovich, E.; Chemical Sciences and Engineering Division; Univ. of Texas at El Paso

    2010-03-01

    The Cu-Cl thermochemical cycle is being developed as a hydrogen production method. Prior proof-of-concept experimental work has shown that the chemistry is viable while preliminary modeling has shown that the efficiency and cost of hydrogen production have the potential to meet DOE's targets. However, the mechanisms of CuCl{sub 2} hydrolysis, an important step in the Cu-Cl cycle, are not fully understood. Although the stoichiometry of the hydrolysis reaction, 2CuCl{sub 2} + H{sub 2}O {leftrightarrow} Cu{sub 2}OCl{sub 2} + 2HCl, indicates a necessary steam-to-CuCl{sub 2} molar ratio of 0.5, a ratio as high as 23 has been typically required to obtain near 100% conversion of the CuCl{sub 2} to the desired products at atmospheric pressure. It is highly desirable to conduct this reaction with less excess steam to improve the process efficiency. Per Le Chatelier's Principle and according to the available equilibrium-based model, the needed amount of steam can be decreased by conducting the hydrolysis reaction at a reduced pressure. In the present work, the experimental setup was modified to allow CuCl{sub 2} hydrolysis in the pressure range of 0.4-1 atm. Chemical and XRD analyses of the product compositions revealed the optimal steam-to-CuCl{sub 2} molar ratio to be 20-23 at 1 atm pressure. The experiments at 0.4 atm and 0.7 atm showed that it is possible to lower the steam-to-CuCl{sub 2} molar ratio to 15, while still obtaining good yields of the desired products. An important effect of running the reaction at reduced pressure is the significant decrease of CuCl concentration in the solid products, which was not predicted by prior modeling. Possible explanations based on kinetics and residence times are suggested.

  12. Investigation of hydrogen plasma treatment for reducing defects in silicon quantum dot superlattice structure with amorphous silicon carbide matrix.

    PubMed

    Yamada, Shigeru; Kurokawa, Yasuyoshi; Miyajima, Shinsuke; Konagai, Makoto

    2014-01-01

    We investigate the effects of hydrogen plasma treatment (HPT) on the properties of silicon quantum dot superlattice films. Hydrogen introduced in the films efficiently passivates silicon and carbon dangling bonds at a treatment temperature of approximately 400°C. The total dangling bond density decreases from 1.1 × 1019 cm-3 to 3.7 × 1017 cm-3, which is comparable to the defect density of typical hydrogenated amorphous silicon carbide films. A damaged layer is found to form on the surface by HPT; this layer can be easily removed by reactive ion etching. PMID:24521208

  13. Investigation of hydrogen plasma treatment for reducing defects in silicon quantum dot superlattice structure with amorphous silicon carbide matrix

    PubMed Central

    2014-01-01

    We investigate the effects of hydrogen plasma treatment (HPT) on the properties of silicon quantum dot superlattice films. Hydrogen introduced in the films efficiently passivates silicon and carbon dangling bonds at a treatment temperature of approximately 400°C. The total dangling bond density decreases from 1.1 × 1019 cm-3 to 3.7 × 1017 cm-3, which is comparable to the defect density of typical hydrogenated amorphous silicon carbide films. A damaged layer is found to form on the surface by HPT; this layer can be easily removed by reactive ion etching. PMID:24521208

  14. Investigation of hydrogen plasma treatment for reducing defects in silicon quantum dot superlattice structure with amorphous silicon carbide matrix

    NASA Astrophysics Data System (ADS)

    Yamada, Shigeru; Kurokawa, Yasuyoshi; Miyajima, Shinsuke; Konagai, Makoto

    2014-02-01

    We investigate the effects of hydrogen plasma treatment (HPT) on the properties of silicon quantum dot superlattice films. Hydrogen introduced in the films efficiently passivates silicon and carbon dangling bonds at a treatment temperature of approximately 400°C. The total dangling bond density decreases from 1.1 × 1019 cm-3 to 3.7 × 1017 cm-3, which is comparable to the defect density of typical hydrogenated amorphous silicon carbide films. A damaged layer is found to form on the surface by HPT; this layer can be easily removed by reactive ion etching.

  15. Catalytic properties of RhCl[sub 3] [center dot] 3H[sub 2]O immobilized on the modified poly(styrene-divinylbenzene) copolymer in aqueous phase hydroformylation of propylene

    SciTech Connect

    Ro, K.S.; Woo, S.I. )

    1994-02-01

    RhCl[sub 3] [center dot] 3H[sub 2]O and RhCl(CO)(PPh[sub 3])[sub 2] were immobilized on the poly(styrene-divinylbenzene) copolymer (PS/DVB) containing -CH[sub 2]P(C[sub 6]H[sub 4]SO[sub 3]H)[sub 2] (DPPDS: diphenylphosphine disulfonate) groups to give active and stable hydroformylation catalysts in an aqueous phase. Solid-state [sup 31]P NMR spectra and FTIR analysis indicate that the structure of RhCl[sub 3] [center dot] 3H[sub 2]O immobilized on the PS/DVB containing DPPDS groups (Rh(III)/SPPS) is similar to that of RhCl(CO)(PPh[sub 3])[sub 2] immobilized on the same polymer (Rh(I)/SPPS). The hydroformylation of propylene using these catalysts (Rh(III)/SPPS) has been investigated at 373 K and in the pressure range between 5 and 40 atm in an aqueous phase. The rate of hydroformylation was approximately first order with respect to catalyst concentration and increased with the increase of propylene concentration up to 0.45 mol/liter. The rate also increased with the increase of hydrogen pressure. However, the rate of hydroformylation passed through a maximum with the increase of partial pressure of carbon monoxide. The activation energy of propylene hydroformylation catalyzed over Rh(III)/SPPS between 353 and 393 K was found to be 12.1 kcal/mol. Kinetic study with Rh(III)/SPPS containing various amounts of SO[sub 3]H group indicates that SO[sub 3]H groups play an important role in improving the catalytic activity in the aqueous phase hydroformylation. 18 refs., 11 figs., 2 tabs.

  16. Investigation of SRS conversion of XeCl laser emission in lead vapor, methane, and hydrogen

    SciTech Connect

    Mel'chenko, S.V.; Panchenko, A.N.; Tarasenko, V.F.; Evtushenko, G.S. )

    1994-01-01

    The rapid advances in the development of electric-discharge exciplex lasers and powerful effective sources of UV coherent radiation have uncovered far-reaching prospects for their practical use in various fields of sciences and engineering, such as microelectronics, medicine, ecology (remote detection of contamination in the atmosphere), photochemistry, plasma diagnostics, and others. The wavelength range in which high-power coherent radiation is possible can be greatly expanded by using stimulated Raman scattering (SRS) in metal vapor and compressed gases. This paper is devoted to an investigation of the optimal conditions of SRS-conversion of XeCl-laser emission in lead vapor, methane, and hydrogen.

  17. Reduction of hazards from copper(I) chloride in a Cu-Cl thermochemical hydrogen production plant.

    PubMed

    Ghandehariun, Samane; Wang, Zhaolin; Rosen, Marc A; Naterer, Greg F

    2012-08-30

    The copper-chlorine cycle of thermochemical water splitting, using various heat sources, is a promising technology for hydrogen production. The chemical hazards accompanying the new technology affect significantly the industrialization of the cycle, but have scarcely been examined. This paper addresses this need by examining the copper(I) chloride (CuCl) hazards that may be generated in the cycle. Regardless of the variations of Cu-Cl cycle, copper(I) chloride is always present, serving as an intermediate compound that may cause health concerns. In this paper, the CuCl hazards are quantified for each process from the generation source of the hazards along with the paths where the CuCl may be present. The processes of greatest relevance include oxygen production, heat recovery, solidification, and dissolution. The options for reducing the CuCl hazards in a Cu-Cl thermochemical hydrogen production plant are evaluated from the perspectives of variations of the Cu-Cl cycle, process integration, heat recovery, and equipment design. It is concluded that using the intake reactant Cu(2)OCl(2) for the oxygen production step to absorb CuCl vapor is the most preferable option compared with other alternatives such as absorbing CuCl vapor with water or CuCl(2), building additional structures inside the oxygen production reactor, and cooling the exiting gas at the outlet of the oxygen reactor. PMID:22749124

  18. Charge Transfer Dynamics in Semiconductor Quantum Dots Relevant to Solar Hydrogen Production

    NASA Astrophysics Data System (ADS)

    Krauss, Todd

    Artificial conversion of sunlight to chemical fuels has attracted attention for several decades as a potential source of clean, renewable energy. For example, in light-driven proton reduction to molecular hydrogen, a light-absorbing molecule (the photosensitizer) rapidly transfers a photoexcited electron to a catalyst for reducing protons. We recently found that CdSe quantum dots (QDs) and simple aqueous Ni2+ salts in the presence of a sacrificial electron donor form a highly efficient, active, and robust system for photochemical reduction of protons to molecular hydrogen. To understand why this system has such extraordinary catalytic behavior, ultrafast transient absorption (TA) spectroscopy studies of electron transfer (ET) processes from the QDs to the Ni catalysts were performed. CdSe QDs transfer photoexcited electrons to a Ni-dihydrolipoic acid (Ni-DHLA) catalyst complex extremely fast and with high efficiency. Even under high fluence, the relative fraction of TA signal due to ET remains well over 80%, and depopulation from exciton-exciton annihilation is minimal (6%). We also found that increasing QD size and/or shelling the core CdSe QDs with a shell of CdS slowed the ET rate, in agreement with the relative efficiency of photochemical H2 generation. The extremely fast ET provides a fundamental explanation for the exceptional photocatalytic H2 activity of the CdSe QD/Ni-DHLA system and guides new directions for further improvements.

  19. Enhanced photoelectric performance of PbS/CdS quantum dot co-sensitized solar cells via hydrogenated TiO2 nanorod arrays.

    PubMed

    Chen, Yanli; Tao, Qiang; Fu, Wuyou; Yang, Haibin; Zhou, Xiaoming; Su, Shi; Ding, Dong; Mu, Yannan; Li, Xue; Li, Minghui

    2014-08-28

    The enhanced photoelectric performance of quantum dot sensitized solar cells via hydrogenated TiO2 is proposed. The best energy conversion efficiency is 1.5 times higher than cells without hydrogen treatment. We demonstrated that introducing oxygen vacancies by hydrogenation is an effective and feasible method for enhanced photoelectric performance. PMID:25010989

  20. Efficient and limiting reactions in aqueous light-induced hydrogen evolution systems using molecular catalysts and quantum dots.

    PubMed

    Gimbert-Suriñach, Carolina; Albero, Josep; Stoll, Thibaut; Fortage, Jérôme; Collomb, Marie-Noëlle; Deronzier, Alain; Palomares, Emilio; Llobet, Antoni

    2014-05-28

    Hydrogen produced from water and solar energy holds much promise for decreasing the fossil fuel dependence. It has recently been proven that the use of quantum dots as light harvesters in combination with catalysts is a valuable strategy to obtain photogenerated hydrogen. However, the light to hydrogen conversion efficiency of these systems is reported to be lower than 40%. The low conversion efficiency is mainly due to losses occurring at the different interfacial charge-transfer reactions taking place in the multicomponent system during illumination. In this work we have analyzed all the involved reactions in the hydrogen evolution catalysis of a model system composed of CdTe quantum dots, a molecular cobalt catalyst and vitamin C as sacrificial electron donor. The results demonstrate that the electron transfer from the quantum dots to the catalyst occurs fast enough and efficiently (nanosecond time scale), while the back electron transfer and catalysis are much slower (millisecond and microsecond time scales). Further improvements of the photodriven proton reduction should focus on the catalytic rate enhancement, which should be at least in the hundreds of nanoseconds time scale. PMID:24799030

  1. Hydrogen generation from Al-NiCl2/NaBH4 mixture affected by lanthanum metal.

    PubMed

    Sun, Wen Qiang; Fan, Mei-Qiang; Fei, Yong; Pan, Hua; Wang, Liang Liang; Yao, Jun

    2012-01-01

    The effect of La on Al/NaBH(4) hydrolysis was elaborated in the present paper. Hydrogen generation amount increases but hydrogen generation rate decreases with La content increasing. There is an optimized composition that Al-15 wt% La-5 wt% NiCl(2)/NaBH(4) mixture (Al-15 wt% La-5 wt% NiCl(2)/NaBH(4) weight ratio, 1 : 3) has 126 mL g(-1 )min(-1) maximum hydrogen generation rate and 1764 mL g(-1) hydrogen generation amount within 60 min. The efficiency is 88%. Combined with NiCl(2), La has great effect on NaBH(4) hydrolysis but has little effect on Al hydrolysis. Increasing La content is helpful to decrease the particle size of Al-La-NiCl(2) in the milling process, which induces that the hydrolysis byproduct Ni(2)B is highly distributed into Al(OH)(3) and the catalytic reactivity of Ni(2)B/Al(OH)(3) is increased therefore. But hydrolysis byproduct La(OH)(3) deposits on Al surface and leads to some side effect. The Al-La-NiCl(2)/NaBH(4) mixture has good stability in low temperature and its hydrolytic performance can be improved with increasing global temperature. Therefore, the mixture has good safety and can be applied as on board hydrogen generation material. PMID:22619596

  2. Hydrogen Generation from Al-NiCl2/NaBH4 Mixture Affected by Lanthanum Metal

    PubMed Central

    Qiang Sun, Wen; Fan, Mei-Qiang; Fei, Yong; Pan, Hua; Wang, Liang Liang; Yao, Jun

    2012-01-01

    The effect of La on Al/NaBH4 hydrolysis was elaborated in the present paper. Hydrogen generation amount increases but hydrogen generation rate decreases with La content increasing. There is an optimized composition that Al-15 wt% La-5 wt% NiCl2/NaBH4 mixture (Al-15 wt% La-5 wt% NiCl2/NaBH4 weight ratio, 1 : 3) has 126 mL g−1 min−1 maximum hydrogen generation rate and 1764 mL g−1 hydrogen generation amount within 60 min. The efficiency is 88%. Combined with NiCl2, La has great effect on NaBH4 hydrolysis but has little effect on Al hydrolysis. Increasing La content is helpful to decrease the particle size of Al-La-NiCl2 in the milling process, which induces that the hydrolysis byproduct Ni2B is highly distributed into Al(OH)3 and the catalytic reactivity of Ni2B/Al(OH)3 is increased therefore. But hydrolysis byproduct La(OH)3 deposits on Al surface and leads to some side effect. The Al-La-NiCl2/NaBH4 mixture has good stability in low temperature and its hydrolytic performance can be improved with increasing global temperature. Therefore, the mixture has good safety and can be applied as on board hydrogen generation material. PMID:22619596

  3. Anomalous effect in a hydrogenic impurity in a spherical quantum dot under the influence of parallel electric and magnetic fields

    NASA Astrophysics Data System (ADS)

    Ho, Y. K.; Lin, Y. C.; Sahoo, S.

    2004-03-01

    We will present calculations for the energy levels and the resonance widths of the quasi-bound states of a confined hydrogenic impurity in an isolate quantum dot subjected to external electric and magnetic fields in parallel directions. A method of complex absorbing potential [1] is used in our present investigation. Resonance positions and widths are reported for a wide range of dot sizes to demonstrate that Stark resonances in a confined hydrogen atom leads to a new phenomenon as a consequence of the quantum confinement of the atom, contrary to the Stark effect on a free atom. * This work was supported by the National Science Council of ROC. [1] S. Sahoo and Y. K. Ho, Chin. J. Phys. 38, 127 (2000); J. Phys. B 33, 2195 (2000); J. Phys. B 33, 5151 (2000); Phys. Rev. A 65, 015403 (2001);

  4. Brightly Luminescent and Color-Tunable Colloidal CH3NH3PbX3 (X = Br, I, Cl) Quantum Dots: Potential Alternatives for Display Technology.

    PubMed

    Zhang, Feng; Zhong, Haizheng; Chen, Cheng; Wu, Xian-gang; Hu, Xiangmin; Huang, Hailong; Han, Junbo; Zou, Bingsuo; Dong, Yuping

    2015-04-28

    Organometal halide perovskites are inexpensive materials with desirable characteristics of color-tunable and narrow-band emissions for lighting and display technology, but they suffer from low photoluminescence quantum yields at low excitation fluencies. Here we developed a ligand-assisted reprecipitation strategy to fabricate brightly luminescent and color-tunable colloidal CH3NH3PbX3 (X = Br, I, Cl) quantum dots with absolute quantum yield up to 70% at room temperature and low excitation fluencies. To illustrate the photoluminescence enhancements in these quantum dots, we conducted comprehensive composition and surface characterizations and determined the time- and temperature-dependent photoluminescence spectra. Comparisons between small-sized CH3NH3PbBr3 quantum dots (average diameter 3.3 nm) and corresponding micrometer-sized bulk particles (2-8 μm) suggest that the intense increased photoluminescence quantum yield originates from the increase of exciton binding energy due to size reduction as well as proper chemical passivations of the Br-rich surface. We further demonstrated wide-color gamut white-light-emitting diodes using green emissive CH3NH3PbBr3 quantum dots and red emissive K2SiF6:Mn(4+) as color converters, providing enhanced color quality for display technology. Moreover, colloidal CH3NH3PbX3 quantum dots are expected to exhibit interesting nanoscale excitonic properties and also have other potential applications in lasers, electroluminescence devices, and optical sensors. PMID:25824283

  5. Interaction of a conjugated polyaromatic molecule with a single dangling bond quantum dot on a hydrogenated semiconductor.

    PubMed

    Godlewski, Szymon; Kolmer, Marek; Engelund, Mads; Kawai, Hiroyo; Zuzak, Rafal; Garcia-Lekue, Aran; Saeys, Mark; Echavarren, Antonio M; Joachim, Christian; Sanchez-Portal, Daniel; Szymonski, Marek

    2016-02-01

    Controlling the strength of the coupling between organic molecules and single atoms provides a powerful tool for tuning electronic properties of single-molecule devices. Here, using scanning tunneling microscopy and spectroscopy (STM/STS) supported by theoretical modeling, we study the interaction of a planar organic molecule (trinaphthylene) with a hydrogen-passivated Ge(001):H substrate and a single dangling bond quantum dot on that surface. The electronic structure of the molecule adsorbed on the hydrogen-passivated surface is similar to the gas phase structure and the measurements show that HOMO and LUMO states contribute to the STM filled and empty state images, respectively. Furthermore, we show that the electronic properties are not significantly affected when the molecule is attached to the single dangling bond, which is in contrast with the strong interaction of the molecule with a dangling bond dimer. Our results show that the dangling bond quantum dots could stabilize organic molecules on a hydrogenated semiconductor without affecting their originally designed gas phase electronic properties. Together with the ability to laterally manipulate the molecules on the surface, this will be advantageous in the construction of single-molecule devices, where the coupling and positioning of the molecules on the substrate could be tuned by a proper design of the surface quantum dot arrays, comprising both single and dimerized dangling bonds. PMID:26766161

  6. Solar hydrogen production using carbon quantum dots and a molecular nickel catalyst.

    PubMed

    Martindale, Benjamin C M; Hutton, Georgina A M; Caputo, Christine A; Reisner, Erwin

    2015-05-13

    Carbon quantum dots (CQDs) are established as excellent photosensitizers in combination with a molecular catalyst for solar light driven hydrogen production in aqueous solution. The inexpensive CQDs can be prepared by straightforward thermolysis of citric acid in a simple one-pot, multigram synthesis and are therefore scalable. The CQDs produced reducing equivalents under solar irradiation in a homogeneous photocatalytic system with a Ni-bis(diphosphine) catalyst, giving an activity of 398 μmolH2 (gCQD)(-1) h(-1) and a "per Ni catalyst" turnover frequency of 41 h(-1). The CQDs displayed activity in the visible region beyond λ > 455 nm and maintained their full photocatalytic activity for at least 1 day under full solar spectrum irradiation. A high quantum efficiency of 1.4% was recorded for the noble- and toxic-metal free photocatalytic system. Thus, CQDs are shown to be a highly sustainable light-absorbing material for photocatalytic schemes, which are not limited by cost, toxicity, or lack of scalability. The photocatalytic hybrid system was limited by the lifetime of the molecular catalyst, and intriguingly, no photocatalytic activity was observed using the CQDs and 3d transition metal salts or platinum precursors. This observation highlights the advantage of using a molecular catalyst over commonly used heterogeneous catalysts in this photocatalytic system. PMID:25864839

  7. Characterisation of potential barriers in a donor quantum dot defined by hydrogen resist lithography

    NASA Astrophysics Data System (ADS)

    Fuhrer, Andreas; Pascher, Nikola

    We use a four terminal donor quantum dot (QD) to characterize potential barriers between degenerately doped nanoscale contacts. The QD is fabricated by hydrogen resist lithography on Si(001) in combination with n-type doping from the gas-phase. The four contacts have different separations (d = 9, 12, 16 and 29 nm) to a central 6 nm x 6 nm island, leading to different tunnel- and capacitive coupling. We use cryogenic transport measurements in the Coulomb blockade regime to simultaneously probe current flow in the four terminals for various voltage configurations. The magnitude of the measured tunnelling currents as a function of applied bias and contact separation sets a limit of about 15 nm for tunnelling contacts and shows a strong increase of the barrier transmission with applied bias. Using a constant interaction picture we extract the mutual capacitances between the QD and the four contacts which are found to be in excellent agreement with numerically calculated values. Our results contribute to a better understanding of tunnelling barriers and gate electrodes in planar dopant devices and pave the way towards reliable quantum device fabrication at the atomic scale. Support from EU grants PAMS, SiSpin, SiAM and from Swiss NCCR QSIT is gratefully acknowledged.

  8. New amide-chloride phases in the Li-Al-N-H-Cl system: formation and hydrogen storage behaviour.

    PubMed

    Fernández Albanesi, L; Garroni, S; Enzo, S; Gennari, F C

    2016-04-01

    New amide-chloride phases were successfully synthesized by mechanical milling of the LiNH2-AlCl3 mixture at a molar ratio of 1 : 0.11 and further heating at 150 °C under argon (0.1 MPa) or under hydrogen pressure (0.7 MPa). Powder X-ray diffraction measurements as a function of milling time increase revealed that the milling of the LiNH2-0.11AlCl3 mixture results in the formation of a FCC solid solution with an excess of LiNH2. Subsequent heating of the LiNH2-0.11AlCl3 sample ball milled for 5 hours at 150 °C under argon or under hydrogen induces the appearance of an amide-chloride phase isostructural with cubic Li4(NH2)3Cl. This Li-Al-N-H-Cl phase transforms progressively into the trigonal phase after prolonged heating at 300 °C under hydrogen pressure. The thermal behaviour of the amide-chloride without and with LiH addition displays dissimilar decomposition pathways. The decomposition of amide-chloride alone involves the formation of ammonia and hydrogen from 120 to 300 °C. Conversely, the amide-chloride material in the presence of LiH only releases hydrogen avoiding the emission of ammonia. The resultant material is able to be rehydrogenated under moderate conditions (300 °C, 0.7 MPa H2), providing a new reversible hydrogen storage system. PMID:26939035

  9. Effect of Rasbha spin-orbit interaction on the ground state energy of a hydrogenic D{sup 0} complex in a Gaussian quantum dot

    SciTech Connect

    Boda, Aalu Kumar, D. Sanjeev; Chatterjee, Ashok; Mukhopadhyay, Soma

    2015-06-24

    The ground state energy of a hydrogenic D{sup 0} complex trapped in a three-dimensional GaAs quantum dot with Gaussian confinement is calculated variationally incorporating the effect of Rashba spin-orbit interaction. The results are obtained as a function of the quantum dot size and the Rashba spin-orbit interaction. The results show that the Rashba interaction reduces the ground state energy of the system.

  10. Towards visible light hydrogen generation: quantum dot-sensitization via efficient light harvesting of hybrid-TiO2.

    PubMed

    Kim, Kwanghyun; Kim, Myeong-Jong; Kim, Sun-I; Jang, Ji-Hyun

    2013-01-01

    We report pronounced enhancement of photoelectrochemical hydrogen generation of a quantum dot-sensitized hybrid-TiO2 (QD/H-TiO2) electrode that is composed of a mesoporous TiO2 layer sandwiched by a double sided energy harvesting layer consisting of a surface-textured TiO2 inverse opals layer on the bottom and a patterned mesoporous TiO2 layer on the top. CdSe/H-TiO2 exhibits a maximum photocurrent density of ~16.2 mA/cm(2), which is 35% higher than that of the optimized control sample (CdSe/P25), achieved by matching of the bandgap of quantum dot-sensitization with the wavelength where light harvesting of H-TiO2 is observed. Furthermore, CdSe/H-TiO2 under filtered exposure conditions recorded current density of ~14.2 mA/cm(2), the greatest value in the visible range. The excellent performance of the quantum dot-sensitized H-TiO2 suggests that alteration of the photoelectrodes to suitable nanostructures with excellent light absorption may offer optimal strategies for attaining maximum efficiency in a variety of photoconversion systems. PMID:24270426

  11. Towards Visible Light Hydrogen Generation: Quantum Dot-Sensitization via Efficient Light Harvesting of Hybrid-TiO2

    NASA Astrophysics Data System (ADS)

    Kim, Kwanghyun; Kim, Myeong-Jong; Kim, Sun-I.; Jang, Ji-Hyun

    2013-11-01

    We report pronounced enhancement of photoelectrochemical hydrogen generation of a quantum dot-sensitized hybrid-TiO2 (QD/H-TiO2) electrode that is composed of a mesoporous TiO2 layer sandwiched by a double sided energy harvesting layer consisting of a surface-textured TiO2 inverse opals layer on the bottom and a patterned mesoporous TiO2 layer on the top. CdSe/H-TiO2 exhibits a maximum photocurrent density of ~16.2 mA/cm2, which is 35% higher than that of the optimized control sample (CdSe/P25), achieved by matching of the bandgap of quantum dot-sensitization with the wavelength where light harvesting of H-TiO2 is observed. Furthermore, CdSe/H-TiO2 under filtered exposure conditions recorded current density of ~14.2 mA/cm2, the greatest value in the visible range. The excellent performance of the quantum dot-sensitized H-TiO2 suggests that alteration of the photoelectrodes to suitable nanostructures with excellent light absorption may offer optimal strategies for attaining maximum efficiency in a variety of photoconversion systems.

  12. In situ growth of surfactant-free gold nanoparticles on nitrogen-doped graphene quantum dots for electrochemical detection of hydrogen peroxide in biological environments.

    PubMed

    Ju, Jian; Chen, Wei

    2015-02-01

    In this work, we report a green and simple strategy for the in situ growth of surfactant-free Au nanoparticles (Au NPs) on nitrogen-doped graphene quantum dots (Au NPs-N-GQDs). The formation of hybrid was achieved by just mixing the N-GQDs and HAuCl4·4H2O without addition of any other reductant and surfactant. High-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) characterizations clearly showed the formation of Au nanoparticles with predominantly exposed (111) facets which can provide more adsorption sites. Such nonsurfactant-capped Au NPs can provide naked catalytic surface with highly electrocatalytic activity. The Au NPs-N-GQDs exhibit high sensitivity and selectivity for electrochemical detection of hydrogen peroxide (H2O2) with a low detection limit of 0.12 μM and sensitivity of 186.22 μA/mM cm(2). Importantly, the Au NPs-N-GQDs-based electrochemical biosensor has shown great potential applications for detection of H2O2 levels in human serum samples and that released from human cervical cancer cells with satisfactory results. The present study demonstrates that such novel Au NPs-N-GQDs nanocomposite is promising for fabrication of nonenzymatic H2O2 biosensors. PMID:25533846

  13. ZnO-dotted porous ZnS cluster microspheres for high efficient, Pt-free photocatalytic hydrogen evolution

    PubMed Central

    Wu, Aiping; Jing, Liqiang; Wang, Jianqiang; Qu, Yang; Xie, Ying; Jiang, Baojiang; Tian, Chungui; Fu, Honggang

    2015-01-01

    The Pt-free photocatalytic hydrogen evolution (PHE) has been the focus in the photocatalysis field. Here, the ZnO-dotted porous ZnS cluster microsphere (PCMS) is designed for high efficient, Pt-free PHE. The PCMS is designed through an easy “controlling competitive reaction” strategy by selecting the thiourea as S2− source and Zn(Ac)2·2H2O as Zn source in ethylene glycol medium. Under suitable conditions, one of the PCMS, named PCMS-1, with high SBET specific area of 194 m2g−1, microsphere size of 100 nm and grain size of 3 nm can be obtained. The formation of PCMS is verified by TEM, XAES, XPS, Raman and IR methods. Importantly, a series of the experiments and theoretical calculation demonstrate that the dotting of ZnO not only makes the photo-generated electrons/hole separate efficiently, but also results in the formation of the active catalytic sites for PHE. As a result, the PCMS-1 shows the promising activity up to 367 μmol h−1 under Pt-free condition. The PHE activity has no obvious change after addition 1 wt.% Pt, implying the presence of active catalytic sites for hydrogen evolution in the PCMS-1. The easy synthesis process, low preparation cost of the PCMS makes their large potential for Pt-free PHE. PMID:25748688

  14. ZnO-dotted porous ZnS cluster microspheres for high efficient, Pt-free photocatalytic hydrogen evolution

    NASA Astrophysics Data System (ADS)

    Wu, Aiping; Jing, Liqiang; Wang, Jianqiang; Qu, Yang; Xie, Ying; Jiang, Baojiang; Tian, Chungui; Fu, Honggang

    2015-03-01

    The Pt-free photocatalytic hydrogen evolution (PHE) has been the focus in the photocatalysis field. Here, the ZnO-dotted porous ZnS cluster microsphere (PCMS) is designed for high efficient, Pt-free PHE. The PCMS is designed through an easy ``controlling competitive reaction'' strategy by selecting the thiourea as S2- source and Zn(Ac)2.2H2O as Zn source in ethylene glycol medium. Under suitable conditions, one of the PCMS, named PCMS-1, with high SBET specific area of 194 m2g-1, microsphere size of 100 nm and grain size of 3 nm can be obtained. The formation of PCMS is verified by TEM, XAES, XPS, Raman and IR methods. Importantly, a series of the experiments and theoretical calculation demonstrate that the dotting of ZnO not only makes the photo-generated electrons/hole separate efficiently, but also results in the formation of the active catalytic sites for PHE. As a result, the PCMS-1 shows the promising activity up to 367 μmol h-1 under Pt-free condition. The PHE activity has no obvious change after addition 1 wt.% Pt, implying the presence of active catalytic sites for hydrogen evolution in the PCMS-1. The easy synthesis process, low preparation cost of the PCMS makes their large potential for Pt-free PHE.

  15. Selective conversion of polyenes to monoenes by RuCl(3) -catalyzed transfer hydrogenation: the case of cashew nutshell liquid.

    PubMed

    Perdriau, Sébastien; Harder, Sjoerd; Heeres, Hero J; de Vries, Johannes G

    2012-12-01

    Cardanol, a constituent of cashew nutshell liquid (CNSL), was subjected to transfer hydrogenation catalyzed by RuCl(3) using isopropanol as a reductant. The side chain of cardanol, which is a mixture of a triene, a diene, and a monoene, was selectively reduced to the monoene. Surprisingly, it is the C8-C9 double bond that is retained with high selectivity. A similar transfer hydrogenation of linoleic acid derivatives succeeded only if the substrate contained an aromatic ring, such as a benzyl ester. TEM and a negative mercury test showed that the catalyst was homogeneous. By using ESI-MS, ruthenium complexes were identified that contained one, two, or even three molecules of substrate, most likely as allyl complexes. The interaction between ruthenium and the aromatic ring determines selectivity in the hydrogenation reaction. PMID:23060315

  16. Hydrogen role in stress corrosion cracking process of iron aluminide Fe{sub 3}Al in NaCl solution

    SciTech Connect

    Chiu, H.; Qiao, L.; Mao, X.

    1995-09-01

    The stress corrosion cracking behavior of Fe3AI based intermetallic alloy in 3.5% NaCl solution was studied. The role of hydrogen in the cracking process was also defined. The susceptibility of the alloy to hydrogen embrittlement was first investigated by performing tensile tests in air environment and mineral oil. It was found that ductility increased with increasing strain rate when tested in air, but stayed at a high value when tested in mineral oil. This behavior indicates that the alloy is sensitive to hydrogen embrittlement in air. In 3.5% NaCl solution, the environmental effect was studied by slow strain rate tests that were done at electrochemical potentials ranging from {minus}1,000 mV to 0 mV vs SCE. When tested at anodic potentials, from {minus}500 mV to 0 mV vs SCE, ductility reduced from 8.7% to 3.9%. When tested in cathodic region, from {minus}500 mV to {minus}1,000 mV, the ductility was between 7.3% to 9.1%. Results of tests done on pre-immersed specimens and notched tensile specimens confirmed this material degradation to be caused by stress corrosion cracking (SCC). To identify the mechanism, an electrochemical permeation technique was employed. By measuring the diffusible hydrogen concentration, sensitivity to hydrogen embrittlement has been assessed at different potentials. Anodic dissolution is believed to be the controlling mechanism of the SCC as the alloy is less sensitive to hydrogen embrittlement at anodic potentials. Fracture surfaces were examined under the scanning electron microscope (SEM). Fracture mode was found to be mainly transgranular quasi-cleavage, except the ones tested at anodic potentials on which intergranular fracture area was found near the edge. This intergranular fracture, which increases with increasing anodic potential, is believed to be the stress corrosion cracking area. Pits which corroded intergranularly are the crack initiation sites.

  17. Optical rectification coefficient of a two-dimensional parabolic quantum dot: Effects of hydrogenic impurity, external fields, hydrostatic pressure and temperature

    NASA Astrophysics Data System (ADS)

    Rezaei, G.; Kish, S. Shojaeian; Vaseghi, B.; Taghizadeh, S. F.

    2014-10-01

    Simultaneous effects of hydrogenic impurity, hydrostatic pressure, temperature and external electric and magnetic fields on the intersubband optical rectification coefficient of a two-dimensional parabolic quantum dot are studied. Energy eigenvalues and eigenvectors are calculated using the direct matrix diagonalization method and optical rectification coefficient is obtained via the compact density matrix approach. The results indicate that the optical rectification coefficient is affected by the hydrogenic impurity, hydrostatic pressure, temperature and external fields.

  18. Photocatalytic hydrogen evolution from glycerol and water over nickel-hybrid cadmium sulfide quantum dots under visible-light irradiation.

    PubMed

    Wang, Jiu-Ju; Li, Zhi-Jun; Li, Xu-Bing; Fan, Xiang-Bing; Meng, Qing-Yuan; Yu, Shan; Li, Cheng-Bo; Li, Jia-Xin; Tung, Chen-Ho; Wu, Li-Zhu

    2014-05-01

    Natural photosynthesis offers the concept of storing sunlight in chemical form as hydrogen (H2), using biomass and water. Herein we describe a robust artificial photocatalyst, nickel-hybrid CdS quantum dots (Nih-CdS QDs) made in situ from nickel salts and CdS QDs stabilized by 3-mercaptopropionic acid, for visible-light-driven H2 evolution from glycerol and water. With visible light irradiation for 20 h, 403.2 μmol of H2 was obtained with a high H2 evolution rate of approximately 74.6 μmol h(-1)  mg(-1) and a high turnover number of 38 405 compared to MPA-CdS QDs (mercaptopropionic-acid-stabilized CdS quantum dots). Compared to CdTe QDs and CdSe QDs, the modified CdS QDs show the greatest affinity toward Ni(2+) ions and the highest activity for H2 evolution. X-ray photoelectron spectroscopy (XPS), inductively-coupled plasma atomic emission spectrometry (ICP-AES), and photophysical studies reveal the chemical nature of the Nih-CdS QDs. Electron paramagnetic resonance (EPR) and terephthalate fluorescence measurements clearly demonstrate water splitting to generate ⋅OH radicals. The detection of DMPO-H and DMPO-C radicals adduct in EPR also indicate that ⋅H radicals and ⋅C radicals are the active species in the catalytic cycle. PMID:24692310

  19. Enriching Photoelectrons via Three Transition Channels in Amino-Conjugated Carbon Quantum Dots to Boost Photocatalytic Hydrogen Generation.

    PubMed

    Xu, Xiaoyong; Bao, Zhijia; Zhou, Gang; Zeng, Haibo; Hu, Jingguo

    2016-06-01

    Well-steered transport of photogenerated carriers in optoelectronic systems underlies many emerging solar conversion technologies, yet assessing the charge transition route in nanomaterials remains a challenge. Herein, we combine the photoinduced absorption, emission, and excitation properties in high luminescent carbon quantum dots (CQDs) with an amino-modified surface to identify the existence of three photoelectron transition channels, that is, near-band-edge transition, multiphoton active transition in CQDs, and transfer from amino groups to CQDs, and together they contribute to strong blue photoluminescence (PL) independent of the excitation wavelength. Moreover, the enriching electron reservoir via these three channels was demonstrated in a holes cleaning environment to efficiently trigger water splitting into hydrogen with excellent stability and recyclability. PMID:27191031

  20. A highly efficient noble metal free photocatalytic hydrogen evolution system containing MoP and CdS quantum dots.

    PubMed

    Yin, Shengming; Han, Jianyu; Zou, Yinjun; Zhou, Tianhua; Xu, Rong

    2016-08-14

    We report the construction of a highly efficient noble metal free photocatalytic hydrogen (H2) evolution system using CdS quantum dots as the light absorber and metallic MoP as the cocatalyst. MoP can be prepared by a facile temperature programmed reduction method and small clusters of MoP nanoparticles sized 10-30 nm were obtained by probe ultrasonication. The effect of synthesis conditions on the electrocatalytic and photocatalytic H2 evolution activity of MoP was investigated. The highest H2 evolution rate of 1100 μmol h(-1) can be achieved by the optimized system under visible light (λ≥ 420 nm), which is comparable to that when Pt was used as the cocatalyst. A high quantum efficiency of 45% is obtained at 460 nm irradiation. PMID:27406067

  1. The role of a TiCl4 treatment on the performance of CdS quantum-dot-sensitized solar cells

    NASA Astrophysics Data System (ADS)

    Kim, Jongmin; Choi, Hongsik; Nahm, Changwoo; Kim, Chohui; Nam, Seunghoon; Kang, Suji; Jung, Dae-Ryong; Kim, Jae Ik; Kang, Joonhyeon; Park, Byungwoo

    2012-12-01

    To investigate the interface of TiO2/CdS/polysulfide-electrolyte in CdS quantum-dot-sensitized solar cells (QDSCs), a thin TiO2-coating layer is deposited onto a nanocrystalline TiO2 electrode by TiCl4. This nanoscale coating enhances the power-conversion efficiency by ∼40% compared with a bare CdS-sensitized solar cell. The main contribution to the efficiency enhancement lies in the reduced recombination rate at the TiO2/polysulfide-electrolyte interface by passivating the surface defects, as confirmed by the open-circuit decay, electrochemical impedance, and chronoamperometry. While the amount of CdS sensitizer remains the same with the coating layer, the optimum coating thickness demonstrates that electrolyte diffusion is another factor affecting the performance of QDSCs.

  2. Effects of the large distribution of CdS quantum dot sizes on the charge transfer interactions into TiO2 nanotubes for photocatalytic hydrogen generation.

    PubMed

    González-Moya, Johan R; Garcia-Basabe, Yunier; Rocco, Maria Luiza M; Pereira, Marcelo B; Princival, Jefferson L; Almeida, Luciano C; Araújo, Carlos M; David, Denis G F; da Silva, Antonio Ferreira; Machado, Giovanna

    2016-07-15

    Hydrogen fuels generated by water splitting using a photocatalyst and solar irradiation are currently gaining the strength to diversify the world energy matrix in a green way. CdS quantum dots have revealed a hydrogen generation improvement when added to TiO2 materials under visible-light irradiation. In the present paper, we investigated the performance of TiO2 nanotubes coupled with CdS quantum dots, by a molecular bifunctional linker, on photocatalytic hydrogen generation. TiO2 nanotubes were obtained by anodization of Ti foil, followed by annealing to crystallize the nanotubes into the anatase phase. Afterwards, the samples were sensitized with CdS quantum dots via an in situ hydrothermal route using 3-mercaptopropionic acid as the capping agent. This sensitization technique permits high loading and uniform distribution of CdS quantum dots onto TiO2 nanotubes. The XPS depth profile showed that CdS concentration remains almost unchanged (homogeneous), while the concentration relative to the sulfate anion decreases by more than 80% with respect to the initial value after ∼100 nm in depth. The presence of sulfate anions is due to the oxidation of sulfide and occurs in greater proportion in the material surface. This protection for air oxidation inside the nanotubular matrix seemingly protected the CdS for photocorrosion in sacrificial solution leading to good stability properties proved by long duration, stable photocurrent measurements. The effect of the size and the distribution of sizes of CdS quantum dots attached to TiO2 nanotubes on the photocatalytic hydrogen generation were investigated. The experimental results showed three different behaviors when the reaction time of CdS synthesis was increased in the sensitized samples, i.e. similar, deactivation and activation effects on the hydrogen production with regard to TiO2 nanotubes. The deactivation effect was related to two populations of sizes of CdS, where the population with a shorter band gap acts as a

  3. Effects of the large distribution of CdS quantum dot sizes on the charge transfer interactions into TiO2 nanotubes for photocatalytic hydrogen generation

    NASA Astrophysics Data System (ADS)

    González-Moya, Johan R.; Garcia-Basabe, Yunier; Rocco, Maria Luiza M.; Pereira, Marcelo B.; Princival, Jefferson L.; Almeida, Luciano C.; Araújo, Carlos M.; David, Denis G. F.; Ferreira da Silva, Antonio; Machado, Giovanna

    2016-07-01

    Hydrogen fuels generated by water splitting using a photocatalyst and solar irradiation are currently gaining the strength to diversify the world energy matrix in a green way. CdS quantum dots have revealed a hydrogen generation improvement when added to TiO2 materials under visible-light irradiation. In the present paper, we investigated the performance of TiO2 nanotubes coupled with CdS quantum dots, by a molecular bifunctional linker, on photocatalytic hydrogen generation. TiO2 nanotubes were obtained by anodization of Ti foil, followed by annealing to crystallize the nanotubes into the anatase phase. Afterwards, the samples were sensitized with CdS quantum dots via an in situ hydrothermal route using 3-mercaptopropionic acid as the capping agent. This sensitization technique permits high loading and uniform distribution of CdS quantum dots onto TiO2 nanotubes. The XPS depth profile showed that CdS concentration remains almost unchanged (homogeneous), while the concentration relative to the sulfate anion decreases by more than 80% with respect to the initial value after ∼100 nm in depth. The presence of sulfate anions is due to the oxidation of sulfide and occurs in greater proportion in the material surface. This protection for air oxidation inside the nanotubular matrix seemingly protected the CdS for photocorrosion in sacrificial solution leading to good stability properties proved by long duration, stable photocurrent measurements. The effect of the size and the distribution of sizes of CdS quantum dots attached to TiO2 nanotubes on the photocatalytic hydrogen generation were investigated. The experimental results showed three different behaviors when the reaction time of CdS synthesis was increased in the sensitized samples, i.e. similar, deactivation and activation effects on the hydrogen production with regard to TiO2 nanotubes. The deactivation effect was related to two populations of sizes of CdS, where the population with a shorter band gap acts as a

  4. The chemistry of boron and titanium diboride formation: Decomposition of TiCl{sub 4} and BCl{sub 3} in hydrogen and helium

    SciTech Connect

    Osterheld, T.H.; Allendorf, M.D.

    1995-12-01

    Measurements of the decomposition of mixtures of boron trichloride (BCl{sub 3}), titanium tetrachloride (TiCl{sub 4}), and hydrogen at elevated temperatures are presented. The decomposition of BCl{sub 3} with hydrogen appears to drive the chemistry in this system. The species depositing boron on the surface contains at least 2 chlorine atoms. Once deposited, the surface chlorine is removed by reaction with hydrogen to form HCl and, presumably, surface B-H bonds.

  5. Temperature-Dependent Exciton and Trap-Related Photoluminescence of CdTe Quantum Dots Embedded in a NaCl Matrix: Implication in Thermometry.

    PubMed

    Kalytchuk, Sergii; Zhovtiuk, Olga; Kershaw, Stephen V; Zbořil, Radek; Rogach, Andrey L

    2016-01-27

    Temperature-dependent optical studies of semiconductor quantum dots (QDs) are fundamentally important for a variety of sensing and imaging applications. The steady-state and time-resolved photoluminescence properties of CdTe QDs in the size range from 2.3 to 3.1 nm embedded into a protective matrix of NaCl are studied as a function of temperature from 80 to 360 K. The temperature coefficient is found to be strongly dependent on QD size, with the highest sensitivity obtained for the smallest size of QDs. The emission from solid-state CdTe QD-based powders is maintained with high color purity over a wide range of temperatures. Photoluminescence lifetime data suggest that temperature dependence of the intrinsic radiative lifetime in CdTe QDs is rather weak, and it is mostly the temperature-dependent nonradiative decay of CdTe QDs which is responsible for the thermal quenching of photoluminescence intensity. By virtue of the temperature-dependent photoluminescence behavior, high color purity, photostability, and high photoluminescence quantum yield (26%-37% in the solid state), CdTe QDs embedded in NaCl matrices are useful solid-state probes for thermal imaging and sensing over a wide range of temperatures within a number of detection schemes and outstanding sensitivity, such as luminescence thermochromic imaging, ratiometric luminescence, and luminescence lifetime thermal sensing. PMID:26618345

  6. Fluorescence enhancement of CdTe MPA-capped quantum dots by glutathione for hydrogen peroxide determination.

    PubMed

    Rodrigues, S Sofia M; Ribeiro, David S M; Molina-Garcia, L; Ruiz Medina, A; Prior, João A V; Santos, João L M

    2014-05-01

    The manipulation of the surface chemistry of semiconductor nanocrystals has been exploited to implement distinct sensing strategies in many analytical applications. In this work, reduced glutathione (GSH) was added at reaction time, as an electron-donor ligand, to markedly increase the quantum yield and the emission efficiency of MPA-capped CdTe quantum dots. The developed approach was employed in the implementation of an automated flow methodology for hydrogen peroxide determination, as this can oxidize GSH preventing its surface passivating effect and producing a manifest fluorescence quenching. After optimization, linear working calibration curve for hydrogen peroxide concentrations between 0.0025% and 0.040% were obtained (n=6), with a correlation coefficient of 0.9975. The detection limit was approximately 0.0012%. The developed approach was employed in the determination of H₂O₂ in contact lens preservation solutions and the obtained results complied with those furnished by the reference method, with relative deviations comprised between -1.18 and 4.81%. PMID:24720978

  7. Hydrogen Sulfide Inhibits the Development of Atherosclerosis with Suppressing CX3CR1 and CX3CL1 Expression

    PubMed Central

    Wu, Duojiao; Zhang, Alian; Gu, Ting; Wang, Liansheng; Wang, Changqian

    2012-01-01

    Hydrogen sulfide, as a novel gaseous mediator, has been suggested to play a key role in atherogenesis. However, the precise mechanisms by which H2S affects atherosclerosis remain unclear. Therefore, the present study aimed to investigate the potential role of H2S in atherosclerosis and the underlying mechanism with respect to chemokines (CCL2, CCL5 and CX3CL1) and chemokine receptors (CCR2, CCR5, and CX3CR1) in macrophages. Mouse macrophage cell line RAW 264.7 or mouse peritoneal macrophages were pre-incubated with saline or NaHS (50 µM, 100 µM, 200 µM), an H2S donor, and then stimulated with interferon-γ (IFN-γ) or lipopolysaccharide (LPS). It was found that NaHS dose-dependently inhibited IFN-γ or LPS-induced CX3CR1 and CX3CL1 expression, as well as CX3CR1-mediated chemotaxis in macrophages. Overexpression of cystathionine γ-lyase (CSE), an enzyme that catalyzes H2S biosynthesis resulted in a significant reduction in CX3CR1 and CX3CL1 expression as well as CX3CR1-mediated chemotaxis in stimulated macrophages. The inhibitory effect of H2S on CX3CR1 and CX3CL1 expression was mediated by modulation of proliferators-activated receptor-γ (PPAR-γ) and NF-κB pathway. Furthermore, male apoE−/− mice were fed a high-fat diet and then randomly given NaHS (1 mg/kg, i.p., daily) or DL-propargylglycine (PAG, 10 mg/kg, i.p., daily). NaHS significantly inhibited aortic CX3CR1 and CX3CL1 expression and impeded aortic plaque development. NaHS had a better anti-atherogenic benefit when it was applied at the early stage of atherosclerosis. However, inhibition of H2S formation by PAG increased aortic CX3CR1 and CX3CL1 expression and exacerbated the extent of atherosclerosis. In addition, H2S had minimal effect on the expression of CCL2, CCL5, CCR2 and CCR5 in vitro and in vivo. In conclusion, these data indicate that H2S hampers the progression of atherosclerosis in fat-fed apoE−/− mice and downregulates CX3CR1 and CX3CL1 expression on macrophages and in lesion

  8. Infrared studies of ortho-para conversion at Cl-atom and H-atom impurity centers in cryogenic solid hydrogen

    NASA Astrophysics Data System (ADS)

    Raston, P. L.; Kettwich, S. C.; Anderson, D. T.

    2010-05-01

    We report infrared spectroscopic studies of H2 ortho-para (o/p) conversion in solid hydrogen doped with Cl-atoms at 2K while the Cl +H2 (v=1)→HCl+H infrared-induced chemical reaction is occurring. The Cl-atom doped hydrogen crystals are synthesized using 355nm in situ photodissociation of Cl2 precursor molecules. For hydrogen solids with high ortho-H2 fractional concentrations (Xo=0.55), the o/p conversion kinetics is dominated by Cl-atom catalyzed conversion with a catalyzed conversion rate constant Kcc=1.16(11)min-1 and the process is rate-limited by ortho-H2 quantum diffusion. For hydrogen crystals with low ortho-H2 concentrations (Xo=0.03), single-exponential decay of the ortho-H2 concentration with time is observed which is attributed to H-atom catalyzed o/p conversion by the H-atoms produced during the infrared-induced Cl +H2 reaction. The measured H-atom catalyzed o/p conversion kinetics indicates the H-atoms are mobile under these conditions in agreement with previous ESR measurements.

  9. Diphosphine- and CO-Induced Fragmentation of Chloride-bridged Dinuclear Complex and Cp*Ir(mu-Cl)(3)Re(CO)(3) and Attempted Synthesis of Cp*Ir(mu-Cl)(3)Mn(CO)(3): Spectroscopic Data and X-ray Diffraction Structures of the Pentamethylcyclopentadienyl Compounds [Cp*IrCl{(Z)-Ph2PCH = CHPPh2}][Cl]center dot 2CHCl(3) and Cp*Ir(CO)Cl-2

    SciTech Connect

    Hammons, Casey; Wang, Xiaoping; Nesterov, Vladimir; Richmond, Michael G.

    2010-01-01

    The confacial bioctahedral compound Cp*Ir(mu-Cl)(3)Re(CO)(3) (1) undergoes rapid fragmentation in the presence of the unsaturated diphosphine ligand (Z)-Ph2PCH = CHPPh2 to give the mononuclear compounds [Cp*IrCl {(Z)-Ph2PCH = CHPPh2}][Cl] (2) and fac-ClRe(CO)(3)[(Z)-Ph2PCH = CHPPh2] (3). 2 has been characterized by H-1 and P-31 NMR spectroscopy and X-ray diffraction analysis. 2 center dot 2CHCl(3) crystallizes in the monoclinic space group C2/c, a = 35.023 (8) angstrom, b = 10.189 (2) angstrom, c = 24.003 (6) angstrom, b = 103.340 (3), V = 8,335 (3) angstrom 3, Z = 8, and d(calc) = 1.647 Mg/m(3); R = 0.0383, R-w = 0.1135 for 8,178 reflections with I> 2 sigma(I). The Ir(III) center in 2 exhibits a six-coordinate geometry and displays a chelating diphosphine group. Compound 1 reacts with added CO with fragmentation to yield the known compounds Cp*Ir(CO)Cl-2 (4) and ClRe(CO)(5) (5) in near quantitative yield by IR spectroscopy. Using the protocol established by our groups for the synthesis of 1, we have explored the reaction of [Cp*IrCl2](2) with ClMn(CO)(5) as a potential route to Cp*Ir(mu-Cl)(3)Mn(CO)(3); unfortunately, 4 was the only product isolated from this reaction. The solid-state structure of 4 was determined by X-ray diffraction analysis. 4 crystallizes in the triclinic space group P-1, a = 7.4059 (4) angstrom, b = 7.8940 (4) angstrom, c = 11.8488 (7) angstrom, alpha = 80.020 (1), beta = 79.758 (1), gamma = 68.631 (1), V = 630.34 (6) angstrom(3), Z = 2, and d(calc) = 2.246 Mg/m(3); R = 0.0126, R-w = 0.0329 for 2,754 reflections with I> 2 sigma(I). The expected three-legged piano-stool geometry in 4 has been crystallographically confirmed.

  10. Hydrogen and oxygen isotope fractionation between brucite and aqueous NaCl solutions from 250 to 450°C

    USGS Publications Warehouse

    Saccocia, Peter J.; Seewald, Jeffrey S.; Shanks, Wayne C., III

    1998-01-01

    Hydrogen and oxygen isotope fractionation factors between brucite and aqueous NaCl solutions (1000lnαbr-sw) have been calibrated by experiment from 250 to 450°C at 0.5 Kb. For D/H fractionation, 1000lnα br-sw values are as follows: −32 ± 6‰ (250°C, 3.2 wt% NaCl), −21 ± 2‰ (350°C, 10.0 wt% NaCl), and −22 ± 2‰ (450°C, 3.2 wt% NaCl), indicating that brucite is depleted in D relative to coexisting aqueous NaCl solutions. These results are in good agreement with previous D/H fractionation factors determined in the brucite-water system, indicating that any effects of dissolved salt on D/H fractionation are relatively small, particularly in solutions with near seawater salinity. The maximum salt effect (+4‰) was observed in 10.0 wt% NaCl solutions at 350°C, suggesting that the addition of dissolved NaCl increases the amount of deuterium fractionated into mineral structures. For 18O/16O fractionation, 1000lnαbr-sw values in 3.0 wt% NaCl solutions are −6.0 ± 1.3‰, −5.6 ± 0.7‰ and −4.1 ± 0.2‰, at 250, 350, and 450°C, respectively, and −5.8 ± 0.6‰ in 10.0 wt % NaCl at 350°C. These data indicate that brucite is depleted in 18O relative to coexisting aqueous NaCl solutions and that the degree of depletion decreases slightly with increasing temperature and is not strongly dependent on salinity. We calculated 18O/16O brucite-water fractionation factors from available calibrations of the salt-effect on 18O/16O fractionation between coexisting phases. The resulting values were fit to the following equation that is valid from 250 to 450°C 1000ln αbr-w = 9.54 × 106T−2 − 3.53 × 104T−1 + 26.58 where T is temperature in Kelvins. These new data have been used to improve the prediction of 18O/16O fractionation factors in the talc-water and serpentine-water systems by modifying existing empirical bond-water models. The results of this analysis indicate that the δ18O composition of talc-brucite and serpentine

  11. A highly efficient noble metal free photocatalytic hydrogen evolution system containing MoP and CdS quantum dots

    NASA Astrophysics Data System (ADS)

    Yin, Shengming; Han, Jianyu; Zou, Yinjun; Zhou, Tianhua; Xu, Rong

    2016-07-01

    We report the construction of a highly efficient noble metal free photocatalytic hydrogen (H2) evolution system using CdS quantum dots as the light absorber and metallic MoP as the cocatalyst. MoP can be prepared by a facile temperature programmed reduction method and small clusters of MoP nanoparticles sized 10-30 nm were obtained by probe ultrasonication. The effect of synthesis conditions on the electrocatalytic and photocatalytic H2 evolution activity of MoP was investigated. The highest H2 evolution rate of 1100 μmol h-1 can be achieved by the optimized system under visible light (λ >= 420 nm), which is comparable to that when Pt was used as the cocatalyst. A high quantum efficiency of 45% is obtained at 460 nm irradiation.We report the construction of a highly efficient noble metal free photocatalytic hydrogen (H2) evolution system using CdS quantum dots as the light absorber and metallic MoP as the cocatalyst. MoP can be prepared by a facile temperature programmed reduction method and small clusters of MoP nanoparticles sized 10-30 nm were obtained by probe ultrasonication. The effect of synthesis conditions on the electrocatalytic and photocatalytic H2 evolution activity of MoP was investigated. The highest H2 evolution rate of 1100 μmol h-1 can be achieved by the optimized system under visible light (λ >= 420 nm), which is comparable to that when Pt was used as the cocatalyst. A high quantum efficiency of 45% is obtained at 460 nm irradiation. Electronic supplementary information (ESI) available: SEM image with EDS, XPS survey spectrum, XRD and TEM images of MoP samples prepared under different conditions; XRD, TEM, UV-vis and photoluminescence spectra of CdS QDs; H2 evolution activity comparison for different MoP/CdS samples; the effect of pH value on H2 evolution activity of a MoP/CdS system; the XPS spectrum of MoP/CdS after photoreaction; table of literature studies on H2 evolution activity by different noble metal free photocatalytic systems

  12. Density functional study on chirospectra of hydrogen-bonded systems X- (H2O)3 (X = F, Cl, Br, I)

    NASA Astrophysics Data System (ADS)

    Mang, Chao-Yong; Li, Zhen-Gui; Wu, Ke-Chen

    2010-04-01

    This paper calculates the molecular structures, infrared, Raman, circular dichroism spectra and optical rotatory powers of some hydrogen-bonded supramolecular systems as a cyclic water trimer, (H2O)3 and its pyramidal halide complexes, X- (H2O)3 (X = F, Cl, Br, I) with the gradient-corrected density functional theory method at the B3LYP/6-311++G(2d,2p) and B3LYP/Aug-cc-pVTZ levels. It finds that the complexation of halide anions with the water trimer can efficiently modulate the chirally optical behaviors. The calculated vibrational circular dichroism spectrum illuminates that the vibrational rotational strength of S(+)-(H2O)3 mostly originates from the O-H rocking modes, whereas chirality of S(-)-X- (H2O)3 (X = F, Cl, Br, I) has its important origin in the O-H stretching modes. The calculated optical rotatory power demonstrates that S(+)-(H2O)3 and S(+)-F-(H2O)3 are positively chiral, whereas S(-)-X-(H2O)3 (X = Cl, Br, I) are negatively chiral. With the polarizable continuum model, calculated bulk solvent effect in the solvents water and carbontetrachloride and argon shows that the positive chirality of S(+)-(H2O)3 is enhanced and the negative chirality of S(-)-X-(H2O)3 (X = Cl, Br, I) and the positive chirality of S(+)-F-(H2O)3 are reduced with an augmentation of the solvent dielectric constant.

  13. Higher-Stokes-order Raman conversion of XeCl laser in hydrogen

    SciTech Connect

    Komine, H.; Stappaerts, E.A.

    1982-04-01

    Efficient XeCl-laser Raman downconversion has been demonstrated with a novel oscillator-amplifier system based on higher-Stokes-order generation in H/sub 2/ gas. Simultaneous generation of the first (353-nm), second (414-nm), and third (499-nm) Stokes outputs has been observed in a Raman amplifier at energy-conversion efficiencies of 18, 22, and 14%, respectively, in good agreement with computer simulations.

  14. Intercalation of aliphatic amines into the layered structure of vanadyl(IV) hydrogen phosphate hemihydrate (VOHPO[sub 4][center dot]0. 5H[sub 2]O)

    SciTech Connect

    Guliants, V.V.; Benziger, J.B.; Sundaresan, S. )

    1994-04-01

    The vanadyl(IV) hydrogen phosphate hemihydrate, VOHPO[sub 4][center dot]0.5H[sub 2]O, is a pyrolytic precursor of the vanadyl(IV) pyrophosphate phase, (VO)[sub 2]P[sub 2]O[sub 7], generally believed to be the active phase in the selective oxidation of n-butane into maleic anhydride. Pyrolytic transformation into the pyrophosphate phase occurs with conservation of a morphology of the material. VOHPO[sub 4][center dot]0.5H[sub 2]O is a layered hydrogen phosphate, where -POH groups form interlayer hydrogen bonds with the water molecules shared by two face-linked vanadyl octahedra. The structure of the hemihydrate is similar to that of [alpha]-zirconium hydrogen phosphate ([alpha]-ZrP), where hydrogen bonds are within the same layer and -POH groups are also pointed into the interlayer space. In contrast to [alpha]-ZrP, where extensive data exist, intercalation chemistry of the layered vanadyl(IV) hydrogen phosphate hemihydrate at present is a terra incognita. This paper reports the results of the first systematic study of VOHPO[sub 4][center dot]0.5H[sub 2]O intercalation with aliphatic amines as a new route to novel vanadyl(IV) phosphate phases. N-Alkylamines have been commonly known as excellent intercalation agents for testing the intracrystalline reactivity of layered oxides. Intercalated alkylamines may also facilitate introduction of thermostable guest molecules, or [open quotes]pillars[close quotes], by ion exchange producing microporous materials which can modify catalytic and sorptive properties. 9 refs., 6 figs., 2 tabs.

  15. Integration of epitaxially-grown InGaAs/GaAs quantum dot lasers with hydrogenated amorphous silicon waveguides on silicon.

    PubMed

    Yang, Jun; Bhattacharya, Pallab

    2008-03-31

    The monolithic integration of epitaxially-grown InGaAs/GaAs self-organized quantum dot lasers with hydrogenated amorphous silicon (a:Si-H) waveguides on silicon substrates is demonstrated. Hydrogenated amorphous silicon waveguides, formed by plasma-enhanced-chemical-vapor deposition (PECVD), exhibit a propagation loss of approximately 10 dB/cm at a wavelength of 1.05 microm. The laser-waveguide coupling, with coupling coefficient of 22%, is achieved through a 3.2 microm-width groove etched by focused-ion-beam (FIB) milling which creates high-quality etched GaAs facets. PMID:18542613

  16. In situ photochemical synthesis of fluorescent carbon dots for optical sensing of hydrogen peroxide and antioxidants.

    PubMed

    Costas-Mora, Isabel; Romero, Vanesa; Lavilla, Isela; Bendicho, Carlos

    2015-11-01

    A new synthesis approach for obtaining fluorescent carbon dots (CDs) based on UV irradiation of carbohydrates was developed. The photochemical synthesis pathway allows the formation of water soluble CDs of analytical usefulness within one min. CDs obtained by photochemical treatment from the sucrose/NaOH/poly(ethylene glycol) system are monodisperse with an average size of 8 nm as determined by transmission electron microscopy. A dramatic increase in the CDs fluorescence (turn on) is observed when H2O2 is added. The decrease in CDs size occurring by the action of highly oxidant OH radicals gives rise to confinement of emissive energy traps and, in turn, to fluorescence enhancement. Antioxidants such as ascorbic acid and glutathione inhibit the photochemical reaction giving rise to a decrease in fluorescence of the CDs/H2O2 system (turn on-off). The detection limit was 5 µM H2O2 and the repeatability expressed as the relative standard deviation was 3.8% (N=7). The photochemical synthesis of CDs allows building a green, low-cost, safe and fast assay for the detection of H2O2 and antioxidants. An application of the novel fluorescent nanoprobe to H2O2 detection in contact lens cleaning solutions is performed. PMID:26452963

  17. Functionalization of TiO2 with graphene quantum dots for efficient photocatalytic hydrogen evolution

    NASA Astrophysics Data System (ADS)

    Hao, Xuqiang; Jin, Zhiliang; Xu, Jing; Min, Shixiong; Lu, Gongxuan

    2016-06-01

    Graphene quantum dots (GQDs) serve as a novel solid-state electron transfer reagent anchored on TiO2 by in situ photo-assisted strategy and greatly enhanced photocatalytic H2 evolution activity in methanol aqueous solution without the noble mental cocatalyst. The excellent photocatalytic activities were ascribed to the GQDs which act as an excellent electron transporters and acceptors, as well as photosensitizer. GQDs not only acted as efficient electron reservoirs and a solid-state electron transfer reagent from the conduction band of TiO2 to GQDs, but also acted as an excellent photosensitizer to sensitize TiO2, in which the photoinduced electrons transfer from excited GQDs to TiO2 to produce H2. In addition, GQDs is nanoscale fragments of graphene which can provide a larger active surface and greatly increase the contact area with the TiO2, which is conducive to rapidly transfer photo-generated electrons due to the large specific area and high carrier mobility of GQDs. Thus, GQDs improved the photocatalytic activity for H2 evolution.

  18. Comparison of the directionality of the halogen, hydrogen, and lithium bonds between HOOOH and XF (X = Cl, Br, H, Li).

    PubMed

    Liu, Lixun; Meng, Lingpeng; Zhang, Xueying; Zeng, Yanli

    2016-03-01

    Detailed electrostatic potential (ESP) analyses were performed to compare the directionality of halogen bonds with those of hydrogen bonds and lithium bonds. To do this, the interactions of HOOOH with the molecules XF (X = Cl, Br, H, Li) were investigated. For each molecule, the percentage of the van der Waals (vdW) molecular surface that intersected with the ESP surface was used to roughly quantify the directionality of the halogen/hydrogen/lithium bond associated with the molecule. The size of the region of intersection was found to increase in the following order: ClF < BrF < HF < LiF. The maximum ESP in the region of intersection, V S, max, was observed to become more positive according to the sequence ClF < BrF < HF < LiF. For ClF and BrF, the positive electrostatic potential was concentrated in a very small region of the vdW molecular surface. On the other hand, for HF and LiF, the positive electrostatic potential was more diffusely scattered across the vdW surface than for ClF and BrF. Also, the optimized geometries of the dipolymers HOOOH··· XF (X = Cl, Br, H, Li) indicated that halogen bonds are more directional than hydrogen bonds and lithium bonds, consistent with the results of ESP analyses. PMID:26847451

  19. The role of hydrogen in stress-corrosion cracking of austenitic stainless steel in hot MgCl{sub 2} solution

    SciTech Connect

    Qiao, L.; Mao, X.; Chu, W.

    1995-07-01

    The role of hydrogen in stress-corrosion cracking (SCC) of austenitic stainless steel was investigated in boiling chloride solution. The tests in the mixed melted salt verified that hydrogen-induced cracking (HIC) could occur at 160 C if sufficient hydrogen could be supplied continuously. It was found that the threshold SCC intensity factors of both 321 and 310 steels were lower than those of HIC during dynamic charging at high fugacity at 40 C and 160 C. In addition, anodic polarization decreased hydrogen concentration and promoted SCC in hot LiCl solution, while cathodic polarization increased hydrogen concentration and restrained SCC. Hydrogen could be introduced into the specimen and be concentrated at the crack tip during SCC. It could promote anodic dissolution and SCC remarkably, although it was not enough to produce cracking.

  20. Effects of Pauli, Rashba and Dresselhaus spin-orbit interactions on electronic states in 2D circular hydrogenic anti-dot

    NASA Astrophysics Data System (ADS)

    Abuali, Z.; Golshan, M. M.; Davatolhagh, S.

    2016-09-01

    The present work is concerned with a report on the effects of Pauli, Rashba and Dresselhaus spin-orbit interactions (SOI) on the energy levels of a 2D circular hydrogenic quantum anti-dot(QAD). To pursue this aim, we first present a brief review on the analytical solutions to the Schrödinger equation of electronic states in a quantum anti-dot when a hydrogenic donor is placed at the center, revealing the degeneracies involved in the ground, first and second excited states. We then proceed by adding the aforementioned spin-orbit interactions to the Hamiltonian and treat them as perturbation, thereby, calculating the energy shifts to the first three states. As we show, the Rashba spin-orbit interaction gives rise to a shift in the energies of the ground and second excited states, while it partially lifts the degeneracy of the first excited state. Our calculations also indicate that the Dresselhaus effect, while keeping the degeneracy of the ground and second excited states intact, removes the degeneracy of the first excited state in the opposite sense. The Pauli spin-orbit interaction, on the other hand, is diagonal in the appropriate bases, and thus its effect is readily calculated. The results show that degeneracy of ℓ = 0 (prevailing in the ground and second excited state) remains but the degeneracy of ℓ = 1 (prevailing in the first excited state) is again partially lifted. Moreover, we present the energy corrections due to the three spin-orbit interactions as functions of anti-dot's radius, Rashba and Dresselhaus strengths discussing how they affect the corresponding states. The material presented in the article conceives the possibility of generating spin currents in the hydrogenic circular anti-dots.

  1. Stable hydrogen generation from vermiculite sensitized by CdS quantum dot photocatalytic splitting of water under visible-light irradiation.

    PubMed

    Zhang, Jian; Zhu, Wenfeng; Liu, Xiaoheng

    2014-06-28

    CdS quantum dot/vermiculite (CdS/VMT) nanocomposites have been synthesized via a facile one-step method and characterized by X-ray diffraction, UV-vis diffuse reflection spectroscopy, X-ray photoelectron spectroscopy, and transmission electron microscopy. The photocatalytic hydrogen generation activities of these samples were evaluated using Na2S and Na2SO3 as sacrificial reagents in water under visible-light illumination (λ ≥ 420 nm). The most important aspect of this work is the use of natural products (VMT) as host photocatalysts. The effect of CdS content on the rate of visible light photocatalytic hydrogen generation was investigated for different CdS loadings. The synergistic effect of VMT and CdS quantum dots (QDs) leads to efficient separation of the photogenerated charge carriers and, consequently, enhances the visible light photocatalytic hydrogen production activity of the photocatalyst. The CdS/VMT composite with an optimal ratio of 5% exhibits the highest hydrogen evolution rate of 92 μmol h(-1) under visible light irradiation and the highest apparent quantum efficiency of 17.7% at 420 nm. A possible photocatalytic mechanism of the CdS/VMT nanocomposite is proposed and corroborated by photoelectrochemical curves. PMID:24819860

  2. A hydrogen-1, chlorine-35, and yttrium-89 NMR complex formation study of aqueous Y(ClO 4) 3 and Y(NO 3) 3 solutions

    NASA Astrophysics Data System (ADS)

    Fratiello, Anthony; Kubo-Anderson, Vicki; Bolinger, Todd; Cordero, Cristina; Demerit, Barbara; Flores, Thomas; Matejka, Dennis; Perrigan, Richard

    A Y (III) coordination study of Y (ClO 4) 3 and Y (NO 3) 3 solutions in aqueous solvent mixtures has been carried out by hydrogen-1, chlorine-35, and yttrium-89 NMR spectroscopy. An accurate measurement of the Y(III) hydration number by a direct hydrogen-1 NMR method was not possible in Y (ClO 4) 3 solutions, even at -115°C, but these experiments were successful for Y(NO 3) 3 solutions. The hydrogen-1 spectra for the Y(NO 3) 3 solutions revealed two coordinated water signals, appearing at different temperatures, and corresponding to total Y(III) hydration numbers of 2.5 to 3.5. The yttrium-89 NMR spectra showed one signal for Y(ClO 4) 3 solutions for all conditions of concentration and temperature, whereas the Y (NO 3) 3 solution spectra at low temperature consisted of two signals, which varied in intensity with solvent composition. The hydrogen-1 and yttrium-89 NMR results were interpreted in terms of combinations of (H 2O) 4Y (NO 3) 2+ and (H 2O) 2Y ( NO3) {1}/{2}+ in the Y(NO 3) 3 solutions, but similar experiments, along with chlorine-35 NMR data, ruled out inner-shell complex formation in the Y(ClO 4) 3 systems.

  3. Enhancement of periodate-hydrogen peroxide chemiluminescence by nitrogen doped carbon dots and its application for the determination of pyrogallol and gallic acid.

    PubMed

    Shah, Syed Niaz Ali; Li, Haifang; Lin, Jin-Ming

    2016-06-01

    A new sensitized chemiluminescence (CL) was developed to broaden the analytical application of KIO4-H2O2 system. The nitrogen doped carbon dots (N-CDs) dramatically boosted the CL intensity of KIO4-H2O2 system which was further enriched by basic medium. In light of EPR analysis, free radical scavenging studies and CL spectra the detail mechanism for the enhancement was conferred in the presence of N-CDs and NaOH. The results suggested that CL of KIO4-H2O2 system in the presence and absence of N-CDs and NaOH proceeds via radical pathway. The enhanced CL was used for the determination of pyrogallol and gallic acid in range of 1.0×10(-4)-1.0×10(-7)M with 4.6×10(-8) and 6.1×10(-8)M limit of detection respectively. The relative standard deviation (RSD) at a concentration of 10(-5) for gallic acid and pyrogallol was 1.4% and 2.3% respectively (n=11). The attained results unveil that the present method is sensitive, faster, simpler and less costly compared to other methods and could be applied to determine polyphenols in real samples. PMID:27130085

  4. Stereo-specificity for pro-(R) hydrogen of NAD(P)H during enzyme-catalyzed hydride transfer to CL-20

    SciTech Connect

    Bhushan, Bharat; Halasz, Annamaria; Hawari, Jalal . E-mail: jalal.hawari@nrc.ca

    2005-12-02

    A dehydrogenase from Clostridium sp. EDB2 and a diaphorase from Clostridium kluyveri were reacted with CL-20 to gain insights into the enzyme-catalyzed hydride transfer to CL-20, and the enzyme's stereo-specificity for either pro-R or pro-S hydrogens of NAD(P)H. Both enzymes biotransformed CL-20 at rates of 18.5 and 24 nmol/h/mg protein, using NADH and NADPH as hydride-source, respectively, to produce a N-denitrohydrogenated product with a molecular weight of 393 Da. In enzyme kinetics studies using reduced deuterated pyridine nucleotides, we found a kinetic deuterium isotopic effect of 2-fold on CL-20 biotransformation rate using dehydrogenase enzyme against (R)NADD as a hydride-source compared to either (S)NADD or NADH. Whereas, in case of diaphorase, the kinetic deuterium isotopic effect of about 1.5-fold was observed on CL-20 biotransformation rate using (R)NADPD as hydride-source. In a comparative study with LC-MS, using deuterated and non-deuterated NAD(P)H, we found a positive mass-shift of 1 Da in the N-denitrohydrogenated product suggesting the involvement of a deuteride (D{sup -}) transfer from NAD(P)D. The present study thus revealed that both dehydrogenase and diaphorase enzymes from the two Clostridium species catalyzed a hydride transfer to CL-20 and showed stereo-specificity for pro-R hydrogen of NAD(P)H.

  5. Synthesis and electrochemistry of ([mu]-oxo)technetium complexes with bipyridine and halide ligands. Crystal structures of ([mu]-O)[X(bpy)[sub 2]Tc][sub 2]X[sub x][center dot]bpy (X = Cl, Br) and ([mu]-O)[Cl(phen)[sub 2]Tc][sub 2]Cl[sub 2

    SciTech Connect

    Jun Lu; Hiller, C.D.; Clarke, M.J. )

    1993-04-14

    Dinuclear [mu]-oxo complexes of technetium, in which the two Tc atoms are in intimate electronic communication, have been synthesized and structurally characterized. ([mu]-O)[X(bpy)[sub 2]Tc][sub 2]X[sub 2][center dot]bpy, where X = Cl (I) and Br (II), are isomorphic and crystallize in the orthorhombic space group. The compound ([mu]-O)[Cl(phen)[sub 2]Tc]Cl[sub 2][center dot]4H[sub 2]O (III) also crystallized in Pbcn. In each structure, the geometry is distorted octahedral around each Tc, with the equatorial ligands on the opposite metal atoms being staggered relative to one another. The bridging oxygen atom sits on a 2-fold symmetry element which bisects the angle formed by the staggered Tc-X bonds. Infrared Tc-O stretching frequencies are in the range 723-730 cm[sup [minus]1]. Halides are easily dissociated from the phenanthroline complexes and an analog, ([mu]-O)[(OH)(phen)[sub 2]Tc][sub 2](PF[sub 6])[sub 2][center dot]6H[sub 2]O, of a ruthenium water oxidation catalyst has been investigated. Cyclic voltammetry revealed three one-electron couples that are independent of pH over a wide range. At low pH, oxidation of ([mu]-O)[(OH)(phen)[sub 2]Tc][sub 2][sup 2+] by O[sub 2] occurs slowly, but is rapid with HNO[sub 3] or H[sub 2]O[sub 2] to give the (III--IV) mixed-valent complex, which exhibits a low energy (IVCT) band at 959 nm. The comproportionation constant for ([mu]-O)[(OH)(phen)[sub 2]Tc][sub 2][sup 2+] + ([mu]-O)[(OH)(phen)[sub 2]Tc][sub 2][sup 4+] [yields] ([mu]-O)[(OH)(phen)[sub 2] Tc][sub 2][sup 3+] is 3.07 [times] 10[sup 10], consistent with close electronic communication between the two technetium atoms. 33 refs., 4 figs., 7 tabs.

  6. Quantum chemical investigation of linear hydrogen bonding in ONCCN···HX (X = F, Cl, Br) dimers

    NASA Astrophysics Data System (ADS)

    Varadwaj, Pradeep R.

    Linear hydrogen bonding formed between the nitrogen end of cyanogen-N-oxide (ONCCN) and hydrogen halides HX (X = F, Cl, Br) has been observed in their ground ? states. The order of agreement of energetic stabilities between the correlated functionals used in this calculation is: B3LYP < PBE0 < PBE < PW91 in conjunction with the 6-311++G(3df,3pd) basis set. Analysis of various parameters describing the existence of H-bonds in these dimers follows the conventional trend: ONCCN···HF > ONCCN···HCl > ONCCN···HBr in the series, except H-bond lengths and static dipole polarizabilities which are in reverse order. The atomic charges obtained from the Mulliken and natural population analysis is used to assess the charge transfer effects that accompany the dimer formation. It is found from the investigation that the dimers having highest binding energy are accompanied by the highest transfer of charge. The 14N nuclear quadrupole coupling constants of the monomer ON1CCN2 are found to be decreased upon complection and in the series it increases from F through Br. We observed enhancements in the values of the dimer dipole moment and intrinsic dipole polarizabilities compared with the sum of the monomer values by intermolecular electrical interaction. Investigation reveals vibrational spectral shifts of HX and CN stretching modes similar to the conventional red-shifted H-bonded dimers; for the former case, the infrared band intensity increases significantly. Finally, the new vibrational modes originated from the intermolecular interaction are outlined.

  7. Reactions between atomic chlorine and pyridine in solid para-hydrogen: infrared spectrum of the 1-chloropyridinyl (C5H5N-Cl) radical.

    PubMed

    Das, Prasanta; Bahou, Mohammed; Lee, Yuan-Pern

    2013-02-01

    With infrared absorption spectra we investigated the reaction between Cl atom and pyridine (C(5)H(5)N) in a para-hydrogen (p-H(2)) matrix. Pyridine and Cl(2) were co-deposited with p-H(2) at 3.2 K; a planar C(5)H(5)N-Cl(2) complex was identified from the observed infrared spectrum of the Cl(2)/C(5)H(5)N/p-H(2) matrix. Upon irradiation at 365 nm to generate Cl atom in situ and annealing at 5.1 K for 3 min to induce secondary reaction, the 1-chloropyridinyl radical (C(5)H(5)N-Cl) was identified as the major product of the reaction Cl + C(5)H(5)N in solid p-H(2); absorption lines at 3075.9, 1449.7, 1200.6, 1148.8, 1069.3, 1017.4, 742.9, and 688.7 cm(-1) were observed. The assignments are based on comparison of observed vibrational wavenumbers and relative IR intensities with those predicted using the B3PW91/6-311++G(2d, 2p) method. The observation of the preferential addition of Cl to the N-site of pyridine to form C(5)H(5)N-Cl radical but not 2-, 3-, or 4-chloropyridine (ClC(5)H(5)N) radicals is consistent with the reported theoretical prediction that formation of the former proceeds via a barrierless path. PMID:23406119

  8. Chloride-hydrogen antiporters ClC-3 and ClC-5 drive osteoblast mineralization and regulate fine-structure bone patterning in vitro.

    PubMed

    Larrouture, Quitterie C; Nelson, Deborah J; Robinson, Lisa J; Liu, Li; Tourkova, Irina; Schlesinger, Paul H; Blair, Harry C

    2015-11-01

    Osteoblasts form an epithelium-like layer with tight junctions separating bone matrix from extracellular fluid. During mineral deposition, calcium and phosphate precipitation in hydroxyapatite liberates 0.8 mole of H(+) per mole Ca(+2). Thus, acid export is needed for mineral formation. We examined ion transport supporting osteoblast vectorial mineral deposition. Previously we established that Na/H exchangers 1 and 6 are highly expressed at secretory osteoblast basolateral surfaces and neutralize massive acid loads. The Na/H exchanger regulatory factor-1 (NHERF1), a pdz-organizing protein, occurs at mineralizing osteoblast basolateral surfaces. We hypothesized that high-capacity proton transport from matrix into osteoblast cytosol must exist to support acid transcytosis for mineral deposition. Gene screening in mineralizing osteoblasts showed dramatic expression of chloride-proton antiporters ClC-3 and ClC-5. Antibody localization showed that ClC-3 and ClC-5 occur at the apical secretory surface facing the bone matrix and in membranes of buried osteocytes. Surprisingly, the Clcn3(-/-) mouse has only mildly disordered mineralization. However, Clcn3(-/-) osteoblasts have large compensatory increases in ClC-5 expression. Clcn3(-/-) osteoblasts mineralize in vitro in a striking and novel trabecular pattern; wild-type osteoblasts form bone nodules. In mesenchymal stem cells from Clcn3(-/-) mice, lentiviral ClC-5 shRNA created Clcn3(-/-), ClC-5 knockdown cells, validated by western blot and PCR. Osteoblasts from these cells produced no mineral under conditions where wild-type or Clcn3(-/-) cells mineralize well. We conclude that regulated acid export, mediated by chloride-proton exchange, is essential to drive normal bone mineralization, and that CLC transporters also regulate fine patterning of bone. PMID:26603451

  9. Photoluminescence properties and crystallization of silicon quantum dots in hydrogenated amorphous Si-rich silicon carbide films

    SciTech Connect

    Wen, Guozhi; Zeng, Xiangbin Wen, Xixin; Liao, Wugang

    2014-04-28

    Silicon quantum dots (QDs) embedded in hydrogenated amorphous Si-rich silicon carbide (α-SiC:H) thin films were realized by plasma-enhanced chemical vapor deposition process and post-annealing. Fluorescence spectroscopy was used to characterize the room-temperature photoluminescence properties. X-ray photoelectron spectroscopy was used to analyze the element compositions and bonding configurations. Ultraviolet visible spectroscopy, Raman scattering, and high-resolution transmission electron microscopy were used to display the microstructural properties. Photoluminescence measurements reveal that there are six emission sub-bands, which behave in different ways. The peak wavelengths of sub-bands P1, P2, P3, and P6 are pinned at about 425.0, 437.3, 465.0, and 591.0 nm, respectively. Other two sub-bands, P4 is red-shifted from 494.6 to 512.4 nm and P5 from 570.2 to 587.8 nm with temperature increasing from 600 to 900 °C. But then are both blue-shifted, P4 to 500.2 nm and P5 to 573.8 nm from 900 to 1200 °C. The X-ray photoelectron spectroscopy analysis shows that the samples are in Si-rich nature, Si-O and Si-N bonds consumed some silicon atoms. The structure characterization displays that a separation between silicon phase and SiC phase happened; amorphous and crystalline silicon QDs synthesized with increasing the annealing temperature. P1, P2, P3, and P6 sub-bands are explained in terms of defect-related emission, while P4 and P5 sub-bands are explained in terms of quantum confinement effect. A correlation between the peak wavelength shift, as well as the integral intensity of the spectrum and crystallization of silicon QDs is supposed. These results help clarify the probable luminescence mechanisms and provide the possibility to optimize the optical properties of silicon QDs in Si-rich α-SiC: H materials.

  10. Photoluminescence properties and crystallization of silicon quantum dots in hydrogenated amorphous Si-rich silicon carbide films

    NASA Astrophysics Data System (ADS)

    Wen, Guozhi; Zeng, Xiangbin; Wen, Xixin; Liao, Wugang

    2014-04-01

    Silicon quantum dots (QDs) embedded in hydrogenated amorphous Si-rich silicon carbide (α-SiC:H) thin films were realized by plasma-enhanced chemical vapor deposition process and post-annealing. Fluorescence spectroscopy was used to characterize the room-temperature photoluminescence properties. X-ray photoelectron spectroscopy was used to analyze the element compositions and bonding configurations. Ultraviolet visible spectroscopy, Raman scattering, and high-resolution transmission electron microscopy were used to display the microstructural properties. Photoluminescence measurements reveal that there are six emission sub-bands, which behave in different ways. The peak wavelengths of sub-bands P1, P2, P3, and P6 are pinned at about 425.0, 437.3, 465.0, and 591.0 nm, respectively. Other two sub-bands, P4 is red-shifted from 494.6 to 512.4 nm and P5 from 570.2 to 587.8 nm with temperature increasing from 600 to 900 °C. But then are both blue-shifted, P4 to 500.2 nm and P5 to 573.8 nm from 900 to 1200 °C. The X-ray photoelectron spectroscopy analysis shows that the samples are in Si-rich nature, Si-O and Si-N bonds consumed some silicon atoms. The structure characterization displays that a separation between silicon phase and SiC phase happened; amorphous and crystalline silicon QDs synthesized with increasing the annealing temperature. P1, P2, P3, and P6 sub-bands are explained in terms of defect-related emission, while P4 and P5 sub-bands are explained in terms of quantum confinement effect. A correlation between the peak wavelength shift, as well as the integral intensity of the spectrum and crystallization of silicon QDs is supposed. These results help clarify the probable luminescence mechanisms and provide the possibility to optimize the optical properties of silicon QDs in Si-rich α-SiC: H materials.

  11. The linear optical properties of a multi-shell spherical quantum dot of a parabolic confinement for cases with and without a hydrogenic impurity

    NASA Astrophysics Data System (ADS)

    Şahin, Mehmet; Köksal, Koray

    2012-12-01

    Throughout this work, we aim to explore the linear optical properties of a semiconductor multi-shell spherical quantum dot with and without a hydrogenic donor impurity. The core and well layers are defined by the parabolic electronic potentials in the radial direction. The energy levels and corresponding wavefunctions of the structure are calculated by using the shooting technique in the framework of the effective-mass approximation. We investigate the intersublevel absorption coefficients of a single electron and the hydrogenic donor impurity comparatively as a function of the photon energy. In addition, we carry out the effect of a donor impurity and the layer thickness on the oscillator strengths and magnitude and position of absorption coefficient peaks. We illustrate the electron probability distribution and variation of the energy levels in cases with and without the impurity for different thicknesses of layers. This kind of structure gives an opportunity to tune and control the absorption coefficient of the system by changing three different thickness parameters. Also it provides a possibility to separate 0s and 1p electrons in different regions of the quantum dot.

  12. Supramolecular arrangement promoted in trans-[PdCl2(HONC10H14O)2]·2H2O by hydrogen bonding

    NASA Astrophysics Data System (ADS)

    Galvão, Adelino M.; Carvalho, M. Fernanda N. N.; Grilo, António L.

    2014-05-01

    Palladium(II) complexes trans-[PdCl2(3-HONC10H14O)2]ṡ2H2O and trans-[PdCl2(2-HONC10H16)2] with similar formulations and molecular geometries display considerably different supramolecular arrangements due to hydrogen bonding involving the oxime substituent (NOH) of the camphor ligand, the halide co-ligand of adjacent molecules and H2O outer-sphere molecules in the case of trans-[PdCl2(3-HONC10H14O)2]ṡ2H2O. The discussion is based on data collected by X-ray diffraction analysis and DFT calculations.

  13. Genotoxic and oxidative responses in coelomocytes of Eisenia fetida and Hediste diversicolor exposed to lipid-coated CdSe/ZnS quantum dots and CdCl2.

    PubMed

    Saez, Gladys; Aye, Mélanie; De Meo, Michel; Aimé, Ahissan; Bestel, Isabelle; Barthélémy, Philippe; Di Giorgio, Carole

    2015-07-01

    The emerging of Quantum Dots utilization in industrial or medicinal fields involved a potentially increase of these nanoparticles in environment. In this work, the genotoxic (comet assay) and oxidative effects (SOD activity, TBARS) of functionalized-QDs and cadmium chloride were investigated on Hediste diversicolor and Eisenia fetida coelomocytes. Results demonstrated that functionalized-QDs (QDNs) and cadmium chloride induced DNA damages through different mechanisms that depended on the nano- or ionic nature of Cd. The minimal genotoxic concentrations for H. diversicolor (<0.001ng/g for QDNs and CdCl2 ) were lower than for E. fetida (between 0.01 and 0.1 ng/g for QDNs, and between 0.001 and 0.01 ng/g for CdCl2 ). These results showed that H. diversicolor was more sensitive than E. fetida. The two contaminants had a low impact on the oxidative stress markers. PMID:24500942

  14. Vectorial electron transfer for improved hydrogen evolution by mercaptopropionic-acid-regulated CdSe quantum-dots-TiO2 -Ni(OH)2 assembly.

    PubMed

    Yu, Shan; Li, Zhi-Jun; Fan, Xiang-Bing; Li, Jia-Xin; Zhan, Fei; Li, Xu-Bing; Tao, Ye; Tung, Chen-Ho; Wu, Li-Zhu

    2015-02-01

    A visible-light-induced hydrogen evolution system based on a CdSe quantum dots (QDs)-TiO2 -Ni(OH)2 ternary assembly has been constructed under an ambient environment, and a bifunctional molecular linker, mercaptopropionic acid, is used to facilitate the interaction between CdSe QDs and TiO2 . This hydrogen evolution system works effectively in a basic aqueous solution (pH 11.0) to achieve a hydrogen evolution rate of 10.1 mmol g(-1)  h(-1) for the assembly and a turnover frequency of 5140 h(-1) with respect to CdSe QDs (10 h); the latter is comparable with the highest value reported for QD systems in an acidic environment. X-ray photoelectron spectroscopy, X-ray absorption spectroscopy, and control experiments demonstrate that Ni(OH)2 is an efficient hydrogen evolution catalyst. In addition, inductively coupled plasma optical emission spectroscopy and the emission decay of the assembly combined with the hydrogen evolution experiments show that TiO2 functions mainly as the electron mediator; the vectorial electron transfer from CdSe QDs to TiO2 and then from TiO2 to Ni(OH)2 enhances the efficiency for hydrogen evolution. The assembly comprises light antenna CdSe QDs, electron mediator TiO2 , and catalytic Ni(OH)2 , which mimics the strategy of photosynthesis exploited in nature and takes us a step further towards artificial photosynthesis. PMID:25470751

  15. 76 FR 59067 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2B16 (CL-601-3A, CL-601-3R, and CL-604...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-09-23

    ... ``significant rule'' under the DOT Regulatory Policies and Procedures (44 FR 11034, February 26, 1979); and 3.... Model CL-600-2B16 (CL- 601-3A, CL-601-3R, and CL-604 Variants) Airplanes AGENCY: Federal Aviation...) events have occurred where the Air-Driven Generator (ADG) failed to provide power on CL-600-2B19...

  16. Temperature dependence of the rate constant for hydrogen atom reaction with Cl2-• in water by pulse radiolysis of aqueous HCl solution

    NASA Astrophysics Data System (ADS)

    Kazmierczak, L.; Szala-Bilnik, J.; Wolszczak, M.; Swiatla-Wojcik, D.

    2015-12-01

    The temperature dependence of the rate constant for the reaction of dichloride anion radical (Cl2-•) with atomic hydrogen (H•) in water up to 75 °C has been determined by pulse radiolysis of deaerated 0.1 M HCl solution. The room temperature value is (6.1±0.6)×109 M-1 s-1. The activation energy of (13.2±0.6) kJ mol-1 is less than 16.7 kJ mol-1, expected for the diffusion-controlled reaction. Based on the temperature dependence of the rate constant for the reactions H•+ Cl2-• and H•+Cl2, derived in this work, and on that reported earlier (Szala-Bilnik et al., 2014) for Cl2-• + Cl2SUP>-•, we show that a value of (10±2) M-1 s-1 determined by Hartig and Getoff (1982) for k (H•+H2O) in water at 25 °C is overestimated by at least two orders of magnitude.

  17. A cocatalyst-free Eosin Y-sensitized p-type of Co₃O₄ quantum dot for highly efficient and stable visible-light-driven water reduction and hydrogen production.

    PubMed

    Zhang, Ning; Shi, Jinwen; Niu, Fujun; Wang, Jian; Guo, Liejin

    2015-09-01

    Owing to the effect of energy band bending, p-type Co3O4 quantum dots sensitized by Eosin Y showed a high and stable photocatalytic activity (∼13,440 μmol h(-1) g(-1)(cat)) for water reduction and hydrogen production under visible-light irradiation without any cocatalyst. PMID:26234704

  18. The low-lying states and optical absorption properties of a hydrogenic impurity in a parabolic quantum dot modulation by applied electric field

    NASA Astrophysics Data System (ADS)

    Yuan, Jian-Hui; Zhang, Yan; Guo, Xinxia; Zhang, Jinjin; Mo, Hua

    2015-04-01

    Using the configuration-integration method, we investigated theoretically the low-lying states and optical absorption properties of a hydrogenic impurity in a parabolic quantum dot modulation by applied electric field. The low-lying states and optical absorption properties depend sensitively on the electric field F and the strength of the parabolic confinement ℏω0 . We discuss the linear and third-order nonlinear optical absorption coefficients of the dot (i) with the impurity ion and (ii) without the impurity ion. In the first case, the increase of the parabolic confinement ℏω0 (or the electric field F) can induce the blueshift (or redshift) of the peak of the absorption coefficient. Also the optical intensity can induce the increase of the third-order nonlinear optical absorption coefficients to weaken and even bleach the total optical absorption coefficients. Similar behavior has also been observed in the second case, but there is no redshift of the peak positions of the absorption coefficient with the increase of the electric field F. Compared with the second case, it is easily seen that there are the blueshifts of the peak of the absorption coefficients, which can be used as a technical means for detecting impurities.

  19. Photochemical hydrogen production from water catalyzed by CdTe quantum dots/molecular cobalt catalyst hybrid systems.

    PubMed

    Han, Kai; Wang, Mei; Zhang, Shuai; Wu, Suli; Yang, Yong; Sun, Licheng

    2015-04-25

    A hybrid system with a coordinative interaction between a cobalt complex of a N2S2-tetradentate ligand and CdTe quantum dots displayed a high activity (initial TOF 850 h(-1)) and improved stability (TON 1.44 × 10(4) based on catalyst over 30 h) for the photochemical H2 generation from water, with a quantum efficiency of 5.32% at 400 nm. PMID:25800286

  20. The system NaCl-CaCl[sub 2]-H[sub 2]O; 2: Densities for ionic strengths of 0. 1--19. 2 mol[center dot]kg[sup [minus]1] at 298. 15 and 308. 15 K and at 0. 1 MPa

    SciTech Connect

    Oakes, C.S.; Bodnar, R.J. . Dept. of Geological Sciences); Simonson, J.M. . Chemistry Division)

    1990-01-01

    Data on the physical properties of the ternary system NaCl-CaCl[sub 2]-H[sub 2]O are of particular importance in the processing and disposal of brines produced from industrial processes, chemical manufacture, and petroleum and geothermal reservoirs. Densities for ternary solutions in the system NaCl-CaCl[sub 2]-H[sub 2]O were measured with a vibrating-tube densimeter at 298.15 [+-] 0.09 and 308.15 [+-] 0.03 K and 0.1 MPa and over a range of ionic strengths from 0.1 to 19.2 mol[center dot]kg[sup [minus]1]. The present results are in excellent agreement with previously published data for the NaCl-H[sub 2]O binary and are in very good agreement with the more precise of the available data for the CaCl[sub 2]-H[sub 2]O binary at 298.15 K. Very large discrepancies between the results of the three most recent reports of densities for the CaCl[sub 2]-H[sub 2]O system at 308.15 K are resolved here, improving both the accuracy and precision for this system. Most significantly, the results reported here substantially expand the volumetric data base for ternary solutions. On the basis of the results of this study, most of the previously reported 308.15 K density data in the ternary system appear to contain large errors. The authors have evaluated the data within the framework of the Pitzer formalism and obtain new values for the ion interaction and mixing parameters for this ternary system. In addition to the parameters determined from the binary end-member solutions, it was found that only [theta][sub NaCa][sup v] was needed to represent the ternary results.

  1. Effects of surface residual species in SBA-16 on encapsulated chiral (1S,2S)-DPEN-RuCl2(TPP)2 in asymmetric hydrogenation of acetophenone

    NASA Astrophysics Data System (ADS)

    Shi, Xiufeng; Xing, Bin; Fan, Binbin; Xue, Zhaoteng; Li, Ruifeng

    2016-03-01

    The SBA-16 obtained by different routes of elimination of organic templates were used as the hosts for encapsulation of chiral Ru complex (1S,2S)-DPEN-RuCl2(TPP)2 ( 1) (DPEN = 1,2-diphenylethylene-diamine, TPP = triphenyl phosphine). The methods for removing templates had distinct effects on the amount of residual template in SBA-16, which made the SBA-16 with different surface and structure properties. 1 encapsulated in SBA-16 extracted with the mixture of pyridine and ethanol showed higher activity and enantioselectivity for acetophenone asymmetric hydrogenation.

  2. Electric field induced optical gain of a hydrogenic impurity in a Cd{sub 0.8}Zn{sub 0.2}Se/ZnSe parabolic quantum dot

    SciTech Connect

    Jasmine, P. Christina Lily; Peter, A. John

    2015-06-24

    The dependence of electric field on the electronic and optical properties is investigated in a Cd{sub 0.8}Zn{sub 0.2}Se/ZnSe quantum dot. The hydrogenic binding energy, in the presence of electric field, is calculated with the spatial confinement effect. The electric field dependent optical gain with the photon energy is found using compact density matrix method. The results show that the electric field has a great influence on the optical properties of II-VI semiconductor quantum dot.

  3. CB-TE2A(+)·Cl(-)·3H2O: a short intermolecular hydrogen bond between zwitterionic bicyclo[6.6.2]tetraamine macrocycles.

    PubMed

    Jurek, Paul; Reibenspies, Joseph H; Kiefer, Garry E

    2016-02-01

    1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane-4,11-diacetic acid (CB-TE2A) is of much interest in nuclear medicine for its ability to form copper complexes that are kinetically inert, which is beneficial in vivo to minimize the loss of radioactive copper. The structural chemistry of the hydrated HCl salt of CB-TE2A, namely 11-carboxymethyl-1,8-tetraaza-4,11-diazoniabicyclo[6.6.2]hexadecane-4-acetate chloride trihydrate, C16H31N4O4(+)·Cl(-)·3H2O, is described. The compound crystallized as a positively charged zwitterion with a chloride counter-ion. Two of the amine groups in the macrocyclic ring are protonated. Formally, a single negative charge is shared between two of the carboxylic acid groups, while one chloride ion balances the charge. Two intramolecular hydrogen bonds are observed between adjacent pairs of N atoms of the macrocycle. Two intramolecular hydrogen bonds are also observed between the protonated amine groups and the pendant carboxylate groups. A short intermolecular hydrogen bond is observed between two partially negatively charged O atoms on adjacent macrocycles. The result is a one-dimensional polymeric zigzag chain that propagates parallel to the crystallographic a direction. A second intermolecular interaction is a hydrogen-bonding network in the crystallographic b direction. The carbonyl group of one macrocycle is connected through the three water molecules of hydration to the carbonyl group of another macrocycle. PMID:26846499

  4. The Synthesis and Structural Properties of Crystalline Silicon Quantum Dots upon Thermal Annealing of Hydrogenated Amorphous Si-Rich Silicon Carbide Films

    NASA Astrophysics Data System (ADS)

    Wen, Guozhi; Zeng, Xiangbin; Li, Xianghu

    2016-05-01

    Silicon quantum dots (QDs) embedded in non-stoichiometric hydrogenated silicon carbide (SiC:H) thin films have been successfully synthesized by plasma-enhanced chemical vapor deposition and post-annealing. The chemical composition analyses have been carried out by x-ray photoelectron spectroscopy (XPS). The bonding configurations have been deduced from Fourier transform infrared absorption measurements (FTIR). The evolution of microstructure with temperature has been characterized by glancing incident x-ray diffraction (XRD) and Raman diffraction spectroscopy. XPS and FTIR show that it is in Si-rich feature and there are a few hydrogenated silicon clusters in the as-grown sample. XRD and Raman diffraction spectroscopy show that it is in amorphous for the as-grown sample, while crystalline silicon QDs have been synthesized in the 900°C annealed sample. Silicon atoms precipitation from the SiC matrix or silicon phase transition from amorphous SiC is enhanced with annealing temperature increase. The average sizes of silicon QDs are about 5.1 nm and 5.6 nm, the number densities are as high as 1.7 × 1012 cm-2 and 3.2 × 1012 cm-2, and the crystalline volume fractions are about 58.3% and 61.3% for the 900°C and 1050°C annealed samples, respectively. These structural properties analyses provide an understanding about the synthesis of silicon QDs upon thermal annealing for applications in next generation optoelectronic and photovoltaic devices.

  5. Coverage control of CdSe quantum dots in the photodeposition on TiO2 for the photoelectrochemical solar hydrogen generation.

    PubMed

    Yoshii, Mari; Murata, Yusuke; Nakabayashi, Yasunari; Ikeda, Takuya; Fujishima, Musashi; Tada, Hiroaki

    2016-07-15

    CdSe quantum dots (QDs) have successfully been formed on the TiO2 surface by the photodeposition of Se QDs and their subsequent transformation into CdSe QDs (CdSe/TiO2) (Fujishima et al., 2014). The addition of mercaptoacetic acid (MAA) in the second step of the two-step photodeposition process significantly decreases the CdSe particle size and the contact angle against the TiO2 surface to increase the TiO2-surface coverage by CdSe QDs with the particle size distribution sharpened. X-ray photoelectron and Raman spectroscopy measurements indicated that MAA is densely chemisorbed on the surface of CdSe QDs through CdS bond, whereas sparsely adsorbed on the TiO2 surface. Photoelectrochemical (PEC) cells using CdSe/TiO2 as the photoanode for hydrogen (H2) generation from aqueous sulfide solution were fabricated. The rate of H2 generation strongly depends on the concentration of MAA (C) added in the photoanode preparation, and the photoanode prepared at C=0.04mM affords a maximum solar-to-hydrogen conversion efficiency of 0.028%. PMID:27100903

  6. Plasmonic silver quantum dots coupled with hierarchical TiO2 nanotube arrays photoelectrodes for efficient visible-light photoelectrocatalytic hydrogen evolution

    PubMed Central

    Lian, Zichao; Wang, Wenchao; Xiao, Shuning; Li, Xin; Cui, Yingying; Zhang, Dieqing; Li, Guisheng; Li, Hexing

    2015-01-01

    A plasmonic Ag/TiO2 photocatalytic composite was designed by selecting Ag quantum dots (Ag QDs) to act as a surface plasmon resonance (SPR) photosensitizer for driving the visible-light driven photoelectrocatalytic hydrogen evolution. Vertically oriented hierarchical TiO2 nanotube arrays (H-TiO2-NTAs) with macroporous structure were prepared through a two-step method based on electrochemical anodization. Subsequently, Ag QDs, with tunable size (1.3-21.0 nm), could be uniformly deposited on the H-TiO2 NTAs by current pulsing approach. The unique structure of the as-obtained photoelectrodes greatly improved the photoelectric conversion efficiency. The as-obtained Ag/H-TiO2-NTAs exhibited strong visible-light absorption capability, high photocurrent density, and enhanced photoelectrocatalytic (PEC) activity toward photoelectrocatalytic hydrogen evolution under visible-light irradiation (λ > 420 nm). The enhancement in the photoelectric conversion efficiency and activity was ascribed to the synergistic effects of silver and the unique hierarchical structures of TiO2 nanotube arrays, strong SPR effect, and anti-shielding effect of ultrafine Ag QDs. PMID:26067850

  7. Plasmonic silver quantum dots coupled with hierarchical TiO2 nanotube arrays photoelectrodes for efficient visible-light photoelectrocatalytic hydrogen evolution.

    PubMed

    Lian, Zichao; Wang, Wenchao; Xiao, Shuning; Li, Xin; Cui, Yingying; Zhang, Dieqing; Li, Guisheng; Li, Hexing

    2015-01-01

    A plasmonic Ag/TiO2 photocatalytic composite was designed by selecting Ag quantum dots (Ag QDs) to act as a surface plasmon resonance (SPR) photosensitizer for driving the visible-light driven photoelectrocatalytic hydrogen evolution. Vertically oriented hierarchical TiO2 nanotube arrays (H-TiO2-NTAs) with macroporous structure were prepared through a two-step method based on electrochemical anodization. Subsequently, Ag QDs, with tunable size (1.3-21.0 nm), could be uniformly deposited on the H-TiO2 NTAs by current pulsing approach. The unique structure of the as-obtained photoelectrodes greatly improved the photoelectric conversion efficiency. The as-obtained Ag/H-TiO2-NTAs exhibited strong visible-light absorption capability, high photocurrent density, and enhanced photoelectrocatalytic (PEC) activity toward photoelectrocatalytic hydrogen evolution under visible-light irradiation (λ>420 nm). The enhancement in the photoelectric conversion efficiency and activity was ascribed to the synergistic effects of silver and the unique hierarchical structures of TiO2 nanotube arrays, strong SPR effect, and anti-shielding effect of ultrafine Ag QDs. PMID:26067850

  8. The Synthesis and Structural Properties of Crystalline Silicon Quantum Dots upon Thermal Annealing of Hydrogenated Amorphous Si-Rich Silicon Carbide Films

    NASA Astrophysics Data System (ADS)

    Wen, Guozhi; Zeng, Xiangbin; Li, Xianghu

    2016-08-01

    Silicon quantum dots (QDs) embedded in non-stoichiometric hydrogenated silicon carbide (SiC:H) thin films have been successfully synthesized by plasma-enhanced chemical vapor deposition and post-annealing. The chemical composition analyses have been carried out by x-ray photoelectron spectroscopy (XPS). The bonding configurations have been deduced from Fourier transform infrared absorption measurements (FTIR). The evolution of microstructure with temperature has been characterized by glancing incident x-ray diffraction (XRD) and Raman diffraction spectroscopy. XPS and FTIR show that it is in Si-rich feature and there are a few hydrogenated silicon clusters in the as-grown sample. XRD and Raman diffraction spectroscopy show that it is in amorphous for the as-grown sample, while crystalline silicon QDs have been synthesized in the 900°C annealed sample. Silicon atoms precipitation from the SiC matrix or silicon phase transition from amorphous SiC is enhanced with annealing temperature increase. The average sizes of silicon QDs are about 5.1 nm and 5.6 nm, the number densities are as high as 1.7 × 1012 cm-2 and 3.2 × 1012 cm-2, and the crystalline volume fractions are about 58.3% and 61.3% for the 900°C and 1050°C annealed samples, respectively. These structural properties analyses provide an understanding about the synthesis of silicon QDs upon thermal annealing for applications in next generation optoelectronic and photovoltaic devices.

  9. Binding energy of the ground and first few excited states of hydrogenic donor impurity in a rectangular GaAs quantum dot in the presence of electric field

    NASA Astrophysics Data System (ADS)

    Wang, Sheng; Kang, Yun; Li, Xian-Li

    2014-12-01

    Within the quasi-one-dimensional effective potential model and effective mass approximation, we calculate the ground and the first 9 excited-state binding energies of a hydrogenic donor impurity in a rectangular quantum dot (RQD) in the presence of electric field. The analytical form of the quasi-one-dimensional effective potential replacing the three-dimensional Coulomb potential in our model is derived by Fourier transforms. We discuss detailedly dependence of the binding energies on the impurity positions and electric fields. For the ground-state binding energy, our results qualitatively agree with that of Mendoza et al. (2005) in which they only calculated the ground-state binding energies in cubic quantum dots by variational method. However, for first 9 excited-state binding energies, such dependence has complex manner since there are two or three peaks in the electronic probability density distribution curves. The strengths and positions of these peaks in RQD affect the interaction potential between electron and impurity, which appears to be the critical control on the binding energies of impurity. The applied electric field pushes the positions of these peaks downwards, and the strengths of peaks located at the upper half of RQD increase while the strengths of lower peaks firstly decrease, then increase with increasing electric field. The high peak strength can lead to increase of the binding energy while the large distance between the position of peak and impurity center results in reduce of the energy, which is an interesting competition. This competition is more obvious for excited-state binding energies of off-central impurity.

  10. Modification of g-C3N4 nanosheets by carbon quantum dots for highly efficient photocatalytic generation of hydrogen

    NASA Astrophysics Data System (ADS)

    Li, Kui; Su, Feng-Yun; Zhang, Wei-De

    2016-07-01

    Carbon quantum dots (CQDs) were deposited onto graphite-like carbon nitride nanosheets (CNNS) to form CNNS/CQDs composites. The prepared CNNS/CQDs composites exhibit much higher photocatalytic activity under visible light irradiation than pure CNNS do. The CNNS/CQDs-7 sample displays the highest photocatalytic performance, with H2 production rate of 116.1 μmol h-1, which is three times of that over pure CNNS (37.8 μmol h-1). Photoluminescence spectroscopy and photoelectrochemical (PEC) analysis reveal that the CQDs are favorable for trapping electrons and promoting the separation of photogenerated electron-hole pairs in CNNS. A possible photocatalytic mechanism of the enhanced photocatalytic performance for H2 generation over CNNS/CQDs will be proposed in this paper.

  11. Crystalline Al1 - x Ti x phases in the hydrogen cycled NaAlH4 + 0.02TiCl3 system

    NASA Astrophysics Data System (ADS)

    Pitt, M. P.; Vullum, P. E.; Sørby, M. H.; Emerich, H.; Paskevicius, M.; Buckley, C. E.; Gray, E. MacA.; Walmsley, J. C.; Holmestad, R.; Hauback, B. C.

    2013-03-01

    The hydrogen (H) cycled planetary milled (PM) NaAlH4 + 0.02TiCl3 system has been studied by high resolution synchrotron X-ray diffraction and transmission electron microscopy during the first 10 H cycles. After the first H absorption, we observe the formation of four nanoscopic crystalline (c-) Ti-containing phases embedded on the NaAlH4 surface, i.e. Al2Ti, Al3Ti, Al82Ti18 and Al89Ti11, with 100% of the originally added Ti atoms accounted for. Al2Ti and Al3Ti are observed morphologically as a mechanical couple on the NaAlH4 surface, with a moderately strained interface. Electron diffraction shows that the Al82Ti18 phase retains some ordering from the L12 structure type, with the observation of forbidden (100) ordering reflections in the fcc Al82Ti18 lattice. After 2 H cycles the NaAlH4 + 0.02TiCl3 system displays only two crystalline Ti-containing phases, Al3Ti and Al89Ti11. After 10 H cycles, the Al89Ti11 is completely converted to Al85Ti15. Al89Ti11, Al85Ti15 and Al3Ti do not display any ordering reflections, and they are modeled in the A1 structure type. Quantitative phase analysis indicates that the Al3Ti proportion continues to increase with further H cycles. The formation of Ti-poor Al1 - x Ti x (x < 0.25) phases in later H cycles is detrimental to hydrogenation kinetics, compared to the starting Ti-richer near-surface Al2Ti/NaAlH4 interface present during the first absorption of hydrogen.

  12. Estimating the hydrogen ion concentration in concentrated NaCl and Na{sub 2}SO{sub 4} electrolytes

    SciTech Connect

    Rai, D.; Felmy, A.R.; Juracich, S.P.; Rao, F.

    1995-06-01

    Combination glass electrodes were tested for determining H{sup +} concentrations in concentrated pure and mixed NaCl and Na{sub 2}SO{sub 4} solutions, as well as natural brine systems. NaCl, Na{sub 2}SO{sub 4}, and mixtures of NaCl and Na{sub 2}SO{sub 4} solutions were analyzed. Correction factors for estimating pC{sub H}{sup +} (negative logarithm of H{sup +} concentration) were determined from measured/observed pH values. Required Gran-type titrations were done with HCl and/or NaOH. The titration method is described and a step-by-step procedure provided; it has been used previously for determining pC{sub H}{sup +} values of synthetic chloride-dominated brines. Precautions are required to determine correction factors for electrolytes that react with H{sup +} or OH{sup {minus}} [sulfate brines for titration with acid; magnesium brines for titration with base because of precipitation of Mg(OH)2]. Correction factors A (pC{sub H}{sup +} = pH{sub ob} + A) from HCl titrations were similar to those from NaOH titrations where the concentration of free H{sup +} was calculated using a thermodynamic model. These values should be applicable to solns with a very large range in measured pH values (2 to 12). Because a large number of solns were titrated with HCl and the A values are similar for HCl and NaOH titrations, the A values for NaCl and Na2SO4 solns were fit as a function of molality to allow extrapolation. For NaCl solns 0 to 6.0 M, A can be obtained by multiplying the molality by 0.159. For Na2SO4 solns 0 to 2.0 M, the values of A can be obtained from (0.221 {minus} 0.549X + 0.201X{sup 2}), where X is the molality of Na{sub 2}SO{sub 4}. Orion-Ross electrode evaluations indicated that the A values did not differ significantly for different electrodes. Results suggest that the data in this report can be used to estimate A values for different NaCl and Na{sub 2}SO{sub 4} solns even for noncalibrated electrodes.

  13. Hydrogen bonding interaction between HO2 radical and selected organic acids, RCOOH (R = CH3, H, Cl and F)

    NASA Astrophysics Data System (ADS)

    Joshi, Ravi; Ghanty, Tapan K.

    2013-10-01

    A systematic study on the H-bonding interaction of hydroperoxyl radical with formic, acetic, chloroformic and fluoroformic acids has been carried out using B3LYP/6-311++G(2df,2p) and MP2/aug-cc-pVTZ methods. Several possible geometries have been considered, and the calculated global minima of RCOOH-HO2 have been found to be planar cyclic structure with two hydrogen bonds. A definite trend has been found between the electron donating character of the R group with calculated bond lengths, binding energies and vibrational frequencies. The most stable complex of RCOOH-HO2 with H2O has been found to be associated with a planar cyclic structure involving three hydrogen bonds.

  14. Absolute rate of the reaction of Cl(p-2) with molecular hydrogen from 200 - 500 K

    NASA Technical Reports Server (NTRS)

    Whytock, D. A.; Lee, J. H.; Michael, J. V.; Payne, W. A.; Stief, L. J.

    1976-01-01

    Rate constants for the reaction of atomic chlorine with hydrogen are measured from 200 - 500 K using the flash photolysis-resonance fluorescence technique. The results are compared with previous work and are discussed with particular reference to the equilibrium constant for the reaction and to relative rate data for chlorine atom reactions. Theoretical calculations, using the BEBO method with tunneling, give excellent agreement with experiment.

  15. Exogenous hydrogen peroxide, nitric oxide and calcium mediate root ion fluxes in two non-secretor mangrove species subjected to NaCl stress.

    PubMed

    Lu, Yanjun; Li, Niya; Sun, Jian; Hou, Peichen; Jing, Xiaoshu; Zhu, Huipeng; Deng, Shurong; Han, Yansha; Huang, Xuxin; Ma, Xujun; Zhao, Nan; Zhang, Yuhong; Shen, Xin; Chen, Shaoliang

    2013-01-01

    Using 3-month-old seedlings of Bruguiera gymnorrhiza (L.) Savigny and Kandelia candel (L.) Druce, we compared species differences in ionic homeostasis control between the two non-secretor mangrove species. A high salinity (400 mM NaCl, 4 weeks) resulted in a decline of the K(+)/Na(+) ratio in root and leaf tissues, and the reduction was more pronounced in K. candel (41-66%) as compared with B. gymnorrhiza (5-36%). Salt-altered flux profiles of Na(+), K(+), H(+) and Ca(2+) in roots and effects of exogenous hydrogen peroxide (H(2)O(2)), nitric oxide (NO) and Ca(2+) on root ion fluxes were examined in seedlings that were hydroponically treated short term with 100 mM NaCl (ST, 24 h) and long term with 200 mM NaCl (LT, 7 days). Short term and LT salinity resulted in Na(+) efflux and a correspondingly increased H(+) influx in roots of both species, although a more pronounced effect was observed in B. gymnorrhiza. The salt-enhanced exchange of Na(+) with H(+) was obviously inhibited by amiloride (a Na(+)/H(+) antiporter inhibitor) or sodium orthovanadate (a plasma membrane H(+)-ATPase inhibitor), indicating that the Na(+) efflux resulted from active Na(+) exclusion across the plasma membrane. Short term and LT salinity accelerated K(+) efflux in the two species, but K. candel exhibited a higher flux rate. The salt-induced K(+) efflux was markedly restricted by the K(+) channel blocker, tetraethylammonium chloride, indicating that the K(+) efflux is mediated by depolarization-activated channels, e.g., KORCs (outward rectifying K(+) channels) and NSCCs (non-selective cation channels). Exogenous H(2)O(2) application (10 mM) markedly increased the apparent Na(+) efflux and limited K(+) efflux in ST-treated roots, although H(2)O(2) caused a higher Na(+) efflux in B. gymnorrhiza roots. CaCl(2) (10 mM) reduced the efflux of K(+) in salinized roots of the two mangroves, but its enhancement of Na(+) efflux was found only in B. gymnorrhiza. Under ST treatment, sodium nitroprusside

  16. Investigation of the IR spectra of weakly hydrogen-bonded complex Cl3CH…O(CD3)2 in a cryosolution in liquid krypton

    NASA Astrophysics Data System (ADS)

    Melikova, S. M.; Rutkowski, K. S.

    2016-02-01

    The IR absorption spectra of cryosolutions of chloroform, dimethyl ether, and their mixtures in liquefied krypton have been measured. It has been shown that, in solutions of mixtures, Cl3CH…O(CD3)2 complexes with a weak hydrogen bond are formed. The spectral characteristics of individual absorption bands that refer to proton donors and to proton acceptors have been determined. From temperature measurements of the integrated intensities of the bands of monomers and of the complex ( T ~ 120-160 K), the enthalpy of the complex formation has been estimated. The measurement data have been analyzed in comparison with the results of ab initio calculations in terms of the MP2/6-311++G(2df, 2pd) approximation. The analysis has been done taking into account peculiarities of the dipole moment function of chloroform and possible effects of the anharmonic interaction between the C-H stretching vibration and the overtone of the Cl-C-H bending vibration.

  17. The vibration characterization of synthetic crystalline lead hydrogen arsenite chloride precipitates Pb2(HAsO3)Cl2-implications of solidification of As (III) and Pb (II).

    PubMed

    Liu, Juan; Jia, Ru; Liu, Jing

    2014-01-01

    The lead hydrogen arsenite chloride precipitates (Pb2(HAsO3)Cl2) are synthesized hydrothermally due to its structure trap for lead and arsenic. The synthetic precipitates have well-developed crystalline. The crystals of lead hydrogen arsenite chloride have a series of obvious IR bands at 790, 721, 645, 589 and 554 cm(-1). These bands are assigned to the Ag mode of As-O stretching vibration (790), the antisymmetric stretch of As-OH (721), Ag modes (554 and 589) and E1g (645) of the symmetric deformation (ν1 and ν3) of AsO3 unit. The Raman bands at 782, 723, 586, 559 cm(-1) are attributed to As-O stretching vibration (ν1) and the symmetric deformation (ν1 and ν3), of which the positions and assignments display in accordance with IR result. The most intense Raman band is found in 814 cm(-1) and is attributed to the Ag mode of ν1 symmetric stretching vibration of AsO3 unit, which is not active in IR. The SEM image shows that the precipitates have needle morphology. PMID:24121652

  18. 75 FR 59071 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2B16 (CL-604 Variants (Including CL-605...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-09-27

    ... in the Federal Register on June 2, 2010 (75 FR 30740). That NPRM proposed to correct an unsafe...'' under the DOT Regulatory Policies and Procedures (44 FR 11034, February 26, 1979); and 3. Will not have.... Model CL-600-2B16 (CL- 604 Variants (Including CL-605 Marketing Variant)) Airplanes AGENCY:...

  19. 75 FR 37994 - Airworthiness Directives; Bombardier, Inc. Model CL-600-1A11 (CL-600), CL-600-2A12 (CL-601), CL...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-07-01

    ... FR 6862). That NPRM proposed to correct an unsafe condition for the specified products. The MCAI... ``significant rule'' under the DOT Regulatory Policies and Procedures (44 FR 11034, February 26, 1979); and 3...) Bombardier, Inc. Model CL-600-1A11 (CL-600) airplanes, serial numbers 1004 through 1085 inclusive;...

  20. Ion hydration and associated defects in hydrogen bond network of water: Observation of reorientationally slow water molecules beyond first hydration shell in aqueous solutions of MgCl 2

    NASA Astrophysics Data System (ADS)

    Baul, Upayan; Vemparala, Satyavani

    2015-01-01

    Effects of the presence of ions, at moderate to high concentrations, on dynamical properties of water molecules are investigated through classical molecular dynamics simulations using two well-known nonpolarizable water models. Simulations reveal that the presence of magnesium chloride (MgCl2) induces perturbations in the hydrogen bond network of water leading to the formation of bulklike domains with ``defect sites'' on boundaries of such domains: water molecules at such defect sites have less number of hydrogen bonds than those in bulk water. Reorientational autocorrelation functions for dipole vectors of such defect water molecules are computed at different concentrations of ions and compared with system of pure water. Earlier experimental and simulation studies indicate significant differences in reorientational dynamics for water molecules in the first hydration shell of many dissolved ions. Results of this study suggest that defect water molecules, which are beyond the first hydration shells of ions, also experience significant slowing of reorientation times as a function of concentration in the case of MgCl2. However, addition of cesium chloride (CsCl) to water does not perturb the hydrogen bond network of water significantly even at higher concentrations. This difference in behavior between MgCl2 and CsCl is consistent with the well-known Hofmeister series.

  1. Enhanced chemiluminescence CdSe quantum dots by histidine and tryptophan

    NASA Astrophysics Data System (ADS)

    Hosseini, Morteza; Ganjali, Mohammad Reza; Jarrahi, Afsaneh; Vaezi, Zahra; Mizani, Farhang; Faridbod, Farnoush

    2014-11-01

    The enhancing effect of histidine and tryptophan on chemiluminescence (CL) of CdSe quantum dots (QDs)-H2O2 system was studied. This reaction is based on the catalytic effect of amino acids, causing a significant increase in the light emission, as a result of the reaction of quantum dots (QDs) with hydrogen peroxide. In the optimum conditions, this method was satisfactorily described by linear calibration curve in the range of 0.66-35.5 μM and 0.83-35.1 μM for histidine and tryptophan, respectively. The effect of various parameters such as concentration of CdSe QDs, concentration of H2O2 and concentration of imidazole on the intensity of CL system were studied. The main experimental advantage of the proposed method is it's selective to two amino acids compared with other amino acids.

  2. Target-Activated Modulation of Dual-Color and Two-Photon Fluorescence of Graphene Quantum Dots for in Vivo Imaging of Hydrogen Peroxide.

    PubMed

    Zhao, Wenjie; Li, Yinhui; Yang, Sheng; Chen, Yun; Zheng, Jing; Liu, Changhui; Qing, Zhihe; Li, Jishan; Yang, Ronghua

    2016-05-01

    The development of nanoprobes suitable for two-photon microscopy techniques is highly desirable for mapping biological species in living systems. However, at the current stage, the nanoprobes are restricted to single-color fluorescence changes, making it unsuitable for quantitative detection. To circumvent this problem, we report here a rational design of a dual-emission and two-photon (TP) graphene quantum dot (GQD(420)) probe for imaging of hydrogen peroxide (H2O2). For specific recognition of H2O2 and lighting the fluorescence of TPGQD(420), a boronate ester-functionalized merocyanine (BMC) fluorophore was used as both target-activated trigger and the dual-emission fluorescence modulator. Upon two-photon excitation at 740 nm, TPGQD(420)-BMC displays a green-to-blue resolved emission band in response to H2O2 with an emission shift of 110 nm, and the H2O2 can be determined from 0.2 to 40 μM with a detection limit of 0.05 μM. Moreover, the fluorescence response of the TPGQD(420)-BMC toward H2O2 is rapid and extremely specific. The feasibility of the proposed method is demonstrated by two-photon ratiometrically mapping the production of endogenous H2O2 in living cells as well as in deep tissues of murine mode at 0-600 μm. To the best of our knowledge, this is the first paradigm to rationally design a dual-emission and two-photon nanoprobe via fluorescence modulation of GQDs with switchable molecules, which will extend new possibility to design powerful molecular tools for in vivo bioimaging applications. PMID:27072323

  3. Quantum Dots

    NASA Astrophysics Data System (ADS)

    Tartakovskii, Alexander

    2012-07-01

    Part I. Nanostructure Design and Structural Properties of Epitaxially Grown Quantum Dots and Nanowires: 1. Growth of III/V semiconductor quantum dots C. Schneider, S. Hofling and A. Forchel; 2. Single semiconductor quantum dots in nanowires: growth, optics, and devices M. E. Reimer, N. Akopian, M. Barkelid, G. Bulgarini, R. Heeres, M. Hocevar, B. J. Witek, E. Bakkers and V. Zwiller; 3. Atomic scale analysis of self-assembled quantum dots by cross-sectional scanning tunneling microscopy and atom probe tomography J. G. Keizer and P. M. Koenraad; Part II. Manipulation of Individual Quantum States in Quantum Dots Using Optical Techniques: 4. Studies of the hole spin in self-assembled quantum dots using optical techniques B. D. Gerardot and R. J. Warburton; 5. Resonance fluorescence from a single quantum dot A. N. Vamivakas, C. Matthiesen, Y. Zhao, C.-Y. Lu and M. Atature; 6. Coherent control of quantum dot excitons using ultra-fast optical techniques A. J. Ramsay and A. M. Fox; 7. Optical probing of holes in quantum dot molecules: structure, symmetry, and spin M. F. Doty and J. I. Climente; Part III. Optical Properties of Quantum Dots in Photonic Cavities and Plasmon-Coupled Dots: 8. Deterministic light-matter coupling using single quantum dots P. Senellart; 9. Quantum dots in photonic crystal cavities A. Faraon, D. Englund, I. Fushman, A. Majumdar and J. Vukovic; 10. Photon statistics in quantum dot micropillar emission M. Asmann and M. Bayer; 11. Nanoplasmonics with colloidal quantum dots V. Temnov and U. Woggon; Part IV. Quantum Dot Nano-Laboratory: Magnetic Ions and Nuclear Spins in a Dot: 12. Dynamics and optical control of an individual Mn spin in a quantum dot L. Besombes, C. Le Gall, H. Boukari and H. Mariette; 13. Optical spectroscopy of InAs/GaAs quantum dots doped with a single Mn atom O. Krebs and A. Lemaitre; 14. Nuclear spin effects in quantum dot optics B. Urbaszek, B. Eble, T. Amand and X. Marie; Part V. Electron Transport in Quantum Dots Fabricated by

  4. The Role of Vibrational Excitation on the Dynamics of the F(^2P) + HCl → FH + Cl(2P) Hydrogen-Transfer Reaction

    NASA Astrophysics Data System (ADS)

    Ray, Sara E.; Vissers, G. W. M.; McCoy, Anne B.

    2010-06-01

    Recently, open-shell systems have gained interest in experimental and theoretical science. What proves interesting about these open-shell systems is that the potential energy surfaces often contain a van der Waals well in the reactant or product channel that allows researchers to probe the pre-reactive species. Here we present the results of time-dependent quantum wave packet calculations on the asymmetric hydrogen-transfer reaction of F(^SUP>2P) + HCl. In these calculations, the reaction is initiated by vibrationally exciting the HCl stretching motion of the pre-reactive F\\cdotsHCl complex in the van der Waals well. The wave packet is propagated on a three-dimensional, fully coupled potential energy surface that has been constructed based on electronic energies calculated at the multi-reference configuration interation+Davidson correction (MRCI+Q) level of theory with an aug-cc-pVnZ (n=2,3,4) basis. Product state distributions were calculated for reactions initiated in the first three vibrationally excited states of HCl, v=1, 2, and 3. Specifically, we analyzed the final electronic, vibrational, and rotational distributions. Previous studies on the hydrogen-transfer reaction of the Cl(^2P) + HCl system focused on whether vibrational excitation of the HCl stretch would promote the reaction and if so, how the reaction dynamics reflect the coupling among the diabatic potential surfaces that describe this system. We also compare our F(^2P) + HCl results to those of this related system. M. P. Deskevich, M. Y. Hayes, K. Takahashi, R. T. Skodje, and D. J. Nesbitt J. Chem. Phys., 124(22) 224303 (2006) G. W. M. Vissers and A. B. McCoy J. Phys Chem. A, 110 5978 (2006)

  5. Reactions between atomic chlorine and pyridine in solid para-hydrogen: Infrared spectrum of the 1-chloropyridinyl (C{sub 5}H{sub 5}N-Cl) radical

    SciTech Connect

    Das, Prasanta; Bahou, Mohammed; Lee, Yuan-Pern

    2013-02-07

    With infrared absorption spectra we investigated the reaction between Cl atom and pyridine (C{sub 5}H{sub 5}N) in a para-hydrogen (p-H{sub 2}) matrix. Pyridine and Cl{sub 2} were co-deposited with p-H{sub 2} at 3.2 K; a planar C{sub 5}H{sub 5}N-Cl{sub 2} complex was identified from the observed infrared spectrum of the Cl{sub 2}/C{sub 5}H{sub 5}N/p-H{sub 2} matrix. Upon irradiation at 365 nm to generate Cl atom in situ and annealing at 5.1 K for 3 min to induce secondary reaction, the 1-chloropyridinyl radical (C{sub 5}H{sub 5}N-Cl) was identified as the major product of the reaction Cl + C{sub 5}H{sub 5}N in solid p-H{sub 2}; absorption lines at 3075.9, 1449.7, 1200.6, 1148.8, 1069.3, 1017.4, 742.9, and 688.7 cm{sup -1} were observed. The assignments are based on comparison of observed vibrational wavenumbers and relative IR intensities with those predicted using the B3PW91/6-311++G(2d, 2p) method. The observation of the preferential addition of Cl to the N-site of pyridine to form C{sub 5}H{sub 5}N-Cl radical but not 2-, 3-, or 4-chloropyridine (ClC{sub 5}H{sub 5}N) radicals is consistent with the reported theoretical prediction that formation of the former proceeds via a barrierless path.

  6. Strong, positive-ion hydrogen bonds: The binary complexes formed from NH3, OH2, FH, PH3, SH2, and ClH

    NASA Astrophysics Data System (ADS)

    Desmeules, Peter J.; Allen, Leland C.

    1980-05-01

    A systematic, ab initio electronic structure analysis of the strong, positive-ion hydrogen bond is reported. Energies and wave functions have been obtained at the 4-31G level for the twenty-one complexes, (BṡṡṡH-A)+, where A,B=NH3, OH2, FH, PH3, SH2, ClH. The A-H bond length (r1), the BṡṡṡA separation (R(, and the angle (ϑ) measured relative to the symmetry axis of B have been optimized. Calculated dimerization energies ED are found to be in reasonable agreement with experiment. Charge density difference plots of these complexes exhibit a remarkable similarity to the pattern of alternating charge gain and loss known for the neutral H-bonded dimers. The proton donor is characterized by a charge gain region between A and the proton and charge loss on the proton; the electron donor by a charge loss between B and the proton. Four of the complexes (HFṡṡṡHṡṡṡFH)+, (H2OṡṡṡHṡṡṡOH2)+, (HClṡṡṡHṡṡṡClH)+, (HClṡṡṡHṡṡṡFH)+, have unusually short internuclear separations and show large charge gain around the protons. This is the first theoretical evidence of a transition from predominantly electrostatic to predominantly covalent binding in hydrogen bonding and it corroborates a recent experimental X-N study. An estimate of the amount of charge lost from the proton, ΔqH, has been obtained from the difference plots and is found to bear a linear relation with the dimerization energy ED for a series of complexes with a single proton donor. The inverse relation between ED and the difference in monomer proton affinities, ΔPA, reported in the literature for substituted pyridinium ions, is shown to hold as well for all A and B. Our calculated results also give a quantitative demonstration of the recently proposed inverse relationship between proton position and ΔPA. Several useful new organizing principles have been found: (a) R varies linearly with r2, the BṡṡṡH distance. Covalent bonding in the four complexes noted

  7. Kinetics of NiO and NiCl2 hydrogen reduction as precursors and properties of produced Ni/Al2O3 and Ni-Pd/Al2O3 catalysts.

    PubMed

    Sokić, Miroslav; Kamberović, Željko; Nikolić, Vesna; Marković, Branislav; Korać, Marija; Anđić, Zoran; Gavrilovski, Milorad

    2015-01-01

    The objects of this investigation were the comparative kinetic analysis of the NiO and NiCl2 reduction by hydrogen during an induction period and elimination of the calcination during the synthesis of Ni/Al2O3 catalysts. The effect of temperature and time on NiO and NiCl2 reduction degrees was studied. Avrami I equation was selected as the most favorable kinetic model and used to determine activation energy of the NiO and NiCl2 reduction for the investigated temperature range (623-923 K) and time intervals (1-5 minutes). The investigation enabled reaching conclusions about the reaction ability and rate of the reduction processes. Afterward, Ni/Al2O3 catalysts were obtained by using oxide and chloride precursor for Ni. The catalysts were supported on alumina-based foam and prepared via aerosol route. Properties of the samples before and after low-temperature hydrogen reduction (633 K) were compared. Obtained results indicated that the synthesis of Ni/Al2O3 catalysts can be more efficient if chloride precursor for Ni is directly reduced by hydrogen during the synthesis process, without the calcination step. In addition, Ni-Pd/Al2O3 catalysts with different metal content were prepared by using chloride precursors. Lower reduction temperature was utilized and the chlorides were almost completely reduced at 533 K. PMID:25789335

  8. Kinetics of NiO and NiCl2 Hydrogen Reduction as Precursors and Properties of Produced Ni/Al2O3 and Ni-Pd/Al2O3 Catalysts

    PubMed Central

    Sokić, Miroslav; Kamberović, Željko; Nikolić, Vesna; Marković, Branislav; Korać, Marija; Anđić, Zoran; Gavrilovski, Milorad

    2015-01-01

    The objects of this investigation were the comparative kinetic analysis of the NiO and NiCl2 reduction by hydrogen during an induction period and elimination of the calcination during the synthesis of Ni/Al2O3 catalysts. The effect of temperature and time on NiO and NiCl2 reduction degrees was studied. Avrami I equation was selected as the most favorable kinetic model and used to determine activation energy of the NiO and NiCl2 reduction for the investigated temperature range (623–923 K) and time intervals (1–5 minutes). The investigation enabled reaching conclusions about the reaction ability and rate of the reduction processes. Afterward, Ni/Al2O3 catalysts were obtained by using oxide and chloride precursor for Ni. The catalysts were supported on alumina-based foam and prepared via aerosol route. Properties of the samples before and after low-temperature hydrogen reduction (633 K) were compared. Obtained results indicated that the synthesis of Ni/Al2O3 catalysts can be more efficient if chloride precursor for Ni is directly reduced by hydrogen during the synthesis process, without the calcination step. In addition, Ni-Pd/Al2O3 catalysts with different metal content were prepared by using chloride precursors. Lower reduction temperature was utilized and the chlorides were almost completely reduced at 533 K. PMID:25789335

  9. Water-soluble organometallic compounds. 2. Catalytic hydrogenation of aldehydes and olefins by new water-soluble 1,3,5-Triaza-7-phosphaadamantane complexes of ruthenium and rhodium

    SciTech Connect

    Darensbourg, D.J.

    1992-06-01

    The authors describe the chemical preparation of water-soluble phosphine complexes of ruthenium (II) and rhodium (I). The complex RuCl{sub 2}(PTA){sub 4} (2a) and its protonated analog RuCl{sub 2}(PTA){sub 4}{center_dot} 2HCl (2b) and the cis-bis-(phosphine) complex RhCl(PTA){sub 2}{center_dot} 2HCl, derived form the protonation of RhCl(PTA){sub 3} by HCl were characterized by X-ray crystallography. 2a is catalytically active for the conversion of unsaturated aldehydes to unsaturated alcohols and RhCl(PTA){sub 3} catalyzes olefin hydrogenation. 14 refs., 2 figs., 1 tab.

  10. Anticooperativity of FHF hydrogen bonds in clusters of the type F- × (HF)n, RF × (HF)n and XF × (HF)n, R = alkyl and X = H, Br, Cl, F

    NASA Astrophysics Data System (ADS)

    Kucherov, S. Yu.; Bureiko, S. F.; Denisov, G. S.

    2016-02-01

    Properties of twenty five hydrogen-bonded complexes, namely, F- × (HF)n (n = 1-6), RF × (HF)n (R = t-Bu, i-Pr, Et, Me; n = 1-3), XF × (HF)n (X = H, Br, Cl; n = 1-2), and FF…HF with the hydrogen bond energy varying in a wide range have been calculated using ab initio methods at the MP2/6-31++G** level. For the first time, the energies, geometrical parameters and vibrational frequencies are obtained for the series of clusters, where the bonding character changes from covalent to van der Waals on the variation of proton-acceptor ability of the base, and the energies are in the range of 45-1 kcal/mol. The mutual influence of multiple hydrogen bonds of F…HF type in clusters, in which a fluorine anion or an atom participates in hydrogen bond formation as the acceptor, is systematically investigated. The relative changes in the values of the considered parameters on the sequential addition of an HF molecule (anticooperativity) were determined. It was shown that non-additivity of the interaction is most strongly pronounced in the energy and vibrational frequency values, geometrical parameters of hydrogen bonds are less sensitive to the mutual influence. The anticooperative effect is more pronounced on the hydrogen bridge length R(F...F) than on the geometry of proton donor r(HF). The hydrogen bond formation and the increase of the number n of ligands lead to successive lengthening of the r(XF) bond adjacent to the hydrogen bridge. The length of an XF bond changes stronger on formation of each hydrogen bond than the HF bond length.

  11. Hydrogen-bond-directed assemblies of [La(18-crown-6)(H2O)4](BiCl6)·3H2O and [Nd(18-crown-6)(H2O)4](BiCl6)·3.5H2O regulated by different symmetries

    NASA Astrophysics Data System (ADS)

    Zhang, Shi-Yong; Li, Jian; Zeng, Ying; Wen, He-Rui; Du, Zi-Yi

    2016-12-01

    The reactions of La2O3 or Nd2O3 with BiCl3 and 18-crown-6 in the presence of excessive hydrochloric acid afforded two ion-pair compounds, namely [La(18-crown-6)(H2O)4](BiCl6)·3H2O (1) and [Nd(18-crown-6)(H2O)4](BiCl6)·3.5H2O (2). Although these two compounds contain similar building blocks, they exhibit two distinct hydrogen-bonded networks, which are mainly induced by the slightly different geometries of their large-sized cationic [Ln(18-crown-6)(H2O)4]3+ components.

  12. Impact of deformation energy on the hydrogen bonding interactions in gas phase 3-X catechol ⋯ H2O complexes (X = H, F, Cl, Br): The effect of approach of a water molecule

    NASA Astrophysics Data System (ADS)

    Deb, Debojit Kumar; Sarkar, Biplab

    2016-06-01

    The conformations and nature of hydrogen bonding interactions for 3-X catechol ⋯ H2O (X = H, F, Cl, Br) has been investigated by ab initio MP2, CCSD(T), and density functional B3LYP, wB97XD and M06-2X methods. The changes in interaction energies due to deformation of the structures has been studied in detail. The intra- and intermolecular hydrogen bonding interactions due to the different direction of approach of water molecule have been discussed. A detailed natural bond orbital (NBO) analysis and the symmetry-adapted perturbation theory (SAPT) based energy decomposition analysis has been carried out to elucidate interaction strength and properties in these hydrogen bonded systems. The charge transfer percentage (CTP) has been derived which will be universally useful for correlating binding energy, deformation energy and the geometrical parameters such as angles, bond lengths, etc. for other systems as well.

  13. Infrared identification of the {sigma}-complex of Cl-C{sub 6}H{sub 6} in the reaction of chlorine atom and benzene in solid para-hydrogen

    SciTech Connect

    Bahou, Mohammed; Witek, Henryk; Lee, Yuan-Pern

    2013-02-21

    The reaction of a chlorine atom with benzene (C{sub 6}H{sub 6}) is important in organic chemistry, especially in site-selective chlorination reactions, but its product has been a subject of debate for five decades. Previous experimental and theoretical studies provide no concrete conclusion on whether the product is a {pi}- or {sigma}-form of the Cl-C{sub 6}H{sub 6} complex. We took advantage of the diminished cage effect of para-hydrogen (p-H{sub 2}) to produce Cl in situ to react with C{sub 6}H{sub 6} (or C{sub 6}D{sub 6}) upon photolysis of a Cl{sub 2}/C{sub 6}H{sub 6} (or C{sub 6}D{sub 6})/p-H{sub 2} matrix at 3.2 K. The infrared spectrum, showing intense lines at 1430.5, 833.6, 719.8, 617.0, and 577.4 cm{sup -1}, and several weaker ones for Cl-C{sub 6}H{sub 6}, and the deuterium shifts of observed new lines unambiguously indicate that the product is a 6-chlorocyclohexadienyl radical, i.e., the {sigma}-complex of Cl-C{sub 6}H{sub 6}. Observation of the {sigma}-complex rather than the {pi}-complex indicates that the {sigma}-complex is more stable in solid p-H{sub 2} at 3.2 K. The spectral information is crucial for further investigations of the Cl + C{sub 6}H{sub 6} reaction either in the gaseous or solution phase.

  14. Infrared spectroscopy and ab initio study of hydrogen bonded Cl3CD·N(CH3)3 complex in the gas phase

    NASA Astrophysics Data System (ADS)

    Rutkowski, K. S.; Melikova, S. M.; Linok, O. V.; Czarnik-Matusewicz, B.; Rospenk, M.

    2015-02-01

    FTIR spectra of the gas phase Cl3CD + TMA mixture have been studied at room temperature in ∼800-4000 cm-1 frequency domain. The formation of the H-bonded Cl3CD…TMA complex has been detected. Spectroscopic parameters of the band ascribed to the complex were evaluated. MP2 frozen core ab initio calculations have been carried out with the Pople-type 6-311++G(d,p) basis set. The equilibrium geometries and harmonic vibrational frequencies of the complex were obtained using CP-corrected gradient techniques. The ''freq = anharm'' option has been tested for Cl3CD monomer and Cl3CD…TMA complex to examine possible anharmonic effects on the vibrations localized on the proton donor. The effects of Darling-Dennison and Fermi resonances on the frequency of the stretching vibration of the CH proton donor were analyzed.

  15. An ab initio molecular dynamics study of the liquid-vapor interface of an aqueous NaCl solution: inhomogeneous density, polarity, hydrogen bonds, and frequency fluctuations of interfacial molecules.

    PubMed

    Choudhuri, Jyoti Roy; Chandra, Amalendu

    2014-11-21

    We have presented a first principles simulation study of the structural and dynamical properties of a liquid-vapor interfacial system of a concentrated (5.3 M) aqueous NaCl solution. We have used ab initio molecular dynamics to examine the structural and dynamical properties of the bulk and interfacial regions. The structural aspects of the system that have been considered here include the inhomogeneous density profiles of ions and water molecules, hydrogen bond distributions, orientational profiles, and also vibrational frequency distributions in the bulk and interfacial regions. It is found that the sodium ions are mostly located in the interior, while the chloride anions occupy a significant portion of the interface of the slab. The water dipoles at the interface prefer to orient parallel to the surface. The dynamical aspects of the interfaces are investigated in terms of diffusion, orientational relaxation, hydrogen bond dynamics, and vibrational spectral diffusion. The results of the interfacial dynamics are compared with those of the corresponding bulk region. It is observed that the interfacial molecules exhibit faster diffusion and orientational relaxation with respect to the bulk. However, the interfacial molecules are found to have longer hydrogen bond lifetimes than those of the bulk. We have also investigated the correlations of hydrogen bond relaxation with the vibrational frequency fluctuations of interfacial water molecules. PMID:25416903

  16. Effects of external fields, the hydrostatic pressure and temperature on the electronic Raman scattering of a hydrogenic impurity in a two-dimensional parabolic quantum dot

    NASA Astrophysics Data System (ADS)

    Hashemi, G.; Rezaei, G.

    2015-09-01

    In this paper, we have investigated the electron Raman scattering associated with a donor impurity in a two-dimensional parabolic quantum dot under the influence of external electric and magnetic fields, the hydrostatic pressure and temperature. To this end, energy eigenvalues and corresponding eigenvectors are calculated using the direct matrix diagonalization method and the differential cross-section is obtained via the Fermi‧s golden rule. Our results indicate that the differential cross-section of the system is strongly affected by the external fields, the hydrostatic pressure, temperature, the confinement potential, and the polarization vectors of incident and scattered lights.

  17. Theory Of Alkyl Terminated Silicon Quantum Dots

    SciTech Connect

    Reboredo, F; Galli, G

    2004-08-19

    We have carried out a series of ab-initio calculations to investigate changes in the optical properties of Si quantum dots as a function of surface passivation. In particular, we have compared hydrogen passivated dots with those having alkyl groups at the surface. We find that, while on clusters with reconstructed surfaces a complete alkyl passivation is possible, steric repulsion prevents full passivation of Si dots with unreconstructed surfaces. In addition, our calculations show that steric repulsion may have a dominant effect in determining the surface structure, and eventually the stability of alkyl passivated clusters, with results dependent on the length of the carbon chain. Alkyl passivation weakly affects optical gaps of silicon quantum dots, while it substantially decreases ionization potentials and electron affinities and affect their excited state properties. On the basis of our results we propose that alkyl terminated quantum dots may be size selected taking advantage of the change in ionization potential as a function of the cluster size.

  18. Ternary Isothermal Diffusion Coefficients of NaCl-MgCl2-H2O at 25 C. 7. Seawater Composition

    SciTech Connect

    Miller, D G; Lee, C M; Rard, J A

    2007-02-12

    The four diffusion coefficients D{sub ij} of the ternary system NaCl-MgCl{sub 2}-H{sub 2}O at the simplified seawater composition 0.48877 mol {center_dot} dm{sup -3} NaCl and 0.05110 mol {center_dot} dm{sup -3} MgCl{sub 2} have been remeasured at 25 C. The diffusion coefficients were obtained using both Gouy and Rayleigh interferometry with the highly precise Gosting diffusiometer. The results, which should be identical in principle, are essentially the same within or very close to their combined 'realistic' errors. This system has a cross-term D{sub 12} that is larger than the D{sub 22} main-term, where subscript 1 denotes NaCl and 2 denotes MgCl{sub 2}. The results are compared with earlier, less-precise measurements. Recommended values for this system are (D{sub 11}){sub V} = 1.432 x 10{sup -9} m{sup 2} {center_dot} sec{sup -1}, (D{sub 12}){sub V} = 0.750 x 10{sup -9} m{sup 2} {center_dot} sec{sup -1}, (D{sub 21}){sub V} = 0.0185 x 10{sup -9} m{sup 2} {center_dot} sec{sup -1}, and (D{sub 22}){sub V} = 0.728 x 10{sup -9} m{sup 2} {center_dot} sec{sup -1}.

  19. Improved activity and thermo-stability of the horse radish peroxidase with graphene quantum dots and its application in fluorometric detection of hydrogen peroxide

    NASA Astrophysics Data System (ADS)

    Xiaoyan, Zhou; Yuanyuan, Jiang; Zaijun, Li; Zhiguo, Gu; Guangli, Wang

    2016-08-01

    Graphene quantum dots (GQDs) have received extensive concern in many fields such as optical probe, bioimaging and biosensor. However, few reports refer on the influence of GQDs on enzyme performance. The paper reports two kinds of graphene quantum dots (termed as GO-GQDs and N,S-GQDs) that were prepared by cutting of graphene oxide and pyrolysis of citric acid and L-cysteine, and their use for the horse radish peroxidase (HRP) modification. The study reveals that GO-GQDs and N,S-GQDs exhibit an opposite effect on the HRP performance. Only HRP modified with GO-GQDs offers an enhanced activity (more than 1.9 times of pristine enzyme) and thermo-stability. This is because GO-GQDs offer a larger conjugate rigid plane and fewer hydrophilic groups compared to N,S-GQDs. The characteristics can make GO-GQDs induce a proper conformational change in the HRP for the catalytic performance, improving the enzyme activity and thermo-stability. The HRP modified with green luminescent GO-GQDs was also employed as a biocatalyst for sensing of H2O2 by a fluorometric sensor. The colorless tetramethylbenzidine (TMB) is oxidized into blue oxidized TMB in the presence of H2O2 by the assistance of HRP/GO-GQDs, leading to an obvious fluorescence quenching. The fluorescence intensity linearly decreases with the increase of H2O2 concentration in the range from 2 × 10 - 9 to 2 × 10 - 4 M with the detection limit of 6.8 × 10 - 10 M. The analytical method provides the advantage of sensitivity, stability and accuracy compared with present H2O2 sensors based on the pristine HRP. It has been successfully applied in the determination of H2O2 in real water samples. The study also opens a new avenue for modification of enzyme activity and stability that offers great promise in applications such as biological catalysis, biosensing and enzyme engineering.

  20. Improved activity and thermo-stability of the horse radish peroxidase with graphene quantum dots and its application in fluorometric detection of hydrogen peroxide.

    PubMed

    Xiaoyan, Zhou; Yuanyuan, Jiang; Zaijun, Li; Zhiguo, Gu; Guangli, Wang

    2016-08-01

    Graphene quantum dots (GQDs) have received extensive concern in many fields such as optical probe, bioimaging and biosensor. However, few reports refer on the influence of GQDs on enzyme performance. The paper reports two kinds of graphene quantum dots (termed as GO-GQDs and N,S-GQDs) that were prepared by cutting of graphene oxide and pyrolysis of citric acid and l-cysteine, and their use for the horse radish peroxidase (HRP) modification. The study reveals that GO-GQDs and N,S-GQDs exhibit an opposite effect on the HRP performance. Only HRP modified with GO-GQDs offers an enhanced activity (more than 1.9 times of pristine enzyme) and thermo-stability. This is because GO-GQDs offer a larger conjugate rigid plane and fewer hydrophilic groups compared to N,S-GQDs. The characteristics can make GO-GQDs induce a proper conformational change in the HRP for the catalytic performance, improving the enzyme activity and thermo-stability. The HRP modified with green luminescent GO-GQDs was also employed as a biocatalyst for sensing of H2O2 by a fluorometric sensor. The colorless tetramethylbenzidine (TMB) is oxidized into blue oxidized TMB in the presence of H2O2 by the assistance of HRP/GO-GQDs, leading to an obvious fluorescence quenching. The fluorescence intensity linearly decreases with the increase of H2O2 concentration in the range from 2×10-9 to 2×10-4M with the detection limit of 6.8×10-10M. The analytical method provides the advantage of sensitivity, stability and accuracy compared with present H2O2 sensors based on the pristine HRP. It has been successfully applied in the determination of H2O2 in real water samples. The study also opens a new avenue for modification of enzyme activity and stability that offers great promise in applications such as biological catalysis, biosensing and enzyme engineering. PMID:27116472

  1. Fluorescent carbon dot (C-dot) nanoclusters

    NASA Astrophysics Data System (ADS)

    Wang, Guan; Pan, Xiaoyong; Gu, Liuqun; Ren, Wei; Cheng, Weiren; Kumar, Jatin N.; Liu, Ye

    2014-09-01

    Fluorescent carbon dot (C-dot) nanoclusters composed of C-dot-loaded hollow silica spheres are obtained via the dehydration of mannose, which is adsorbed onto hollow silica spheres or poly(ethylene glycol)-graft-hollow silica spheres (PEG-g-hollow silica). The structure of C-dot nanoclusters are confirmed using 1H NMR, FTIR, TEM and TGA. C-dot nanoclusters show a redshifted fluorescence emission with an increased excitation wavelength. Passivation with PEG diamines improve the quantum yields to ˜2%. Confocal laser scanning microscopy (CLSM) results reflect the fact that C-dot nanoclusters can provide good cytoplasm imaging of live Hep G2 cells and live MCF-7 cells, and the imaging obtained is brighter and more even than those from free C-dots. With their combination of good photostability and low cytotoxicity, C-dot nanoclusters are promising for the production of higher quality bioimaging.

  2. Structural features of the reactives sites in {alpha}-M(DPO{sub 4}){sub 2}{center_dot}D{sub 2}O (M = Ti, Zr, Pb): Hydrogen-bond network and framework

    SciTech Connect

    Losilla, E.R.; Aranda, M.A.G.; Bruque, S.

    1996-09-01

    Three crystalline layered metal (IV) acid phosphates {alpha}-M(DPO{sub 4}){sub 2}{center_dot}D{sub 2}O, {alpha}-MP, (M = Zr, Ti, Pb) have been hydrothermally synthesized and the size and shape of the microparticles have been analyzed by the Scherrer method. The crystal structures of {alpha}-ZrP and {alpha}-TiP have been refined from a combined X-ray and neutron powder diffraction study by the Rietveld method. These hydrogen phosphates are isomorphous and belong to the {alpha}-ZrP-type structure. However, this precise powder diffraction study has shown that the frameworks and hydrogen-bond networks of these materials are slightly different. The unit cell volume of {alpha}-ZrP is larger than that of {alpha}-TiP because the layers in {alpha}-ZrP are less corrugated than those in {alpha}-TiP. The H-bond network is also slightly different, as in {alpha}-ZrP there is not H bonding between the layers, the shortest contact being O(7) {hor_ellipsis} D(4) of 2.56(3) {angstrom}. For {alpha}-TiP this contact is much shorter, 2.33(2) {angstrom}, which may indicate a small but not negligible H-bond interaction between layers. Moreover, the intralayer H bonds are weaker in {alpha}-ZrP than in {alpha}-TiP as evidenced in the O(4) {hor_ellipsis} D(3) interactions of 2.41(3) and 2.16(2) {angstrom} respectively.

  3. Branched polyethylenimine improves hydrogen photoproduction from a CdSe quantum dot/[FeFe]-hydrogenase mimic system in neutral aqueous solutions.

    PubMed

    Liang, Wen-Jing; Wang, Feng; Wen, Min; Jian, Jing-Xin; Wang, Xu-Zhe; Chen, Bin; Tung, Chen-Ho; Wu, Li-Zhu

    2015-02-16

    Nature uses hydrogenase enzyme to catalyze proton reduction at pH 7 with overpotentials and catalytic efficiencies that rival platinum electrodes. Over the past several years, [FeFe]-hydrogenase ([FeFe]-H2 ase) mimics have been demonstrated to be effective catalysts for light-driven H2 evolution. However, it remains a significant challenge to realize H2 production by such an artificial photosynthetic system in neutral aqueous solution. Herein, we report a new system for photocatalytic H2 evolution working in a broad pH range, especially under neutral conditions. This unique system is consisted of branched polyethylenimine (PEI)-grafted [FeFe]-H2 ase mimic (PEI-g-Fe2 S2 ), MPA-CdSe quantum dots (MPA=mercaptopropionic acid), and ascorbic acid (H2 A) in water. Due to the secondary coordination sphere of PEI, which has high buffering capacity and stabilizing ability, the system is able to produce H2 under visible-light irradiation with turnover number of 10 600 based on the Fe2 S2 active site in PEI-g-Fe2 S2 . The stability and activity are much better than that of the same system under acidic or basic conditions and they are, to the best of our knowledge, the highest known to date for photocatalytic H2 evolution from a [FeFe]-H2 ase mimic in neutral aqueous solution. PMID:25572459

  4. Structure and magnetotransport properties of the new quasi-two-dimensional molecular metal {beta} Double-Prime -(BEDT-TTF){sub 4}H{sub 3}O[Fe(C{sub 2}O{sub 4}){sub 3}] {center_dot} C{sub 6}H{sub 4}Cl{sub 2}

    SciTech Connect

    Zorina, L. V.; Prokhorova, T. G.; Simonov, S. V. Khasanov, S. S.; Shibaeva, R. P.; Manakov, A. I.; Zverev, V. N.; Buravov, L. I.; Yagubskii, E. B.

    2008-02-15

    The {beta} Double-Prime -(BEDT-TTF){sub 4}A{sup I}[M{sup III}(C{sub 2}O{sub 4}){sub 3}] {center_dot} G(A{sup I}=NH{sub 4}{sup +}, H{sub 3}O{sup +}, K{sup +}, Rb{sup +}; M{sup III}=Fe, Cr; G = 'guest' solvent molecule) family of layered molecular conductors with magnetic metal oxalate anions exhibits a pronounced dependence of the conducting properties on the type of neutral solvent molecules introduced into the complex anion layer. A new organic dichlorobenzene (C{sub 6}H{sub 4}Cl{sub 2})-containing conductor of this family, namely, {beta} Double-Prime -(BEDT-TTF){sub 4}H{sub 3}O[Fe(C{sub 2}O{sub 4}){sub 3}] {center_dot} C{sub 6}H{sub 4}Cl{sub 2}, is synthesized. The structure of the synthesized single crystals studied by X-ray diffraction is characterized by the following parameters: a = 10.421(1) A, b= 19.991(2) A, c= 35.441(3) A, {beta} = 92.87(1) Degree-Sign , V= 7374(1) A{sup 3}, space groupC2/c, and Z = 4. In the temperature range 0.5 and 2-300 K, the conductivity of the crystals is metallic without changing into a superconducting state. The magnetotransport properties of the crystals are examined in magnetic fields up to 17 T at T = 0.5 K. In fields higher than 10 T, Shubnikov-de Haas oscillations are detected, and the Fourier spectrum of these oscillations contains two frequencies with maximum amplitudes of about 80 and 375 T. The experimental results are compared with the related data obtained for other phases of this family. The possible structural mechanisms of the effect of a guest solvent molecule on the transport properties of the {beta} Double-Prime -(BEDT-TTF){sub 4}A{sup I}[M{sup III}(C{sub 2}O{sub 4}){sub 3}] {center_dot} G crystals are analyzed.

  5. Solvation Thermodynamic Properties of Hydrogen Sulfide in [C4mim][PF6], [C4mim][BF4], and [C4mim][Cl] Ionic Liquids, Determined by Molecular Simulations.

    PubMed

    Sánchez-Badillo, Joel; Gallo, Marco; Alvarado, Sandra; Glossman-Mitnik, Daniel

    2015-08-20

    Removal of hydrogen sulfide (H2S) and acid gases from natural gas is accomplished by absorption processes using a solvent. The gas solubility in a liquid can be used to measure the degree of removal of the gas and is quantified by the Henry's constant, the free energy of solvation at infinite dilution, or the excess chemical potential. In this work, Henry's constants and thermodynamic properties of solvation of H2S were calculated in three ionic liquids: [C4mim][PF6], [C4mim][BF4], and [C4mim][Cl] ([C4mim], 1-butyl-3-methyl imidazolium). The first step in this work was the evaluation of the force fields for the gas and condensed phases in order to obtain accurate values for the excess chemical potential for H2S on each ionic liquid using free energy perturbation techniques. In the H2S-[C4mim][PF6] and H2S-[C4mim][BF4] systems, the results obtained by molecular simulation agree with the experimental values reported in the literature. However, the solvation free energy calculated for the H2S-[C4mim][Cl] system can be considered predictive because of the lack of experimental data at the simulated conditions. Based on these results, the best solvent for removing H2S is [C4mim][Cl] because it has the highest affinity for this species (lowest value of the Henry's constant). Also, solvation thermodynamic properties such as enthalpy and entropy were calculated in order to evaluate their contribution to the free energy of solvation. PMID:26237624

  6. Theoretical Studies of the Role of Vibrational Excitation on the Dynamics of the Hydrogen-Transfer Reaction of F(^2P) + HCl → FH + Cl({^2}P)

    NASA Astrophysics Data System (ADS)

    Ray, Sara E.; Vissers, Gé W. M.; McCoy, Anne B.

    2009-06-01

    Hydrogen-transfer reactions are probed through vibrational excitation of the HCl bond in the pre-reactive F\\cdotsHCl complex. Such open-shell species provide a challenge for quantum dynamical calculations due to the need to take into account multiple potential energy surfaces to accurately describe the system.A three-dimensional, fully-coupled potential energy surface has been constructed based on electronic energies calculated at the multireference configuration interaction+Davidson correction (MRCI+Q) level of theory with an aug-cc-pVnZ (n=2,3,4) basis. Spin orbit calculations have also been included. Here we present the results of time-dependent quantum wave packet calculations on the asymmetric hydrogen-transfer reaction of F(^2P) + HCl. In these calculations, the reaction is initiated by vibrationally exciting the HCl stretching motion in the pre-reactive F\\cdotsHCl complex. The wave packet is propagated on the coupled potential energy surfaces. Product state distributions were calculated for reactions initiated in the first three vibrationally excited states of HCl, v=1-3. M. P. Deskevich, M. Y. Hayes, K. Takahashi, R. T. Skodje, and D. J. Nesbitt J. Chem. Phys. 124 (22) 224303 (2006) M. P. Deskevich and D. J. Nesbitt private communication(2007)

  7. Ionic hydrogen bond and ion solvation. 6. Interaction energies of the acetate ion with organic molecules. Comparison of CH/sub 3/COO/sup -/ with Cl/sup -/, CN/sup -/, and SH/sup -/

    SciTech Connect

    Meot-Ner Mautner, M.

    1988-06-08

    The interaction energies of CH/sub 3/COO/sup -/ with protic and aprotic molecules were measured by pulsed high-pressure mass spectrometry. The attachment energies of the first three water molecules are 15.8, 12.8, and 11.8 kcal/mol. The rapid approach to ..delta..H/sub condsn/(H/sub 2/O) shows that ionic interactions are accounted for mostly by the first two solvent molecules. CH/sub 3/COO/sup -/ hydrogen bonds strongly to NH acids such as pyrrole, amides, and aniline, with ..delta..H/sup 0//sub D/ = 25-31 kcal/mol. With the carbon acids CH/sub 3/CHO, CH/sub 3/COCH/sub 3/, and CH/sub 3/CN as ligands, the attachment energies are 14-16 kcal/mol and the interactions may involve multiple O/sup -/..HC bonds. Despite the fact that the ions CH/sub 3/COO/sup -/, Cl/sup -/, CN/sup -/, and SH/sup -/ differ in size, structure, electronegativity, isotropy, and available bonding sites, they bond with similar strengths to most OH, NH, and CH hydrogen donors, from H/sub 2/O to large organic molecules such as the dipeptide analogue CH/sub 3/CO-Ala-OCH/sub 3/. Also, the four ions show similar clustering energies with n H/sub 2/O and HCN molecules (n = 1-4).

  8. Free radical hydrogen atom abstraction from saturated hydrocarbons: A crossed-molecular-beams study of the reaction Cl + C{sub 3}H{sub 8} {yields} HCl + C{sub 3}H{sub 7}

    SciTech Connect

    Blank, D.A.; Hemmi, N.; Suits, A.G.; Lee, Y.T.

    1997-04-01

    The abstraction of hydrogen atoms from saturated hydrocarbons are reactions of fundamental importance in combustion as well as often being the rate limiting step in free radical substitution reactions. The authors have begun studying these reactions under single collision conditions using the crossed molecular beam technique on beamline 9.0.2.1, utilizing VUV undulator radiation to selectively ionize the scattered hydrocarbon free radical products (C{sub x}H{sub 2x+1}). The crossed molecular beam technique involves two reactant molecular beams fixed at 90{degrees}. The molecular beam sources are rotatable in the plane defined by the two beams. The scattered neutral products travel 12.0 cm where they are photoionized using the VUV undulator radiation, mass selected, and counted as a function of time. In the authors initial investigations they are using halogen atoms as protypical free radicals to abstract hydrogen atoms from small alkanes. Their first study has been looking at the reaction of Cl + propane {r_arrow} HCl + propyl radical. In their preliminary efforts the authors have measured the laboratory scattering angular distribution and time of flight spectra for the propyl radical products at collision energies of 9.6 kcal/mol and 14.9 kcal/mol.

  9. Reactions between chlorine atom and acetylene in solid para-hydrogen: Infrared spectrum of the 1-chloroethyl radical

    SciTech Connect

    Golec, Barbara; Lee, Yuan-Pern

    2011-10-28

    We applied infrared matrix isolation spectroscopy to investigate the reactions between Cl atom and acetylene (C{sub 2}H{sub 2}) in a para-hydrogen (p-H{sub 2}) matrix at 3.2 K; Cl was produced via photodissociation at 365 nm of matrix-isolated Cl{sub 2} in situ. The 1-chloroethyl radical ({center_dot}CHClCH{sub 3}) and chloroethene (C{sub 2}H{sub 3}Cl) are identified as the main products of the reaction Cl + C{sub 2}H{sub 2} in solid p-H{sub 2}. IR absorption lines at 738.2, 1027.6, 1283.4, 1377.1, 1426.6, 1442.6, and 2861.2 cm{sup -1} are assigned to the 1-chloroethyl radical. For the reaction of Cl + C{sub 2}D{sub 2}, lines due to the {center_dot}CDClCH{sub 2}D radical and trans-CHDCDCl are observed; the former likely has a syn-conformation. These assignments are based on comparison of observed vibrational wavenumbers and {sup 13}C- and D-isotopic shifts with those predicted with the B3LYP/aug-cc-pVDZ and MP2/aug-cc-pVDZ methods. Our observation indicates that the primary addition product of Cl + C{sub 2}H{sub 2}, 2-chlorovinyl ({center_dot}CHCHCl) reacts readily with a neighboring p-H{sub 2} molecule to form {center_dot}CHClCH{sub 3} and C{sub 2}H{sub 3}Cl. Observation of {center_dot}CDClCH{sub 2}D and trans-CHDCDCl from Cl + C{sub 2}D{sub 2} further supports this conclusion. Although the reactivity of p-H{sub 2} appears to be a disadvantage for making highly reactive free radicals in solid p-H{sub 2}, the formation of 1-chloroethyl radical indicates that this secondary reaction might be advantageous in producing radicals that are difficult to prepare from simple photolysis or bimolecular reactions in situ.

  10. Reactions between chlorine atom and acetylene in solid para-hydrogen: Infrared spectrum of the 1-chloroethyl radical

    SciTech Connect

    Golec, Barbara; Lee, Yuan-Pern

    2011-11-07

    We applied infrared matrix isolation spectroscopy to investigate the reactions between Cl atom and acetylene (C{sub 2}H{sub 2}) in a para-hydrogen (p-H{sub 2}) matrix at 3.2 K; Cl was produced via photodissociation at 365 nm of matrix-isolated Cl{sub 2} in situ. The 1-chloroethyl radical ({center_dot}CHClCH{sub 3}) and chloroethene (C{sub 2}H{sub 3}Cl) are identified as the main products of the reaction Cl + C{sub 2}H{sub 2} in solid p-H{sub 2}. IR absorption lines at 738.2, 1027.6, 1283.4, 1377.1, 1426.6, 1442.6, and 2861.2 cm{sup -1} are assigned to the 1-chloroethyl radical. For the reaction of Cl + C{sub 2}D{sub 2}, lines due to the {center_dot}CDClCH{sub 2}D radical and trans-CHDCDCl are observed; the former likely has a syn-conformation. These assignments are based on comparison of observed vibrational wavenumbers and {sup 13}C- and D-isotopic shifts with those predicted with the B3LYP/aug-cc-pVDZ and MP2/aug-cc-pVDZ methods. Our observation indicates that the primary addition product of Cl + C{sub 2}H{sub 2}, 2-chlorovinyl ({center_dot}CHCHCl) reacts readily with a neighboring p-H{sub 2} molecule to form {center_dot}CHClCH{sub 3} and C{sub 2}H{sub 3}Cl. Observation of {center_dot}CDClCH{sub 2}D and trans-CHDCDCl from Cl + C{sub 2}D{sub 2} further supports this conclusion. Although the reactivity of p-H{sub 2} appears to be a disadvantage for making highly reactive free radicals in solid p-H{sub 2}, the formation of 1-chloroethyl radical indicates that this secondary reaction might be advantageous in producing radicals that are difficult to prepare from simple photolysis or bimolecular reactions in situ.

  11. Is It Homogeneous or Heterogeneous Catalysis Derived from [RhCp*Cl2]2? In Operando-XAFS, Kinetic and Crucial Kinetic Poisoning Evidence for Subnanometer Rh4 Cluster-Based Benzene Hydrogenation Catalysis

    SciTech Connect

    Bayram, Ercan; Linehan, John C.; Fulton, John L.; Roberts, John A.; Szymczak, Nathaniel; Smurthwaite, Tricia D.; Ozkar, Saim; Balasubramanian, Mahalingam; Finke, Richard G.

    2011-11-23

    Determining the true, kinetically dominant catalytically active species, in the classic benzene hydrogenation system pioneered by Maitlis and co-workers 34 years ago starting with [RhCp*Cl2]2 (Cp* = [{eta}5-C5(CH3)5]), has proven to be one of the most challenging case studies in the quest to distinguish single-metal-based 'homogeneous' from polymetallic, 'heterogeneous' catalysis. The reason, this study will show, is the previous failure to use the proper combination of (i) operando spectroscopy to determine the dominant form(s) of the precatalyst's mass under catalysis (i.e., operating) conditions, plus then and crucially also (ii) the previous lack of the necessary kinetic studies, catalysis being a 'wholly kinetic phenomenon' as J. Halpern long ago noted. An important contribution from this study will be to reveal the power of quantitiative kinetic poisoning experiments for distinguishing single-metal, or in this case subnanometer Rh4 cluster-based catalysis from larger, polymetallic Rh(0)n nanoparticle catalysis, at least under favorable conditions. The combined operando-XAFS (X-ray absorption fine structure) spectroscopy and kinetic evidences provide a compelling case for Rh4-based, with average stoichiometry 'Rh4Cp*2.4Cl4Hc', benzene hydrogenation catalysis in 2-propanol with added Et3N and at 100 C and 50 atm initial H2 pressure. The results also reveal, however, that if even ca. 1.4% of the total soluble Rh(0)n had formed nanoparticles, then those Rh(0)n nanoparticles would have been able to account for all the observed benzene hydrogenation catalytic rate (using commercial, ca. 2 nm, polyethyleneglycol-dodecylether hydrosol stabilized Rh(0)n nanoparticles as a model system). The results 'especially the poisoning methodology developed and employed' are of significant, broader interest since determining the nature of the true catalyst continues to be a central, often vexing issue in any and all catalytic reactions. The results are also of fundamental

  12. Direct ab initio dynamics studies on the hydrogen-abstraction reactions of OH radicals with HOX (X = F, Cl, and Br).

    PubMed

    Wang, Li; Liu, Jing-Yao; Li, Ze-Sheng; Sun, Chia-Chung

    2004-03-01

    The hydrogen abstract reactions of OH radicals with HOF (R1), HOCl (R2), and HOBr (R3) have been studied systematically by a dual-level direct-dynamics method. The geometries and frequencies of all the stationary points are optimized at the MP2/6-311+G(2d, 2p) level of theory. A hydrogen-bonded complex is located at the product channel for the OH + HOBr reaction. To improve the energetics information along the minimum energy path (MEP), single-point energy calculations are carried out at the CCSD(T)/6-311++G(3df, 3pd) level of theory. Interpolated single-point energy (ISPE) method is employed to correct the energy profiles for the three reactions. It is found that neither the barrier heights (DeltaE) nor the H-O bond dissociation energies [D(H-O)] exhibit any clear-cut linear correlations with the halogen electronegative. The decrease of DeltaE and D(H-O) for the three reactions are in order of HOF > HOBr > HOCl. Rate constants for each reaction are calculated by canonical variational transition-state theory (CVT) with a small-curvature tunneling correction (SCT) within 200-2000 K. The agreement of the rate constants with available experimental values for reactions R2 and R3 at 298 K is good. Our results show that the variational effect is small while the tunneling correction has an important contribution in the calculation of rate constants in the low-temperature range. Due to the lack of the kinetic data of these reactions, the present theoretical results are expected to be useful and reasonable to estimate the dynamical properties of these reactions over a wide temperature range where no experimental value is available. PMID:14735573

  13. C-X···π halogen and C-H···π hydrogen bonding: interactions of CF3X (X = Cl, Br, I or H) with ethene and propene.

    PubMed

    Hauchecorne, Dieter; Nagels, Nick; van der Veken, Benjamin J; Herrebout, Wouter A

    2012-01-14

    Using FTIR and Raman spectroscopy, the formation of halogen bonded complexes of the trifluorohalomethanes CF(3)Cl, CF(3)Br and CF(3)I with ethene and propene dissolved in liquid argon has been investigated. For CF(3)Br and CF(3)I, evidence was found for the formation of C-X···π halogen bonded 1:1 complexes. At a higher ratio of CF(3)I/propene, weak absorptions due to a 2:1 complex were also observed. Using spectra recorded at different temperatures, the complexation enthalpies for the complexes were determined to be -5.3(2) kJ mol(-1) for CF(3)Br·ethene, -7.5(2) kJ mol(-1) for CF(3)I·ethene, -5.6(1) kJ mol(-1) for CF(3)Br·propene, -8.8(1) kJ mol(-1) for CF(3)I·propene and -16.5(6) kJ mol(-1) for (CF(3)I·)(2)propene. The complexation enthalpies of the hydrogen bonded counterparts, with CF(3)H as the Lewis acid, were determined to be -4.6(4) kJ mol(-1) for CF(3)H·ethene and -5.1(2) kJ mol(-1) for CF(3)H·propene. For both hydrogen bonded complexes, a blue shift, by +4.8 and +4.0 cm(-1), respectively, was observed for the C-H stretching mode. The results from the cryospectroscopic study are compared with ab initio calculations at the MP2/aug-cc-pVDZ(-PP) level. PMID:22089664

  14. Kinetic and product distribution analysis of the reaction of atomic hydrogen with vinyl chloride

    SciTech Connect

    Barat, R.B.; Bozzelli, J.W.

    1992-03-19

    An elementary reaction mechanism has been developed to model the experimentally observed loss of vinyl chloride by reaction with atomic hydrogen, as well as the observed products. At the low-pressure, room temperature experimental conditions the consumption of C{sub 2}H{sub 3}Cl by reaction with H occurs primarily by nonipso attack by H on the =CH{sub 2} group to form (CH{sub 3}C{center_dot}HCl){sup {double_dagger}}. This energized complex then undergoes an H shift to form (C{center_dot}H{sub 2}CH{sub 2}Cl){sup {double_dagger}}, which decomposes to form Cl + CH{sub 2}=CH{sub 2}. Collisional stabilization of the original adduct is also important. Abstraction of Cl by H is negligible in these conditions. The authors` mechanism is based on quantum Rice-Ramsperger-Kassel (QRRK) analysis of the reactions of the energized adducts from the separately considered ipso and nonipso additions. The authors also utilized transition-state theory for the isomerization reaction, evaluated with literature rate constants and barriers. The authors extend the QRRK calculations to higher pressures and temperatures for use by the modeling community. A mechanistic pathway is presented to explain the formation of the various reaction products observed. 26 refs., 13 figs., 7 tabs.

  15. Quantum dot device tunable from single to triple dot system

    SciTech Connect

    Rogge, M. C.; Haug, R. J.; Pierz, K.

    2013-12-04

    We present a lateral quantum dot device which has a tunable number of quantum dots. Depending on easily tunable gate voltages, one, two or three quantum dots are found. They are investigated in transport and charge detection.

  16. Polyol-mediated C-dot formation showing efficient Tb3+/Eu3+ emission.

    PubMed

    Dong, Hailong; Kuzmanoski, Ana; Gössl, Dorothee M; Popescu, Radian; Gerthsen, Dagmar; Feldmann, Claus

    2014-07-18

    C-dots (3-5 nm in diameter) obtained by most simple heating of polyols (glycerol, diethylene glycol and PEG 400) show intense blue and green emission (50% quantum yield). Upon modification with TbCl3/EuCl3, energy transfer from the C-dots to the rare-earth metal results in line-type Tb(3+) (green)/Eu(3+) (red) emission with quantum yields up to 85%. PMID:24887063

  17. Decimetric radio dot emissions

    NASA Astrophysics Data System (ADS)

    Mészárosová, H.; Karlický, M.; Sawant, H. S.; Fernandes, F. C. R.; Cecatto, J. R.; de Andrade, M. C.

    2008-11-01

    Context: We study a rare type of solar radio bursts called decimetric dot emissions. Aims: In the period 1999-2001, 20 events of decimetric dot emissions observed by the Brazilian Solar Spectroscope (BSS) in the frequency range 950-2640 MHz are investigated statistically and compared with radio fine structures of zebras and fibers. Methods: For the study of the spectral characteristics of the dot emissions we use specially developed Interactive Data Language (IDL) software called BSSView and basic statistical methods. Results: We have found that the dm dot emissions, contrary to the fine structures of the type IV bursts (i.e. zebras, fibers, lace bursts, spikes), are not superimposed on any background burst emission. In the radio spectrum, in most cases the dot emissions form chains that appear to be arranged in zebra patterns or fibers. Because some zebras and fibers, especially those observed with high time and high spectral resolutions, also show emission dots (but superimposed on the background burst emission), we compared the spectral parameters of the dot emissions with the dots being the fine structure of zebras and fibers. For both these dots, similar spectral characteristics were found. Some similarities of the dot emissions can be found also with the lace bursts and spikes. For some events the dot emissions show structural evolution from patterns resembling fibers to patterns resembling zebras and vice versa, or they evolve into fully chaotic patterns. Conclusions: For the first time, we present decimetric dot emissions that appear to be arranged in zebra patterns or fibers. We propose that these emissions are generated by the plasma emission mechanism at the locations in the solar atmosphere where the double resonance condition is fulfilled.

  18. Quantum Dots: Theory

    SciTech Connect

    Vukmirovic, Nenad; Wang, Lin-Wang

    2009-11-10

    This review covers the description of the methodologies typically used for the calculation of the electronic structure of self-assembled and colloidal quantum dots. These are illustrated by the results of their application to a selected set of physical effects in quantum dots.

  19. 75 FR 34657 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2B19 (Regional Jet Series 100 & 440...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-18

    ... rule'' under the DOT Regulatory Policies and Procedures (44 FR 11034, February 26, 1979); and 3. Will.... Model CL-600-2B19 (Regional Jet Series 100 & 440) Airplanes; Model CL-600-2C10 (Regional Jet Series 700, 701, & 702) Airplanes; Model CL-600-2D15 (Regional Jet Series 705) Airplanes; and Model...

  20. 75 FR 69030 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2C10 (Regional Jet Series 700, 701, & 702...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-10

    ... rule'' under the DOT Regulatory Policies and Procedures (44 FR 11034, February 26, 1979); and 3. Will.... Model CL-600-2C10 (Regional Jet Series 700, 701, & 702) Airplanes, Model CL-600-2D15 (Regional Jet Series 705) Airplanes, and Model CL-600-2D24 (Regional Jet Series 900) Airplanes AGENCY: Federal...

  1. 75 FR 43882 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2C10 (Regional Jet Series 700, 701, & 702...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-07-27

    ... 12866; 2. Is not a ``significant rule'' under the DOT Regulatory Policies and Procedures (44 FR 11034..., Inc. Model CL-600-2C10 (Regional Jet Series 700, 701, & 702), CL-600-2D15 (Regional Jet Series 705), and CL-600-2D24 (Regional Jet Series 900) Airplanes AGENCY: Federal Aviation Administration (FAA),...

  2. Quantum Dot Solar Cells

    NASA Astrophysics Data System (ADS)

    Raffaelle, Ryne P.; Castro, Stephanie L.; Hepp, Aloysius; Bailey, Sheila G.

    2002-10-01

    We have been investigating the synthesis of quantum dots of CdSe, CuInS2, and CuInSe2 for use in an intermediate bandgap solar cell. We have prepared a variety of quantum dots using the typical organometallic synthesis routes pioneered by Bawendi, et. al., in the early 1990's. However, unlike previous work in this area we have also utilized single-source precursor molecules in the synthesis process. We will present XRD, TEM, SEM and EDS characterization of our initial attempts at fabricating these quantum dots. Investigation of the size distributions of these nanoparticles via laser light scattering and scanning electron microscopy will be presented. Theoretical estimates on appropriate quantum dot composition, size, and inter-dot spacing along with potential scenarios for solar cell fabrication will be discussed.

  3. Quantum Dot Solar Cells

    NASA Technical Reports Server (NTRS)

    Raffaelle, Ryne P.; Castro, Stephanie L.; Hepp, Aloysius; Bailey, Sheila G.

    2002-01-01

    We have been investigating the synthesis of quantum dots of CdSe, CuInS2, and CuInSe2 for use in an intermediate bandgap solar cell. We have prepared a variety of quantum dots using the typical organometallic synthesis routes pioneered by Bawendi, et. al., in the early 1990's. However, unlike previous work in this area we have also utilized single-source precursor molecules in the synthesis process. We will present XRD, TEM, SEM and EDS characterization of our initial attempts at fabricating these quantum dots. Investigation of the size distributions of these nanoparticles via laser light scattering and scanning electron microscopy will be presented. Theoretical estimates on appropriate quantum dot composition, size, and inter-dot spacing along with potential scenarios for solar cell fabrication will be discussed.

  4. A computational mechanistic investigation of hydrogen production in water using the [Rh(III)(dmbpy)2Cl2](+)/[Ru(II)(bpy)3](2+)/ascorbic acid photocatalytic system.

    PubMed

    Kayanuma, Megumi; Stoll, Thibaut; Daniel, Chantal; Odobel, Fabrice; Fortage, Jérôme; Deronzier, Alain; Collomb, Marie-Noëlle

    2015-04-28

    We recently reported an efficient molecular homogeneous photocatalytic system for hydrogen (H2) production in water combining [Rh(III)(dmbpy)2Cl2](+) (dmbpy = 4,4'-dimethyl-2,2'-bipyridine) as a H2 evolving catalyst, [Ru(II)(bpy)3](2+) (bpy = 2,2'-bipyridine) as a photosensitizer and ascorbic acid as a sacrificial electron donor (Chem. - Eur. J., 2013, 19, 781). Herein, the possible rhodium intermediates and mechanistic pathways for H2 production with this system were investigated at DFT/B3LYP level of theory and the most probable reaction pathways were proposed. The calculations confirmed that the initial step of the mechanism is a reductive quenching of the excited state of the Ru photosensitizer by ascorbate, affording the reduced [Ru(II)(bpy)2(bpy˙(-))](+) form, which is capable, in turn, of reducing the Rh(III) catalyst to the distorted square planar [Rh(I)(dmbpy)2](+) species. This two-electron reduction by [Ru(II)(bpy)2(bpy˙(-))](+) is sequential and occurs according to an ECEC mechanism which involves the release of one chloride after each one-electron reduction step of the Rh catalyst. The mechanism of disproportionation of the intermediate Rh(II) species, much less thermodynamically favoured, cannot be barely ruled out since it could also be favoured from a kinetic point of view. The Rh(I) catalyst reacts with H3O(+) to generate the hexa-coordinated hydride [Rh(III)(H)(dmbpy)2(X)](n+) (X = Cl(-) or H2O), as the key intermediate for H2 release. The DFT study also revealed that the real source of protons for the hydride formation as well as the subsequent step of H2 evolution is H3O(+) rather than ascorbic acid, even if the latter does govern the pH of the aqueous solution. Besides, the calculations have shown that H2 is preferentially released through an heterolytic mechanism by reaction of the Rh(III)(H) hydride and H3O(+); the homolytic pathway, involving the reaction of two Rh(III)(H) hydrides, being clearly less favoured. In parallel to this

  5. 29 CFR 1910.103 - Hydrogen.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...—Regulations of the Department of Transportation published in 49 CFR Chapter I. (vi) DOT regulations—See § 1910... 29 Labor 5 2013-07-01 2013-07-01 false Hydrogen. 1910.103 Section 1910.103 Labor Regulations... OCCUPATIONAL SAFETY AND HEALTH STANDARDS Hazardous Materials § 1910.103 Hydrogen. (a) General—(1)...

  6. The matrix-isolated molecular complexes CO/XF (X=Cl,Br,I) and the molecular structure of FC(O)Br

    SciTech Connect

    Garcia, Placido; Willner, Helge; Oberhammer, Heinz; Francisco, Joseph S.

    2004-12-15

    FC(O)Br has been synthesized, and its IR spectrum in the gas phase and isolated in an Ar matrix, as well as, its Raman spectrum in the solid state at -196 deg. C has been analyzed. Its molecular structure has been determined and its UV has been measured. FC(O)Br and FC(O)Cl has been photodissociated in an argon matrix at 17 K with a 193 nm laser. The photolysis produces CO and XF which recombine to form CO/XF complexes. The formation of complexes are followed by the shift of the normal vibration modes with respect to CO and XF isolated in argon matrix. In the case of FC(O)Br, three isomers are identified, OC{center_dot}{center_dot}{center_dot}BrF, OC{center_dot}{center_dot}{center_dot}FBr, and CO{center_dot}{center_dot}{center_dot}BrF, whereas for FC(O)Cl only one isomer is observed, OC{center_dot}{center_dot}{center_dot}ClF. High level quantum chemical calculations are used to help the assignment of the different isomers.

  7. Highly sensitive humidity sensing properties of carbon quantum dots films

    SciTech Connect

    Zhang, Xing; Ming, Hai; Liu, Ruihua; Han, Xiao; Kang, Zhenhui; Liu, Yang; Zhang, Yonglai

    2013-02-15

    Graphical abstract: Display Omitted Highlights: ► A humidity sensing device was fabricated based on carbon quantum dots (CQDs) films. ► The conductivity of the CQDs films shows a linear and rapid response to atmosphere humidity. ► The humidity sensing property was due to the hydrogen bonds between the functional groups on CQDs. -- Abstract: We reported the fabrication of a humidity sensing device based on carbon quantum dots (CQDs) film. The conductivity of the CQDs film has a linear and rapid response to relative humidity, providing the opportunity for the fabrication of humidity sensing devices. The mechanism of our humidity sensor was proposed to be the formation of hydrogen bonds between carbon quantum dots and water molecules in the humidity environment, which significantly promote the electrons migration. In a control experiment, this hypothesis was confirmed by comparing the humidity sensitivity of candle soot (i.e. carbon nanoparticles) with and without oxygen containing groups on the surfaces.

  8. [2,5-Bis(2,2'-bipyridyl-6-yl)-3,4-diazahexa-2,4-diene]dichloridomanganese(II): from a mononuclear compound to a three-dimensional supramolecular framework through C-H···Cl hydrogen bonds and π-π stacking interactions.

    PubMed

    Lu, Zhengliang; Zhao, Yuanchao; Chen, Baolian; Huang, Ximing; Fan, Chunhua

    2014-07-01

    The title compound, [MnCl2(C24H20N6)], has been synthesized and characterized based on the multifunctional ligand 2,5-bis(2,2'-bipyridyl-6-yl)-3,4-diazahexa-2,4-diene (L). The Mn(II) centre is five-coordinate with an approximately square-pyramidal geometry. The L ligand acts as a tridendate chelating ligand. The mononuclear molecules are bridged into a one-dimensional chain by two C-H···Cl hydrogen bonds. These chains are assembled into a two-dimensional layer through π-π stacking interactions between adjacent uncoordinated bipyridyl groups. Furthermore, a three-dimensional supramolecular framework is attained through π-π stacking interactions between adjacent coordinated bipyridyl groups. PMID:24992119

  9. Dots and Cubes

    ERIC Educational Resources Information Center

    Eaton, Bryan L.

    1974-01-01

    Illustrated is the mathematical analysis of a three-dimensional game using techniques from the calculus of finite differences. This game is an analog of the familiar two-dimensional game, Dots and Squares. (JP)

  10. Density functional calculation of the structural and electronic properties of germanium quantum dots

    SciTech Connect

    Anas, M. M.; Gopir, G.

    2015-04-24

    We apply first principles density functional computational methods to study the structures, densities of states (DOS), and higher occupied molecular orbital (HOMO) – lowest unoccupied molecular orbital (LUMO) gaps of selected free-standing Ge semiconductor quantum dots up to 1.8nm. Our calculations are performed using numerical atomic orbital approach where linear combination of atomic orbital was applied. The surfaces of the quantum dots was passivized by hydrogen atoms. We find that surface passivation does affect the electronic properties associated with the changes of surface state, electron localization, and the energy gaps of germanium nanocrystals as well as the confinement of electrons inside the quantum dots (QDs). Our study shows that the energy gaps of germanium quantum dots decreases with the increasing dot diameter. The size-dependent variations of the computed HOMO-LUMO gaps in our quantum dots model were found to be consistent with the effects of quantum confinement reported in others theoretical and experimental calculation.

  11. Theoretical study of binding interactions and vibrational Raman spectra of water in hydrogen-bonded anionic complexes: (H2O)n- (n = 2 and 3), H2O...X- (X = F, Cl, Br, and I), and H2O...M- (M = Cu, Ag, and Au).

    PubMed

    Wu, De-Yin; Duan, Sai; Liu, Xiu-Min; Xu, Yong-Chun; Jiang, Yu-Xiong; Ren, Bin; Xu, Xin; Lin, S H; Tian, Zhong-Qun

    2008-02-14

    Binding interactions and Raman spectra of water in hydrogen-bonded anionic complexes have been studied by using the hybrid density functional theory method (B3LYP) and ab initio (MP2) method. In order to explore the influence of hydrogen bond interactions and the anionic effect on the Raman intensities of water, model complexes, such as the negatively charged water clusters ((H2O)n-, n = 2 and 3), the water...halide anions (H2O...X-, X = F, Cl, Br, and I), and the water-metal atom anionic complexes (H2O...M-, M = Cu, Ag, and Au), have been employed in the present calculations. These model complexes contained different types of hydrogen bonds, such as O-H...X-, O-H...M-, O-H...O, and O-H...e-. In particular, the last one is a dipole-bound electron involved in the anionic water clusters. Our results showed that there exists a large enhancement in the off-resonance Raman intensities of both the H-O-H bending mode and the hydrogen-bonded O-H stretching mode, and the enhancement factor is more significant for the former than for the latter. The reasons for these spectral properties can be attributed to the strong polarization effect of the proton acceptors (X-, M-, O, and e-) in these hydrogen-bonded complexes. We proposed that the strong Raman signal of the H-O-H bending mode may be used as a fingerprint to address the local microstructures of water molecules in the chemical and biological systems. PMID:18215023

  12. Trans/cis isomerization of [RuCl2{H2Cdbnd C(CH2PPh2)2)}(diamine)] complexes: Synthesis, spectral, crystal structure and DFT calculations and catalytic activity in the hydrogenation of α,β-unsaturated ketones

    NASA Astrophysics Data System (ADS)

    Warad, Ismail; Al-Noaimi, Mousa; Abdel-Rahman, Obadah S.; Awwadi, Firas F.; Hammouti, Belkheir; Hadda, Taibi B.

    2014-01-01

    Three complexes of the general formula trans/cis-[Ru(II)(dppme)(Nsbnd N)Cl2] {dppme is H2Cdbnd C(CH2PPh2)2 and Nsbnd N is 1,2-diaminocyclohexane (trans/cis-(1)) and 1-methyl-1,2-diaminopropane (trans-(2)} were obtained by reacting trans-[RuCl2(dppme)2] with an excess amount of corresponding diamine in CH2Cl2 as a solvent. The complexes were characterized by an elemental analysis, IR, 1H, 13C and 31P{1H} NMR, FAB-MS and UV-visible. The trans-(1) (kinetic product) readily isomerizes to the cis-(1) (thermodynamic product) and this process was followed by using 31P{1H} NMR, cyclic voltammetry and UV-vis spectroscopy. The electrochemical studies on complex (1) reveal that the Ru(III)/Ru(II) couples are sensitive to the isomer (trans/cis) formed. The cis-(1) was confirmed by X-ray structure and 31P{1H} NMR. Transfer-hydrogenation reactions for reduction of trans-4-phenyl-3-butene-2-one were conducted using complexes trans/cis-(1) and trans-(2). The electronic spectra of cis/trans-(1) in dichloromethane were calculated with the use of time-dependent DFT methods.

  13. Photoelectrochemical Water Splitting of Nitrogen and Hydrogen Treated P25 TiO2 Films

    NASA Astrophysics Data System (ADS)

    Zavodivker, Liat S.

    Photoelectrochemical data is reported for P25 TiO2 films deposited as a pristine film on FTO. The pristine P25 films show a photocurrent of 0.06 mA/cm2 and an onset potential of -0.5 V vs. Ag/AgCl. After TiCl4 Treatment to form a compact TiO 2 layer on the bottom and the surface layer, the TiCl4 sandwich films have a photocurrent of 0.19 mA/cm2 and an onset potential of -0.8 V. We have also investigated the effects of hydrogen treatment, ammonia treatment, and the combination of hydrogen treatment followed by ammonia treatment (co-treatment) on the photocurrent, the incident photon-to-current efficiency (IPCE), and the electron donor density of the P25 TiCl4 sandwich films. Treating the P25 films had almost no effect on the size and d-spacing of the particles, but EPR evidence, as well as color change, indicated the formation of N 2p nitrogen sites and oxygen vacancies (VO) for each film treatment. I-V data for the treated TiCl4 sandwich films show an increase in photocurrent from 0.19 mA/cm2 for the pristine P25 TiO2 film to 0.4 mA/cm 2 for the co-treated TiO2 film compared to 0.23 mA/cm 2 for hydrogen treatment and 0.25 mA/cm2 for ammonia treatment. For the P25 treated films, there is negligible increase of UV absorption in the visible for the singly treated films as well as the co-treated films. However, the improved photocurrent for the ammonia treated, hydrogen treated, and co-treated films may be explained by increased donor density. Mott-Schottky plots are used to characterize donor density, showing that the co-treated P25 TiCl4 sandwich films have an increased donor density over the nitrogen-treated P25 TiO2 and pristine P25 TiO2 films. The improved donor density of the treated P25 films over the untreated films may prove to be useful when completing future dye or semiconducting quantum dot sensitization experiments.

  14. DOT Transmit Module

    NASA Technical Reports Server (NTRS)

    Quirk, Kevin J.; Gin, Jonathan W.; Sahasrabudhe, Adit; Patawaran, Ferze D.; Nguyen, Danh H.; Nguyen, Huy

    2013-01-01

    The Deep Space Optical Terminal (DOT) transmit module demonstrates the DOT downlink signaling in a flight electronics assembly that can be qualified for deep space. The assembly has the capability to generate an electronic pulse-position modulation (PPM) waveform suitable for driving a laser assembly to produce the optical downlink signal. The downlink data enters the assembly through a serializer/ deserializer (SERDES) interface, and is encoded using a serially concatenated PPM (SCPPM) forward error correction code. The encoded data is modulated using PPM with an inter-symbol guard time to aid in receiver synchronization. Monitor and control of the assembly is via a low-voltage differential signal (LVDS) interface

  15. All-Inorganic Colloidal Perovskite Quantum Dots: A New Class of Lasing Materials with Favorable Characteristics.

    PubMed

    Wang, Yue; Li, Xiaoming; Song, Jizhong; Xiao, Lian; Zeng, Haibo; Sun, Handong

    2015-11-25

    All-inorganic colloidal cesium lead halide perovskite quantum dots (CsPbX3 , X = Cl, Br, I) are revealed to be a new class of favorable optical-gain materials, which show -combined merits of both colloidal quantum dots and halide perovskites. Low-threshold and -ultrastable stimulated emission is -demonstrated under atmospheric conditions with wavelength tunability across the whole -visible spectrum via either size or composition control. PMID:26448638

  16. Hydrogen production

    NASA Technical Reports Server (NTRS)

    England, C.; Chirivella, J. E.; Fujita, T.; Jeffe, R. E.; Lawson, D.; Manvi, R.

    1975-01-01

    The state of hydrogen production technology is evaluated. Specific areas discussed include: hydrogen production fossil fuels; coal gasification processes; electrolysis of water; thermochemical production of hydrogen; production of hydrogen by solar energy; and biological production of hydrogen. Supply options are considered along with costs of hydrogen production.

  17. High-resolution aluminum-27 solid-state magic-angle sample-spinning nuclear magnetic resonance spectroscopic study of AlCl sub 3 -tetrahydrofuran complexes

    SciTech Connect

    Han, Oc Hee; Oldfield, E. )

    1990-09-19

    The authors have obtained {sup 27}Al solid-state nuclear magnetic resonance (NMR) spectra of several AlCl{sub 3}-THF complexes, using magic-angle sample-spinning (MASS) NMR at high field. The authors results suggest that the isotropic chemical shifts ({delta}{sub i}) occur in relatively well defined regions for 4-, 5-, and 6-coordinate species (AlCl{sub 4}{sup {minus}}, {approximately} 103 ppm; AlCl{sub 3}{center dot}THF, {approximately} 99 ppm; trans-AlCl{sub 3}{center dot}2THF, {approximately} 60 ppM; trans-(AlCl{sub 2}(THF){sub 4}){sup +}, {approximately} 14 ppM), as found previously with aluminum oxo compounds. They also find that theoretically calculated average nuclear quadrupole coupling constants (e{sup 2}qQ/h) (trans-(AlCl{sub 2}(THF){sub 4}){sup +}, {approximately} 6.3 MHz; trans-AlCl{sub 3}{center dot}2THF, {approximately} 4.6 MHz; AlCl{sub 3}{center dot}THF, {approximately} 3.0 MHz; AlCl{sub 4}{sup {minus}}, 0 MHz) are in good accord with experimentally determined nuclear quadrupole coupling constants, determined from computer simulations of the MASS NMR spectra (trans-(AlCl{sub 2}(THF){sub 4}){sup +}, 6.4 MHz; trans-AlCl{sub 3}{center dot}2THF, 4.9 MHz; AlCl{sub 3}{center dot}THF, 4.7 MHz; AlCl{sub 4}{sup {minus}}, 0.3 MHz). Both {sup 27}Al {delta}{sub i} and e{sup 2}qQ/h determinations appear to be useful as probes of structure in these systems, and thus offer a facile means of monitoring various solid-state reactions. 14 refs., 3 figs., 3 tabs.

  18. Redetermination of [EuCl2(H2O)6]Cl

    PubMed Central

    Tambornino, Frank; Bielec, Philipp; Hoch, Constantin

    2014-01-01

    The crystal structure of the title compound, hexa­aqua­dichlorido­europium(III) chloride, was redetermined with modern crystallographic methods. In comparison with the previous study [Lepert et al. (1983 ▶). Aust. J. Chem. 36, 477–482], it could be shown that the atomic coordinates of some O atoms had been confused and now were corrected. Moreover, it was possible to freely refine the positions of the H atoms and thus to improve the accurracy of the crystal structure. [EuCl2(H2O)6]Cl crystallizes with the GdCl3·6H2O structure-type, exhibiting discrete [EuCl2(H2O)6]+ cations as the main building blocks. The main blocks are linked with isolated chloride anions via O—H⋯Cl hydrogen bonds into a three-dimensional framework. The Eu3+ cation is located on a twofold rotation axis and is coordinated in the form of a Cl2O6 square anti­prism. One chloride anion coordinates directly to Eu3+, whereas the other chloride anion, situated on a twofold rotation axis, is hydrogen bonded to six octa­hedrally arranged water mol­ecules. PMID:24940187

  19. Colloidal Double Quantum Dots

    PubMed Central

    2016-01-01

    Conspectus Pairs of coupled quantum dots with controlled coupling between the two potential wells serve as an extremely rich system, exhibiting a plethora of optical phenomena that do not exist in each of the isolated constituent dots. Over the past decade, coupled quantum systems have been under extensive study in the context of epitaxially grown quantum dots (QDs), but only a handful of examples have been reported with colloidal QDs. This is mostly due to the difficulties in controllably growing nanoparticles that encapsulate within them two dots separated by an energetic barrier via colloidal synthesis methods. Recent advances in colloidal synthesis methods have enabled the first clear demonstrations of colloidal double quantum dots and allowed for the first exploratory studies into their optical properties. Nevertheless, colloidal double QDs can offer an extended level of structural manipulation that allows not only for a broader range of materials to be used as compared with epitaxially grown counterparts but also for more complex control over the coupling mechanisms and coupling strength between two spatially separated quantum dots. The photophysics of these nanostructures is governed by the balance between two coupling mechanisms. The first is via dipole–dipole interactions between the two constituent components, leading to energy transfer between them. The second is associated with overlap of excited carrier wave functions, leading to charge transfer and multicarrier interactions between the two components. The magnitude of the coupling between the two subcomponents is determined by the detailed potential landscape within the nanocrystals (NCs). One of the hallmarks of double QDs is the observation of dual-color emission from a single nanoparticle, which allows for detailed spectroscopy of their properties down to the single particle level. Furthermore, rational design of the two coupled subsystems enables one to tune the emission statistics from single

  20. Colloidal Double Quantum Dots.

    PubMed

    Teitelboim, Ayelet; Meir, Noga; Kazes, Miri; Oron, Dan

    2016-05-17

    Pairs of coupled quantum dots with controlled coupling between the two potential wells serve as an extremely rich system, exhibiting a plethora of optical phenomena that do not exist in each of the isolated constituent dots. Over the past decade, coupled quantum systems have been under extensive study in the context of epitaxially grown quantum dots (QDs), but only a handful of examples have been reported with colloidal QDs. This is mostly due to the difficulties in controllably growing nanoparticles that encapsulate within them two dots separated by an energetic barrier via colloidal synthesis methods. Recent advances in colloidal synthesis methods have enabled the first clear demonstrations of colloidal double quantum dots and allowed for the first exploratory studies into their optical properties. Nevertheless, colloidal double QDs can offer an extended level of structural manipulation that allows not only for a broader range of materials to be used as compared with epitaxially grown counterparts but also for more complex control over the coupling mechanisms and coupling strength between two spatially separated quantum dots. The photophysics of these nanostructures is governed by the balance between two coupling mechanisms. The first is via dipole-dipole interactions between the two constituent components, leading to energy transfer between them. The second is associated with overlap of excited carrier wave functions, leading to charge transfer and multicarrier interactions between the two components. The magnitude of the coupling between the two subcomponents is determined by the detailed potential landscape within the nanocrystals (NCs). One of the hallmarks of double QDs is the observation of dual-color emission from a single nanoparticle, which allows for detailed spectroscopy of their properties down to the single particle level. Furthermore, rational design of the two coupled subsystems enables one to tune the emission statistics from single photon

  1. PREFACE: Quantum Dot 2010

    NASA Astrophysics Data System (ADS)

    Taylor, Robert A.

    2010-09-01

    These conference proceedings contain the written papers of the contributions presented at Quantum Dot 2010 (QD2010). The conference was held in Nottingham, UK, on 26-30 April 2010. The conference addressed topics in research on: 1. Epitaxial quantum dots (including self-assembled and interface structures, dots defined by electrostatic gates etc): optical properties and electron transport quantum coherence effects spin phenomena optics of dots in cavities interaction with surface plasmons in metal/semiconductor structures opto-electronics applications 2. Novel QD structures: fabrication and physics of graphene dots, dots in nano-wires etc 3. Colloidal quantum dots: growth (shape control and hybrid nanocrystals such as metal/semiconductor, magnetic/semiconductor) assembly and surface functionalisation optical properties and spin dynamics electrical and magnetic properties applications (light emitting devices and solar cells, biological and medical applications, data storage, assemblers) The Editors Acknowledgements Conference Organising Committee: Maurice Skolnick (Chair) Alexander Tartakovskii (Programme Chair) Pavlos Lagoudakis (Programme Chair) Max Migliorato (Conference Secretary) Paola Borri (Publicity) Robert Taylor (Proceedings) Manus Hayne (Treasurer) Ray Murray (Sponsorship) Mohamed Henini (Local Organiser) International Advisory Committee: Yasuhiko Arakawa (Tokyo University, Japan) Manfred Bayer (Dortmund University, Germany) Sergey Gaponenko (Stepanov Institute of Physics, Minsk, Belarus) Pawel Hawrylak (NRC, Ottawa, Canada) Fritz Henneberger (Institute for Physics, Berlin, Germany) Atac Imamoglu (ETH, Zurich, Switzerland) Paul Koenraad (TU Eindhoven, Nethehrlands) Guglielmo Lanzani (Politecnico di Milano, Italy) Jungil Lee (Korea Institute of Science and Technology, Korea) Henri Mariette (CNRS-CEA, Grenoble, France) Lu Jeu Sham (San Diego, USA) Andrew Shields (Toshiba Research Europe, Cambridge, UK) Yoshihisa Yamamoto (Stanford University, USA) Artur

  2. Some aspects of the stratospheric Cl-ClO-Cl cycle - Possible roles of ClO, ClNO3 and HOCl

    NASA Technical Reports Server (NTRS)

    Prasad, S. S.

    1976-01-01

    The possible inhibitory effect of excited ClO produced during chlorine-sensitized ozone decomposition on the stratospheric Cl-ClO-Cl cycle is investigated. Collisional deactivation of excited ClO is discussed, chemical reactions involving excited ClO are examined, and the possible roles of HO2 and NO2 in weakening the Cl-ClO-Cl cycle are evaluated. It is noted that the formation of HOCl through a reaction between ClO and HO2 implies that the Cl-ClO-Cl cycle has not been completed.

  3. The solubility of Th(IV) hydrous oxide in concentrated NaCl and MgCl[sub 2] solutions

    SciTech Connect

    Sterner, S.M.; Felmy, A.R. ); Novak, C.F. )

    1995-09-01

    The solubility of Th(IV) hydrous oxide was studied in concentrated 4m and 6m NaCl solutions as well as in MgCl[sub 2] solutions ranging in concentration from 1m to 3m over a broad range of hydrogen ion concentrations. The observed solubilities in all solutions showed the same trend as observed previously of higher solubilities at early equilibration times, usually 7 to 8 days, followed by decreases in solubility with time as the precipitates aged. The trend of decreasing solubility with time was more pronounced in NaCl solutions than in MgCl[sub 2] solutions. The observed ThO[sub 2](am) solubilities in concentrated NaCl solutions (i.e., 4m and 6m) were lower than previously reported solubilities in more dilute NaCl solutions (i.e., < 3M NaCl). The results in MgCl[sub 2] were similar in all solutions regardless of the MgCl[sub 2] concentration. Current thermodynamic models for the solubility of hydrous thorium, oxide in chloride solutions, which primarily describe only aqueous Th[sup 4+]-Cl[sup -] ion-interactions, predicted higher solubilities than observed in 4 and 6m NaCl as well as in all MgCl[sub 2] solutions. An improved aqueous thermodynamic model, which includes ion-interaction parameters for like charged species, is proposed to explain these results.

  4. Molecular dynamics simulations of carbon dioxide hydrate growth in electrolyte solutions of NaCl and MgCl2

    NASA Astrophysics Data System (ADS)

    Yi, Lizhi; Liang, Deqing; Zhou, Xuebing; Li, Dongliang; Wang, Jianwei

    2014-12-01

    Molecular dynamics simulations are performed to study the growth of carbon dioxide (CO2) hydrate in electrolyte solutions of NaCl and MgCl2. The kinetic behaviour of the hydrate growth is examined in terms of cage content, density profile, and mobility of ions and water molecules, and how these properties are influenced by added NaCl and MgCl2. Our simulation results show that both NaCl and MgCl2 inhibit the CO2 hydrate growth. With a same mole concentration or ion density, MgCl2 exhibits stronger inhibition on the growth of CO2 hydrate than NaCl does. The growth rate of the CO2 hydrate in NaCl and MgCl2 solutions decreases slightly with increasing pressure. During the simulations, the Na+, Mg2+, and Cl- ions are mostly excluded by the growing interface front. We find that these ions decrease the mobility of their surrounding water molecules, and thus reduce the opportunity for these water molecules to form cage-like clusters toward hydrate formation. We also note that during the growth processes, several 51263 cages appear at the hydrate/solution interface, although they are finally transformed to tetrakaidecahedral (51262) cages. Structural defects consisting of one water molecule trapped in a cage with its hydrogen atoms being attracted by two Cl- ions have also been observed.

  5. 75 FR 35613 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2C10 (Regional Jet Series 700 & 701...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-23

    ..., 2009 (74 FR 55493). That NPRM proposed to correct an unsafe condition for the specified products. The...'' under the DOT Regulatory Policies and Procedures (44 FR 11034, February 26, 1979); and 3. Will not have.... Model CL-600-2C10 (Regional Jet Series 700 & 701) Airplanes, Model CL-600-2D15 (Regional Jet Series...

  6. 75 FR 59073 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2B19 (Regional Jet Series 100 & 440...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-09-27

    ... to the specified products. That NPRM was published in the Federal Register on April 8, 2010 (75 FR... Order 12866; 2. Is not a ``significant rule'' under the DOT Regulatory Policies and Procedures (44 FR.... Model CL-600-2B19 (Regional Jet Series 100 & 440) Airplanes; Model CL-600-2C10 (Regional Jet Series...

  7. 76 FR 18957 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2C10 (Regional Jet Series 700, 701 & 702...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-06

    ... published in the Federal Register on May 18, 2010 (75 FR 27665). That earlier NPRM proposed to require... ``significant rule'' under the DOT Regulatory Policies and Procedures (44 FR 11034, February 26, 1979), (3) Will..., Inc. Model CL-600-2C10 (Regional Jet Series 700, 701 & 702), Model CL-600-2D15 (Regional Jet...

  8. 75 FR 60604 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2B19 (Regional Jet Series 100 & 440...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-01

    ... (75 FR 34657). That NPRM proposed to correct an unsafe condition for the specified products. The MCAI...'' under the DOT Regulatory Policies and Procedures (44 FR 11034, February 26, 1979); and 3. Will not have.... Model CL-600-2B19 (Regional Jet Series 100 & 440) Airplanes; Model CL-600-2C10 (Regional Jet Series...

  9. 75 FR 69609 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2B19 (Regional Jet Series 100 & 440...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-15

    ... 12866; 2. Is not a ``significant rule'' under the DOT Regulatory Policies and Procedures (44 FR 11034.... Model CL-600-2B19 (Regional Jet Series 100 & 440) Airplanes AGENCY: Federal Aviation Administration (FAA... Part 2, ``Airworthiness Limitations,'' of the Bombardier CL-600-2B19 Maintenance Requirements...

  10. Reactivity of anthracene in liquid SbCl/sub 3/-AlCl/sub 3/-N-(1-Butyl)Pyridinium chlrodie mixtures

    SciTech Connect

    Zingg, S.P.; Dworkin, A.S.; Soerlie, M.; Chapman, D.M.; Buchanan, A.C. III; Smith, G.P.

    1984-07-01

    Mixtures of SbCl/sub 3/ and N-(1-butyl)pyridinium chloride (BPCl) containing 75-87 mole % SbCl/sub 3/ and SbCl/sub 3/-AlCl/sub 3/-BPCl mixtures containing 60 mole % of SbCl/sub 3/ and 16-23 mole % of AlCl/sub 3/ were found to be liquid at 25/sup 0/C. Results of studies to determine to what extent SbCl/sub 3/ diluted by 25 mole % BPAlCl/sub 4/ at ambient temperature retains the catalytic properties that SbCl/sub 3/ displays at elevated temperatures for a variety of hydrogen redistribution reactions are reported. Anthracene was chosen as the hydrogen-transfer substrate, because of the extensive research on its reactivity in SbCl/sub 3/-rich high-melting mixtures. Fundamental differences in the two systems due to the fact that in the SbCl/sub 3/-rich melts, SbCl/sub 2//sup +/ is the Lewis acid and has an additional redox functionality, whereas, in the chloroaluminate melt, this acidity resides in Al/sub 2/Cl/sub 7//sup -/, which has no redox functionality are related to the catalytic activity. The role of impurities in these mixtures was investigated with results that are relevant to earlier investigations of liquid AlCl/sub 3/-BPCl mixtures. An improved procedure for purifying BPCl is described.

  11. Synthesis of highly fluorescent nitrogen and phosphorus doped carbon dots for the detection of Fe(3+) ions in cancer cells.

    PubMed

    Chandra, Soumen; Laha, Dipranjan; Pramanik, Arindam; Ray Chowdhuri, Angshuman; Karmakar, Parimal; Sahu, Sumanta Kumar

    2016-02-01

    Highly fluorescent nitrogen and phosphorus-doped carbon dots with a quantum yield 59% have been successfully synthesized from citric acid and di-ammonium hydrogen phosphate by single step hydrothermal method. The synthesized carbon dots have high solubility as well as stability in aqueous medium. The as-obtained carbon dots are well monodispersed with particle sizes 1.5-4 nm. Owing to a good tunable fluorescence property and biocompatibility, the carbon dots were applied for intercellular sensing of Fe(3+) ions as well as cancer cell imaging. PMID:25964146

  12. Multinuclear magnetic resonance studies of the 2Feter dot 2S sup * ferredoxin from Anabaena species strain PCC 7120. 1. Sequence-specific hydrogen-1 resonance assignments and secondary structure in solution of the oxidized form

    SciTech Connect

    Oh, Byung-Ha; Markley, J.L. )

    1990-04-24

    Complete sequence-specific assignments were determined for the diamagnetic {sup 1}H resonances from Anabaena 7120 ferredoxin. A novel assignment procedure was followed whose first step was the identification of the {sup 13}C spin systems of the amino acids by a {sup 13}C({sup 13}C) double quantum correlation experiment. Then, the {sup 1}H spin systems of the amino acids were identified from the {sup 13}C spin systems by means of direct and relayed {sup 1}H({sup 13}C) single-bond correlations. The sequential resonance assignments were based mainly on conventional interresidue {sup 1}H{sup {alpha}}{sub i}-{sup 1}H{sup N}{sub i+1} NOE connectivities. Resonances from 18 residues were not resolved in two-dimensional {sup 1}H NMR spectra. When these residues were mapped onto the X-ray crystal structure of the homologous ferredoxin from Spirulina platensis, it was found that they correspond to amino acids close to the paramagnetic 2Fe{center dot}2S cluster. Cross peaks in two-dimensional homonuclear {sup 1}H NMR spectra were not observed for any protons closer than about 7.8 {angstrom} to both iron atoms. Secondary structural features identified in solution include two antiparallel {beta}-sheets, one parallel {beta}-sheet, and one {alpha}-helix.

  13. GaN quantum dots as optical transducers for chemical sensors

    SciTech Connect

    Weidemann, O.; Jegert, G.; Stutzmann, M.; Kandaswamy, P. K.; Monroy, E.

    2009-03-16

    GaN/AlN quantum dots were investigated as optical transducers for field effect chemical sensors. The structures were synthesized by molecular-beam epitaxy and covered by a semitransparent catalytic Pt top contact. Due to the thin (3 nm) AlN barriers, the variation of the quantum dot photoluminescence with an external electric field along the [0001] axis is dominated by the tunneling current rather than by the quantum confined Stark effect. An increasing field results in a blueshift of the luminescence and a decreasing intensity. This effect is used to measure the optical response of quantum dot superlattices upon exposure to molecular hydrogen.

  14. Double-donor complex in vertically coupled quantum dots in a threading magnetic field.

    PubMed

    Manjarres-García, Ramón; Escorcia-Salas, Gene Elizabeth; Manjarres-Torres, Javier; Mikhailov, Ilia D; Sierra-Ortega, José

    2012-01-01

    We consider a model of hydrogen-like artificial molecule formed by two vertically coupled quantum dots in the shape of axially symmetrical thin layers with on-axis single donor impurity in each of them and with the magnetic field directed along the symmetry axis. We present numerical results for energies of some low-lying levels as functions of the magnetic field applied along the symmetry axis for different quantum dot heights, radii, and separations between them. The evolution of the Aharonov-Bohm oscillations of the energy levels with the increase of the separation between dots is analyzed. PMID:23013550

  15. Benzen and Ethylene Binding to Copper(I)-Ziconium(IV) Chloride Materials: The Crystal Structure and Solid-State Reactivity of ((bz)2Cu)2Zr2Cl10.bz

    SciTech Connect

    Dattelbaum,A.; Martin, J.

    2006-01-01

    The solvothermal reaction of Cu{sub 2}ZrCl{sub 6} and ZrCl{sub 4} in benzene is shown to yield the molecular species ((bz){sub 2}Cu){sub 2}Zr{sub 2}Cl{sub 10} {center_dot} bz(1), which is characterized by single crystal X-ray diffraction. The structure consists of edge-shared dimers of zirconium chloride octahedra whose axial chlorides are bridged by bis-benzene chlorocuprate fragments. The Cu{sub 2}Zr{sub 2} tetramers are linked in the crystal lattice by edge-to-face {pi}-stacking of the coordinated and lattice benzene molecules, as well as benzene-to-chloride hydrogen bonding. Benzene is lost from this material in a stepwise fashion resulting in what are described to be chain, ((bz)Cu){sub 2}Zr{sub 2}Cl{sub 10} (3). The desolvated materials, 2 and 3, reversibly sorb ethylene, as characterized by sorption isotherms, in situ pressure-resolved synchrotron X-ray diffraction and UV/Vis diffuse reflectance spectroscopy.

  16. Hydrogen sensor

    DOEpatents

    Duan, Yixiang; Jia, Quanxi; Cao, Wenqing

    2010-11-23

    A hydrogen sensor for detecting/quantitating hydrogen and hydrogen isotopes includes a sampling line and a microplasma generator that excites hydrogen from a gas sample and produces light emission from excited hydrogen. A power supply provides power to the microplasma generator, and a spectrometer generates an emission spectrum from the light emission. A programmable computer is adapted for determining whether or not the gas sample includes hydrogen, and for quantitating the amount of hydrogen and/or hydrogen isotopes are present in the gas sample.

  17. Isopiestic Determination of the Osmotic and Activity Coefficients of NaCl + SrCl2 + H2O at 298.15 K, and Representation with an Extended Ion-Interaction Model

    SciTech Connect

    Clegg, S L; Rard, J A; Miller, D G

    2004-11-09

    Isopiestic vapor-pressure measurements were made at 298.15 K for aqueous NaCl + SrCl{sub 2} solutions, using NaCl(aq) as the reference standard. The measurements for these ternary solutions were made at NaCl ionic strength fractions of y{sub 1} = 0.17066, 0.47366, and 0.82682 for the water activity range 0.9835 {ge} a{sub w} {ge} 0.8710. Our results, and those from two previous isopiestic studies, were combined and used with previously determined parameters for NaCl(aq) and those for SrCl{sub 2}(aq) determined here to evaluate the mixing parameters{sup S}{Theta}{sub Na,Sr} = (0.0562 {+-} 0.0007) kg {center_dot} mol{sup -1} and {Psi}{sub Na,Sr,Cl} = -(0.00705 {+-} 0.00017) kg{sup 2} {center_dot} mol{sup -2} for an extended form of Pitzer's ion-interaction model. These model parameters are valid for ionic strengths of I {le} 7.0 mol {center_dot} kg{sup -1}, where higher-order electrostatic effects have been included in the mixture model. If the fitting range is extended to the saturated solution molalities, then {sup S}{Theta}{sub Na,Sr} = (0.07885 {+-} 0.00195) kg {center_dot} mol{sup -1} and {Psi}{sub Na,Sr,Cl} = -(0.01230 {+-} 0.00033) kg{sup 2} {center_dot} mol{sup -2}. The extended ion-interaction model parameters obtained from available isopiestic data for SrCl{sub 2}(aq) at 298.15 K yield recommended values of the water activities and osmotic and activity coefficients.

  18. Hydrogenation apparatus

    DOEpatents

    Friedman, Joseph [Encino, CA; Oberg, Carl L [Canoga Park, CA; Russell, Larry H [Agoura, CA

    1981-01-01

    Hydrogenation reaction apparatus comprising a housing having walls which define a reaction zone and conduits for introducing streams of hydrogen and oxygen into the reaction zone, the oxygen being introduced into a central portion of the hydrogen stream to maintain a boundary layer of hydrogen along the walls of the reaction zone. A portion of the hydrogen and all of the oxygen react to produce a heated gas stream having a temperature within the range of from 1100.degree. to 1900.degree. C., while the boundary layer of hydrogen maintains the wall temperature at a substantially lower temperature. The heated gas stream is introduced into a hydrogenation reaction zone and provides the source of heat and hydrogen for a hydrogenation reaction. There also is provided means for quenching the products of the hydrogenation reaction. The present invention is particularly suitable for the hydrogenation of low-value solid carbonaceous materials to provide high yields of more valuable liquid and gaseous products.

  19. Extracting inter-dot tunnel couplings between few donor quantum dots in silicon

    NASA Astrophysics Data System (ADS)

    Gorman, S. K.; Broome, M. A.; Keizer, J. G.; Watson, T. F.; Hile, S. J.; Baker, W. J.; Simmons, M. Y.

    2016-05-01

    The long term scaling prospects for solid-state quantum computing architectures relies heavily on the ability to simply and reliably measure and control the coherent electron interaction strength, known as the tunnel coupling, t c. Here, we describe a method to extract the t c between two quantum dots (QDs) utilising their different tunnel rates to a reservoir. We demonstrate the technique on a few donor triple QD tunnel coupled to a nearby single-electron transistor (SET) in silicon. The device was patterned using scanning tunneling microscopy-hydrogen lithography allowing for a direct measurement of the tunnel coupling for a given inter-dot distance. We extract {t}{{c}}=5.5+/- 1.8 {{GHz}} and {t}{{c}}=2.2+/- 1.3 {{GHz}} between each of the nearest-neighbour QDs which are separated by 14.5 nm and 14.0 nm, respectively. The technique allows for an accurate measurement of t c for nanoscale devices even when it is smaller than the electron temperature and is an ideal characterisation tool for multi-dot systems with a charge sensor.

  20. Technetium bis(. mu. -oxo) dimers of 1,4,7-triazacyclononane-N,N prime N, double prime -triacetate (TCTA). Synthesis and characterization of (TCTA)Tc(. mu. -O) sub 2 Tc(TCTA) sup n- (n = 2,3) and the crystal structure of Ba sub 2 (TCTA)Tc(. mu. -O) sub 2 Tc(TCTA)(ClO sub 4 )ter dot 9H sub 2 O

    SciTech Connect

    Linder, K.E.; Dewan, J.C.; Davison, A. )

    1989-10-04

    The mixed-valence technetium(III/IV) bis({mu}-oxo) dimer ((TCTA)Tc({mu}-O){sub 2}Tc(TCTA)){sup 3{minus}} (1; TCTA = 1,4,7-triazayclononane-N,N{prime},N{double prime}-triacetate) has been prepared as its sodium and barium salts. This complex undergoes a reversible on-electron oxidation with potassium persulfate to form ((TCTA)Tc({mu}-O){sub 2}Tc(TCTA)){sup 2{minus}} (2). Both complexes have been characterized by elemental analysis, infrared, UV/visible, and resonance Raman spectroscopy, and fast atom bombardment mass spectrometry. A crystal structure analysis of the Tc(III/IV) dimeter Ba{sub 2}((TCTA)Tc({mu}O){sub 2}Tc(TCTA))(ClO{sub 4}){center dot}9H{sub 2}O (1c) reveals that the two Tc atoms are linked by a planar Tc({mu}-O){sub 2}Tc ring. One TCTA ligand binds to each Tc through an N{sub 3}O donor set, and one of the acetate groups from each ligand bridges the two metal atoms. Resonance Raman spectra of complexes 1 and 2 were obtained by irradiation at 514.5 nm; strong bands assigned to the four-membered Tc({mu}-O){sub 2}Tc ring and the metal-metal multiple bond were seen. The aqueous electrochemistry of the compounds confirms that they are related by a reversible one-electron wave. The Tc(III/IV) dimer 1 represents the first fully characterized Tc-(amino carboxylate) complex in an oxidation state lower than +4. Evidence for the existence of other Tc(III/IV) bis({mu}-oxo) dimers of this type with amino carboxylate ligands such as EDTA and NTA is presented. 23 refs., 3 figs., 4 tabs.

  1. Pressure-Induced Phase Transition in Guanidinium Perchlorate: A Supramolecular Structure Directed by Hydrogen Bonding and Electrostatic Interactions

    SciTech Connect

    Li, Shourui; Li, Qian; Wang, Kai; Tan, Xiao; Zhou, Mi; Li, Bing; Liu, Bingbing; Zou, Guangtian; Zou, Bo

    2012-01-20

    In situ Raman spectroscopy and synchrotron X-ray diffraction (XRD) experiments have been performed to investigate the response of guanidinium perchlorate (C(NH{sub 2}){sub 3}{sup +} {center_dot} ClO{sub 4}{sup -}, GP) to high pressures of {approx}11 GPa. GP exhibits a typical supramolecular structure of two-dimensional (2D) hydrogen-bonded ionic networks at ambient conditions. A subtle phase transition, accompanied by the symmetry transformation from R3m to C2, has been confirmed by obvious changes in both Raman and XRD patterns at 4.5 GPa. The phase transition is attributed to the competition between hydrogen bonds and close packing of the supramolecular structure at high pressure. Hydrogen bonds have been demonstrated to evolve into a distorted state through the phase transition, accompanied by the reduction in separation of oppositely charged ions in adjacent sheet motifs. A detailed mechanism of the phase transition, as well as the cooperativity between hydrogen bonding and electrostatic interactions, is discussed by virtue of the local nature of the structure.

  2. Electrochromic nanocrystal quantum dots.

    PubMed

    Wang, C; Shim, M; Guyot-Sionnest, P

    2001-03-23

    Incorporating nanocrystals into future electronic or optoelectronic devices will require a means of controlling charge-injection processes and an understanding of how the injected charges affect the properties of nanocrystals. We show that the optical properties of colloidal semiconductor nanocrystal quantum dots can be tuned by an electrochemical potential. The injection of electrons into the quantum-confined states of the nanocrystal leads to an electrochromic response, including a strong, size-tunable, midinfrared absorption corresponding to an intraband transition, a bleach of the visible interband exciton transitions, and a quench of the narrow band-edge photoluminescence. PMID:11264530

  3. The development of a fullerene based hydrogen storage system

    SciTech Connect

    Brosha, E.L.; Davey, J.R.; Garzon, F.H.; Gottesfeld, S.

    1998-11-01

    This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The project objective was to evaluate hydrogen uptake by fullerene substrates and to probe the potential of the hydrogen/fullerene system for hydrogen fuel storage. As part of this project, the authors have completed and tested a fully automated, computer controlled system for measuring hydrogen uptake that is capable of handling both a vacuum of 1 x 10{sup -6} torr and pressures greater than 200 bars. The authors have first established conditions for significant uptake of hydrogen by fullerenes. Subsequently, hydrogenation and dehydrogenation of pure and catalyst-doped C60 was further studied to probe suitability for hydrogen storage applications. C60 {center_dot} H18.7 was prepared at 100 bar H2 and 400 C, corresponding to hydrogen uptake of 2.6 wt%. Dehydrogenation of C60 {center_dot} H18.7 was studied using thermogravimetric and powder x-ray diffraction analysis. The C60 {center_dot} H18.7 molecule was found to be stable up to 430 C in Ar, at which point the release of hydrogen took place simultaneously with the collapse of the fullerene structure. X-ray diffraction analysis performed on C60 {center_dot} H18.7 samples dehydrogenated at 454 C, 475 C, and 600 C showed an increasing volume fraction of amorphous material due to randomly oriented, single-layer graphine sheets. Evolved gas analysis using gas chromatography and mass spectroscopy confirmed the presence of both H{sub 2} and methane upon dehydrogenation, indicating decomposition of the fullerene. The remaining carbon could not be re-hydrogenated. These results provide the first complete evidence for the irreversible nature of fullerene hydrogenation and for limitations imposed on the hydrogenation/dehydrogenation cycle by the limited thermal stability of the molecular crystal of fullerene.

  4. Association quotients of aluminum sulphate complexes in NaCl media from 50 to 125 C: Results of a potentiometric and solubility study

    SciTech Connect

    Ridley, M.K.; Kettler, R.M.; Wesolowski, D.J.; Palmer, D.A.

    1999-02-01

    The speciation and molal formation quotients for the complexation of aluminum with sulphate were measured based on potentiometric and solubility experiments. Potentiometric titrations, utilizing a hydrogen-electrode concentration cell, were performed from 50 to 125 C at ionic strengths of 0.1, 0.3 and 1.0 molal in aqueous NaCl media. Two aluminum-sulphate species, AlSO{sub 4}{sup +} and Al(SO{sub 4}){sub 2}{sup {minus}}, were identified from the titration data and the formation quotients for these species were modeled by empirical equations to describe their temperature and ionic strength dependencies. Thermodynamic parameters for the complexation reactions were obtained by differentiating the empirical equations with respect to temperature. The thermodynamic quantities obtained for the formation of AlSO{sub 4}{sup +} at 50 C and infinite dilution are: logK{sub 1} = 3.7 {+-} 0.4, {Delta}H{sub 1}{degree} = {minus}10 {+-} 30 kJ/mol, {Delta}S{sub 1}{degree} = 40 {+-} 100 J/K{center_dot}mol and {Delta}C{sub p 1}{degree} = 1900 {+-} 800 J/K{center_dot}mol; whereas the values for Al(SO{sub 4}){sub 2}{sup {minus}} are: logK{sub 2} = 5.6 {+-} 0.7, {Delta}H{sub 2}{degree} = 10 {+-} 50 kJ/mol, {Delta}S{sub 2}{degree} = 100 {+-} 100 J/K{center_dot}mol and {Delta}C{sub p 2}{degree} = 2800 {+-} 800 J/K{center_dot}mol. A solubility study, which was undertaken to verify the 50 C potentiometric data, was performed by reacting powdered gibbsite (Al(OH){sub 3}) with sulphate solutions at 10{sup {minus}3.5} and 10{sup {minus}4} molal H{sup +}, total sulphate concentrations from 0.005 to 0.080 molal, and 0.1 and 1.0 molal ionic strength in aqueous NaCl media. The results of the solubility study are in good agreement with the potentiometric data and establish that Al-sulphate complexation substantially enhances the equilibrium solubility of gibbsite.

  5. Quantum Dot Light-Emitting Diodes Based on Inorganic Perovskite Cesium Lead Halides (CsPbX3 ).

    PubMed

    Song, Jizhong; Li, Jianhai; Li, Xiaoming; Xu, Leimeng; Dong, Yuhui; Zeng, Haibo

    2015-11-25

    Novel quantum-dot light-emitting diodes based on all-inorganic perovskite CsPbX3 (X = Cl, Br, I) nanocrystals are reported. The well-dispersed, single-crystal quantum dots (QDs) exhibit high quantum yields, and tunable light emission wavelength. The demonstration of these novel perovskite QDs opens a new avenue toward designing optoelectronic devices, such as displays, photodetectors, solar cells, and lasers. PMID:26444873

  6. Protic Acid Hydrogen Bonding in Chlorofluoroethylenes: the Hydrogen Fluoride-Vinyl Chloride Complex

    NASA Astrophysics Data System (ADS)

    Leung, Helen O.; Marshall, Mark D.

    2012-06-01

    Our studies of intermolecular complexes formed in the gas phase between protic acids (HX) and chlorofluoroethylene complexes to date have demonstrated a preference for HX binding to a F atom over hydrogen bond formation with the Cl atom. Ab initio calculations suggest that this may not be true for species with an increased degree of halogen substitution on the ethylene. To characterize the nature of hydrogen bond formation with the less electronegative, but more polarizable Cl atom, we have obtained the microwave spectrum of HF-vinyl chloride complex. Analysis of the spectra for the 35Cl and 37Cl isotopologues demonstrate that the complex is planar and provides structural parameters for this species. This allows comparisons to be made between the HX hydrogen bond to Cl and that to F.

  7. Local Effects in the X-ray Absorption Spectrum of CaCl2, MgCl2, and NaCl Solutions

    SciTech Connect

    Kulik, H J; Correa Tedesco, A A; Schwegler, E; Prendergast, D; Galli, G

    2010-04-12

    Both first principles molecular dynamics and theoretical X-ray absorption spectroscopy have been used to investigate the aqueous solvation of cations in 0.5 M MgCl{sub 2}, CaCl{sub 2}, and NaCl solutions. We focus here on the species-specific effects that Mg{sup 2+}, Ca{sup 2+}, and Na{sup +}, have on the X-ray absorption spectrum of the respective solutions. For the divalent cations, we find that the hydrogen bonding characteristics of the more rigid magnesium first shell water molecules differ from those in the more flexible solvation shell surrounding calcium. In particular, the first solvation shell water molecules of calcium are accessible to forming acceptor hydrogen bonds, and this results in an enhancement of a post-edge peak near 540 eV. The absence of acceptor hydrogen bonds for magnesium first shell water molecules provides an explanation for the experimental and theoretical observation of a lack of enhancement at the post-main-edge peak. For the sodium monovalent cation we find that the broad tilt angle distribution results in a broadening of post-edge features, despite populations in donor-and-acceptor configurations consistent with calcium. We also present the re-averaged spectra of the MgCl{sub 2}, CaCl{sub 2}, and NaCl solutions and show that trends apparent with increasing concentration (0.5 M, 2.0 M, 4.0 M) are consistent with experiment. Finally, we examine more closely both the effect that cation coordination number has on the hydrogen bonding network and the relative perturbation strength of the cations on lone pair oxygen orbitals.

  8. Lighting Up Enzymes for Solar Hydrogen Production (Fact Sheet)

    SciTech Connect

    Not Available

    2011-02-01

    Scientists at the National Renewable Energy Laboratory (NREL) have combined quantum dots, which are spherical nanoparticles that possess unique size-tunable photophysical properties, with the high substrate selectivity and fast turnover of hydrogenase enzymes to achieve light-driven hydrogen (H2) production. They found that quantum dots of cadmium telluride coated in carboxylic acids easily formed highly stable complexes with the hydrogenase and that these hybrid assemblies functioned to catalyze H2 production using the energy of sunlight.

  9. Photocatalytic H2 evolution from NADH with carbon quantum dots/Pt and 2-phenyl-4-(1-naphthyl)quinolinium ion.

    PubMed

    Wu, Wenting; Zhan, Liying; Ohkubo, Kei; Yamada, Yusuke; Wu, Mingbo; Fukuzumi, Shunichi

    2015-11-01

    Carbon quantum dots (CQDs) were simply blended with platinum salts (K2PtCl4 and K2PtCl6) and converted into a hydrogen-evolution co-catalyst in situ, wherein Pt salts were dispersed on the surface of CQDs under photoirradiation of an aqueous solution of NADH (an electron and proton source) and 2-phenyl-4-(1-naphthyl)quinolinium ion (QuPh(+)-NA) employed as an organic photocatalyst. The co-catalyst (CQDs/Pt) exhibits similar catalytic reactivity in H2 evolution as that of pure Pt nanoparticles (PtNPs) although the Pt amount of CQDs/Pt was only 1/200 that of PtNPs previously reported. CQDs were able to capture the Pt salt acting as Pt supports. Meanwhile, CQDs act as electron reservoir, playing an important role to enhance electron transfer from QuPh(+)-NA to the Pt salt, which was confirmed by kinetic studies, XPS and HRTEM. PMID:25498411

  10. Hydrogen Production

    SciTech Connect

    2014-09-01

    This 2-page fact sheet provides a brief introduction to hydrogen production technologies. Intended for a non-technical audience, it explains how different resources and processes can be used to produce hydrogen. It includes an overview of research goals as well as “quick facts” about hydrogen energy resources and production technologies.

  11. Quantum dots: Rethinking the electronics

    NASA Astrophysics Data System (ADS)

    Bishnoi, Dimple

    2016-05-01

    In this paper, we demonstrate theoretically that the Quantum dots are quite interesting for the electronics industry. Semiconductor quantum dots (QDs) are nanometer-scale crystals, which have unique photo physical, quantum electrical properties, size-dependent optical properties, There small size means that electrons do not have to travel as far as with larger particles, thus electronic devices can operate faster. Cheaper than modern commercial solar cells while making use of a wider variety of photon energies, including "waste heat" from the sun's energy. Quantum dots can be used in tandem cells, which are multi junction photovoltaic cells or in the intermediate band setup. PbSe (lead selenide) is commonly used in quantum dot solar cells.

  12. Surfactant-induced hydrogen production in cyanobacteria

    SciTech Connect

    Famiglietti, M.; Luisi, P.L. ); Hochkoeppler, A. . Dept. di Biologia)

    1993-10-01

    Addition of Tween 85 to aqueous suspensions of Anabaena variabilis induced photosynthetic evolution of hydrogen over a time span of several weeks: as much as 148 nmol H[sub 2]/h [center dot] mg dry weight was produced in the first week by a suspension containing 4.2 mg dry weight of cells and 77 mM Tween 85. The chemical structure of Tween 85 was a necessary prerequisite for inducing hydrogen production, as compounds such as Tween 20, 60, and 80 had a quite different effect. There was a coupling between photosynthetic oxygen evolution and hydrogen evolution: Hydrogen evolution started to be effective only when oxygen evolution subdued. The presence of heterocysts in A. variabilis was also required for the Tween-induced hydrogen production. Based on these observations, possible mechanisms for the photosynthetic effect of Tween 85 are advanced and discussed.

  13. Heterogeneous Reaction of ClONO2(g) + NaCl(s) to Cl2(g) + NaNO3(s)

    NASA Technical Reports Server (NTRS)

    Timonen, Raimo S.; Chu, Liang T.; Leu, Ming-Taun; Keyser, Leon F.

    1994-01-01

    The heterogeneous reaction of ClON02 + NaCl yields Cl2 + NaNO3 (eq 1) was investigated over a temperature range 220-300 K in a flow-tube reactor interfaced with a differentially pumped quadrupole mass spectrometer. Partial pressures of ClON02 in the range 10(exp -8) - 10(exp -5) Torr were used. Granule sizes and surface roughness of the NaCl substrates were determined by using a scanning electron microscope, and in separate experiments, surface areas of the substrates were measured by using BET analysis of gas-adsorption isotherms. For dry NaCl substrates, both the decay rates of ClON02 and the growth rates Of C12 were used to obtain reaction probabilities, gamma(sub l) = (4.6 +/- 3.0) x 10(exp -3) at 296 K and (6.7 +/- 3.2) x 10(exp -1) at 225 K, after considering the internal surface area, The error bars represent 1 standard deviation. The Cl2 yield based on the ClONO2 reacted was measured to be 1.0 +/- 0.2. In order to mimic the conditions encountered in the lower stratosphere, the effect of water vapor pressures between 5 x 10(exp -5) and 3 x 10(exp -4) Torr on reaction 1 was also studied. With added H20, reaction probabilities, gamma = (4.1 +/- 2.1) x 10(exp -3) at 296 K and (4.7 +/- 2.9) x 10(exp -3) at 225 K, were obtained. A trace of HOCl, the reaction product from the ClON02 + H20 yield HOCl + HN03 reaction, was observed in addition to the C12 product from reaction 1. The implications of this result for the enhancement of hydrogen chloride in the stratosphere after the El Chichon volcanic eruption and for the marine troposphere are discussed.

  14. 76 FR 46597 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2A12 (CL-601) and CL-600-2B16 (CL-601-3A...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-03

    .... Model CL-600-2A12 (CL- 601) and CL-600-2B16 (CL-601-3A, CL-601-3R, and CL-604 Variants) Airplanes... Bombardier, Inc. model-- Task(s)-- Initial compliance time (whichever occurs later)-- CL-600-2A12 (CL-601... icing. accumulation of 4,800 after the effective inclusive; and CL-600-2B16 (CL- total flight hours;...

  15. Reactivity of anthracene in liquid SbCl/sub 3/-AlCl/sub 3/-N-(1-BUTYL)pyridinium chloride mixtures

    SciTech Connect

    Zingg, S.P.; Buchanan, A.C.; Chapman, D.M.; Dworkin, A.S.; Smith, G.P.; Sorlie, M.

    1983-05-01

    Mixtures of SbCl/sub 3/ and N-(1-butyl)pyridinium chloride (BPCl) containing 75-87 mol % SbCl/sub 3/ and SbCl/sub 3/-AlCl/sub 3/-BPCl mixtures containing 60 mol % SbCl/sub 3/ and 17-24 mol % BPCl were found to be liquid at 25/sup 0/C. Dilute solutions of anthracene were stable in ternary mixtures containing 18 mol % AlCl/sub 3/, but in mixtures containing 22-24 mol % AlCl/sub 3/, anthracene reacted under the influence of the solvent, which behaved as both oxidant and H-transfer catalyst. The oxidized product was protonated anthracene, which was stable in this melt. The source of protons was provided by hydrogen-liberating Scholl condensations combined with the reduction of Sb(III). A part of the hydrogen from Scholl reactions reacted with anthracene to form 9,10-dihydroanthracene. By contrast, a liquid mixture without SbCl/sub 3/, AlCl/sub 3/-BPCl (2:1 mole ratio), proved to be a much less active H-transfer catalyst than the SbCl/sub 3/-rich liquids even though it is a stronger Lewis acid, and it did not induce protonation beyond a trace attributable to protic impurities.

  16. Reactivity of anthracene in liquid SbCl/sub 3/-AlCl/sub 3/-N-(1-butyl)pyridinium chloride mixtures

    SciTech Connect

    Zingg, S.P.; Dworkin, A.S.; Sorlie, M.; Chapman, D.M.; Buchanan, A.C. III; Smith, G.P.

    1983-01-01

    Mixtures of SbCl/sub 3/ and N-(1-butyl)pyridinium chloride (BPCl) containing 75 to 87 mol % SbCl/sub 3/ and SbCl/sub 3/-AlCl/sub 3/-BPCl mixtures containing 60 mol % SbCl/sub 3/ and 17 to 24 mol % BPCl were found to be liquid at 25/sup 0/C. Dilute solutions of anthracene were stable in ternary mixtures containing 18 mol % AlCl/sub 3/, but in mixtures containing 22 to 24 mol % AlCl/sub 3/, anthracene reacted under the influence of the solvent, which behaved as both oxidant and H-transfer catalyst. The oxidized product was protonated anthracene, which was stable in this melt. The source of protons was provided by hydrogen-liberating Scholl condensations combined with the reduction of Sb(III). A part of the hydrogen from Scholl reactions reacted with anthracene to form 9,10-dihydroanthracene. By contrast, a liquid mixture without SbCl/sub 3/, AlCl/sub 3/-BPCl (2:1 mole ratio), proved to be a much less active H-transfer catalyst than the SbCl/sub 3/-rich liquids even though it is a stronger Lewis acid, and it did not induce protonation beyond a trace attributable to protic impurities.

  17. ADVANCED HYDROGEN TRANSPORT MEMBRANES FOR VISION 21 FOSSIL FUEL PLANTS

    SciTech Connect

    Carl R. Evenson; Anthony F. Sammells; Richard Mackay; Richard Treglio; Sara L. Rolfe; Richard Blair; U. Balachandran; Richard N. Kleiner; James E. Stephan; Frank E. Anderson; Chandra Ratnasamy; Jon P. Wagner; Clive Brereton; Warren Wolfs

    2004-07-26

    During this quarter, work was focused on testing layered composite membranes under varying feed stream flow rates at high pressure. By optimizing conditions, H{sub 2} permeation rates as high as 423 mL {center_dot} min{sup -1} {center_dot} cm{sup -2} at 440 C were measured. Membrane stability was investigated by comparison to composite alloy membranes. Permeation of alloyed membranes showed a strong dependence on the alloying element. Impedance analysis was used to investigate bulk and grain boundary conductivity in cermets. Thin film cermet deposition procedures were developed, hydrogen dissociation catalysts were evaluated, and hydrogen separation unit scale-up issues were addressed.

  18. Hydrogenation apparatus

    DOEpatents

    Friedman, J.; Oberg, C. L.; Russell, L. H.

    1981-06-23

    Hydrogenation reaction apparatus is described comprising a housing having walls which define a reaction zone and conduits for introducing streams of hydrogen and oxygen into the reaction zone, the oxygen being introduced into a central portion of the hydrogen stream to maintain a boundary layer of hydrogen along the walls of the reaction zone. A portion of the hydrogen and all of the oxygen react to produce a heated gas stream having a temperature within the range of from 1,100 to 1,900 C, while the boundary layer of hydrogen maintains the wall temperature at a substantially lower temperature. The heated gas stream is introduced into a hydrogenation reaction zone and provides the source of heat and hydrogen for a hydrogenation reaction. There also is provided means for quenching the products of the hydrogenation reaction. The present invention is particularly suitable for the hydrogenation of low-value solid carbonaceous materials to provide high yields of more valuable liquid and gaseous products. 2 figs.

  19. Microwave Spectra and Structures of H_2S-CuCl and H_2O-CuCl.

    NASA Astrophysics Data System (ADS)

    Walker, N. R.; Wheatley, D. E.; Stephens, S. L.; Roberts, F. J.; Mikhailov, V. A.; Legon, A. C.

    2010-06-01

    A Balle-Flygare FT-MW spectrometer coupled to a laser ablation source has been used to measure the pure rotational spectra of H2S-CuCl and H2O-CuCl. Both molecules are generated via laser ablation (532 nm) of a metal rod in the presence of CCl4, argon, a low partial pressure of H2S or H2O and are stabilized by supersonic expansion. Rotational constants and centrifugal distortion constants have been measured for eight isotopologues of H2S-CuCl with substitutions available at the copper, chlorine and hydrogen atoms. Transitions in the spectra of nine isotopologues of H2O-CuCl have been measured with isotopic substitutions achieved for every atom. The spectra of both H2S-CuCl and H2O-CuCl are consistent with a linear arrangement of sulphur or oxygen, metal and chlorine atoms. The structure of H2S-CuCl is pyramidal with CS symmetry. The structure of H2O-CuCl is either C2v planar at equilibrium or CS pyramidal but with a low potential-energy barrier to planarity such that the v=0 and 1 states associated with the motion that inverts the configuration at the O atom are well separated. Nuclear quadrupole coupling constants have been measured for the chlorine and copper atoms in each molecule. Nuclear spin-rotation constants have been determined for the copper atom.

  20. Single to quadruple quantum dots with tunable tunnel couplings

    SciTech Connect

    Takakura, T.; Noiri, A.; Obata, T.; Yoneda, J.; Yoshida, K.; Otsuka, T.; Tarucha, S.

    2014-03-17

    We prepare a gate-defined quadruple quantum dot to study the gate-tunability of single to quadruple quantum dots with finite inter-dot tunnel couplings. The measured charging energies of various double dots suggest that the dot size is governed by the gate geometry. For the triple and quadruple dots, we study the gate-tunable inter-dot tunnel couplings. For the triple dot, we find that the effective tunnel coupling between side dots significantly depends on the alignment of the center dot potential. These results imply that the present quadruple dot has a gate performance relevant for implementing spin-based four-qubits with controllable exchange couplings.

  1. RECONCILE Airborne ClOx Measurements and the ClO/ClOOCl Equilibrium Constant

    NASA Astrophysics Data System (ADS)

    Stroh, Fred; Grooß, Jens-Uwe; Heinecke, Florian; Suminska, Olga; von Hobe, Marc; Volk, Michael; Wegner, Tobias

    2013-04-01

    ClOx (denoting mainly ClO and its peroxide dimer ClOOCl) chemistry is driving the ClO dimer and ClO-BrO catalytic ozone destruction cycles leading to the ozone hole phenomena in southern and northern high latitudes. HALOX is an in-situ instrument to measure ClO and ClO dimer by the technique of thermal dissociation (of the dimer) followed by chemical conversion and resonance fluorescence (CCRF) detection of the halogen atoms. The instrument was installed onboard the high-flying research aircraft M55 Geophysica during the RECONCILE Arctic field campaign in early 2010. While results for the ClO dimer, ClOOCl, photolysis derived from the sunrise evolution of ClO during a self-match flight have been recently published by Suminska-Ebersoldt et al. (Atmosph. Chem. Phys. 12, 1353-1365, 2012) we now present ClO dimer data which could only be derived after thorough laboratory calibrations of the thermolysis efficiency of the HALOX inlet heater element. Details of the calibration setup and the procedure are presented and preliminary results for the ClO/ClOOCl equilibrium constant are derived and discussed.

  2. Optically active quantum dots

    NASA Astrophysics Data System (ADS)

    Gerard, Valerie; Govan, Joseph; Loudon, Alexander; Baranov, Alexander V.; Fedorov, Anatoly V.; Gun'ko, Yurii K.

    2015-10-01

    The main goal of our research is to develop new types of technologically important optically active quantum dot (QD) based materials, study their properties and explore their biological applications. For the first time chiral II-VI QDs have been prepared by us using microwave induced heating with the racemic (Rac), D- and L-enantiomeric forms of penicillamine as stabilisers. Circular dichroism (CD) studies of these QDs have shown that D- and L-penicillamine stabilised particles produced mirror image CD spectra, while the particles prepared with a Rac mixture showed only a weak signal. It was also demonstrated that these QDs show very broad emission bands between 400 and 700 nm due to defects or trap states on the surfaces of the nanocrystals. These QDs have demonstrated highly specific chiral recognition of various biological species including aminoacids. The utilisation of chiral stabilisers also allowed the preparation of new water soluble white emitting CdS nano-tetrapods, which demonstrated circular dichroism in the band-edge region of the spectrum. Biological testing of chiral CdS nanotetrapods displayed a chiral bias for an uptake of the D- penicillamine stabilised nano-tetrapods by cancer cells. It is expected that this research will open new horizons in the chemistry of chiral nanomaterials and their application in nanobiotechnology, medicine and optical chemo- and bio-sensing.

  3. Alkyl Chlorides as Hydrogen Bond Acceptors

    SciTech Connect

    Nadas, Janos I; Vukovic, Sinisa; Hay, Benjamin

    2012-01-01

    To gain an understanding of the role of an alkyl chloride as a hydrogen bond acceptor, geometries and interaction energies were calculated at the MP2/aug-cc-pVDZ level of theory for complexes between ethyl chloride and representative hydrogen donor groups. The results establish that these donors, which include hydrogen cyanide, methanol, nitrobenzene, pyrrole, acetamide, and N-methylurea, form X-H {hor_ellipsis} Cl hydrogen bonds (X = C, N, O) of weak to moderate strength, with {Delta}E values ranging from -2.8 to -5.3 kcal/mol.

  4. High efficiency stationary hydrogen storage

    SciTech Connect

    Hynek, S.; Fuller, W.; Truslow, S.

    1995-09-01

    Stationary storage of hydrogen permits one to make hydrogen now and use it later. With stationary hydrogen storage, one can use excess electrical generation capacity to power an electrolyzer, and store the resultant hydrogen for later use or transshipment. One can also use stationary hydrogen as a buffer at fueling stations to accommodate non-steady fueling demand, thus permitting the hydrogen supply system (e.g., methane reformer or electrolyzer) to be sized to meet the average, rather than the peak, demand. We at ADL designed, built, and tested a stationary hydrogen storage device that thermally couples a high-temperature metal hydride to a phase change material (PCM). The PCM captures and stores the heat of the hydriding reaction as its own heat of fusion (that is, it melts), and subsequently returns that heat of fusion (by freezing) to facilitate the dehydriding reaction. A key component of this stationary hydrogen storage device is the metal hydride itself. We used nickel-coated magnesium powder (NCMP) - magnesium particles coated with a thin layer of nickel by means of chemical vapor deposition (CVD). Magnesium hydride can store a higher weight fraction of hydrogen than any other practical metal hydride, and it is less expensive than any other metal hydride. We designed and constructed an experimental NCM/PCM reactor out of 310 stainless steel in the form of a shell-and-tube heat exchanger, with the tube side packed with NCMP and the shell side filled with a eutectic mixture of NaCL, KCl, and MgCl{sub 2}. Our experimental results indicate that with proper attention to limiting thermal losses, our overall efficiency will exceed 90% (DOE goal: >75%) and our overall system cost will be only 33% (DOE goal: <50%) of the value of the delivered hydrogen. It appears that NCMP can be used to purify hydrogen streams and store hydrogen at the same time. These prospects make the NCMP/PCM reactor an attractive component in a reformer-based hydrogen fueling station.

  5. Hydrogen Generator

    NASA Technical Reports Server (NTRS)

    1978-01-01

    Another spinoff from spacecraft fuel cell technology is the portable hydrogen generator shown. Developed by General Electric Company, it is an aid to safer operation of systems that use hydrogen-for example, gas chromatographs, used in laboratory analysis of gases. or flame ionization detectors used as $ollution monitors. The generator eliminates the need for high-pressure hydrogen storage bottles, which can be a safety hazard, in laboratories, hospitals and industrial plants. The unit supplies high-purity hydrogen by means of an electrochemical process which separates the hydrogen and oxygen in distilled water. The oxygen is vented away and the hydrogen gas is stored within the unit for use as needed. GE's Aircraft Equipment Division is producing about 1,000 of the generators annually.

  6. Impurity-modulated Aharonov-Bohm oscillations and intraband optical absorption in quantum dot-ring nanostructures

    NASA Astrophysics Data System (ADS)

    Barseghyan, M. G.; Manaselyan, A. Kh.; Laroze, D.; Kirakosyan, A. A.

    2016-07-01

    In this work we study the electronic states in quantum dot-ring complex nanostructures with an on-center hydrogenic impurity. The influence of the impurity on Aharonov-Bohm energy spectra oscillations and intraband optical absorption is investigated. It is shown that in the presence of a hydrogenic donor impurity the Aharonov-Bohm oscillations in quantum dot-ring structures become highly tunable. Furthermore, the presence of the impurity drastically changes the intraband absorption spectra due to the strong controllability of the electron localization type.

  7. Transport through graphene quantum dots

    NASA Astrophysics Data System (ADS)

    Güttinger, J.; Molitor, F.; Stampfer, C.; Schnez, S.; Jacobsen, A.; Dröscher, S.; Ihn, T.; Ensslin, K.

    2012-12-01

    We review transport experiments on graphene quantum dots and narrow graphene constrictions. In a quantum dot, electrons are confined in all lateral dimensions, offering the possibility for detailed investigation and controlled manipulation of individual quantum systems. The recently isolated two-dimensional carbon allotrope graphene is an interesting host to study quantum phenomena, due to its novel electronic properties and the expected weak interaction of the electron spin with the material. Graphene quantum dots are fabricated by etching mono-layer flakes into small islands (diameter 60-350 nm) with narrow connections to contacts (width 20-75 nm), serving as tunneling barriers for transport spectroscopy. Electron confinement in graphene quantum dots is observed by measuring Coulomb blockade and transport through excited states, a manifestation of quantum confinement. Measurements in a magnetic field perpendicular to the sample plane allowed to identify the regime with only a few charge carriers in the dot (electron-hole transition), and the crossover to the formation of the graphene specific zero-energy Landau level at high fields. After rotation of the sample into parallel magnetic field orientation, Zeeman spin splitting with a g-factor of g ≈ 2 is measured. The filling sequence of subsequent spin states is similar to what was found in GaAs and related to the non-negligible influence of exchange interactions among the electrons.

  8. The reason why HAlCl(4) acid does not exist.

    PubMed

    Sikorska, Celina; Freza, Sylwia; Skurski, Piotr

    2010-02-11

    The explanation of the hypothetical HAlCl(4) acid instability is provided on the basis of theoretical considerations supported by ab initio calculations. The equilibrium structures of LiAlCl(4), NaAlCl(4), and KAlCl(4) salts were examined and compared to that of their corresponding parent acid. The process of formation of the representative NaAlCl(4) salt was analyzed, and the interaction energy between NaCl and AlCl(3) was estimated to be ca. 55 kcal/mol while that between HCl and AlCl(3) (when the HAlCl(4) species is formed) was calculated to be smaller by an order of magnitude (ca. 8 kcal/mol). The hypothetical HAlCl(4) acid was identified as an HCl...AlCl(3) adduct (with the hydrogen chloride tethered weakly to the quasi-planar aluminum chloride molecule). The electron affinity of the neutral AlCl(4) superhalogen molecule was found to be the factor determining the ability to form a stable compound of MAlCl(4) type. PMID:20088497

  9. Etude structurale et vibrationnelle d'un nouveau composé complexe de cobalt: [Co(imidazole)4Cl]Cl.

    PubMed

    Derbel, Amira; Mhiri, Tahar; Graia, Mohsen

    2015-10-01

    In the title complex, chlorido-tetra-kis-(1H-imidazole-κN (3))cobalt(II) chloride, [CoCl(C3H4N2)4]Cl, the Co(II) cation has a distorted square-pyramidal coordination environment. It is coordinated by four N atoms of four imidazole (Im) groups in the basal plane, and by a Cl atom in the apical position. It is isostructural with [Cu(Im)4Cl]Cl [Morzyk-Ociepa et al. (2012 ▸). J. Mol. Struct. 1028, 49-56] and [Cu(Im)4Br]Br [Hossaini Sadr et al. (2004 ▸). Acta Cryst. E60, m1324-m1326]. In the crystal, the [CoCl(C3H4N2)4](+) cations and Cl(-) anions are linked via N-H⋯Cl hydrogen bonds, forming layers parallel to (010). These layers are linked via C-H⋯Cl hydrogen bonds and C-H⋯π and π-π [inter-centroid distance = 3.794 (2) Å] inter-actions, forming a three-dimensional framework. The IR spectrum shows vibrational bands typical for imidazol groups. The monoclinic unit cell of the title compound emulates an ortho-rhom-bic cell as its β angle is close to 90°. The crystal is twinned, with the refined ratio of twin components being 0.569 (1):0.431 (1). PMID:26594402

  10. Impurity binding energies in quantum dots with parabolic confinement

    NASA Astrophysics Data System (ADS)

    Abramov, Arnold

    2015-03-01

    We present an effective numerical procedure to calculate the binding energies and wave functions of the hydrogen-like impurity states in a quantum dot (QD) with parabolic confinement. The unknown wave function was expressed as an expansion over one-dimensional harmonic oscillator states, which describes the electron's movement along the defined z-axis. Green's function technique used to obtain the solution of Schredinger equation for electronic states in a transverse plane. Binding energy of impurity states is defined as poles of the wave function. The dependences of the binding energy on the position of an impurity, the size of the QD and the magnetic field strength are presented and discussed.

  11. Biosynthesis of luminescent quantum dots in an earthworm

    NASA Astrophysics Data System (ADS)

    Stürzenbaum, S. R.; Höckner, M.; Panneerselvam, A.; Levitt, J.; Bouillard, J.-S.; Taniguchi, S.; Dailey, L.-A.; Khanbeigi, R. Ahmad; Rosca, E. V.; Thanou, M.; Suhling, K.; Zayats, A. V.; Green, M.

    2013-01-01

    The synthesis of designer solid-state materials by living organisms is an emerging field in bio-nanotechnology. Key examples include the use of engineered viruses as templates for cobalt oxide (Co3O4) particles, superparamagnetic cobalt-platinum alloy nanowires and gold-cobalt oxide nanowires for photovoltaic and battery-related applications. Here, we show that the earthworm's metal detoxification pathway can be exploited to produce luminescent, water-soluble semiconductor cadmium telluride (CdTe) quantum dots that emit in the green region of the visible spectrum when excited in the ultraviolet region. Standard wild-type Lumbricus rubellus earthworms were exposed to soil spiked with CdCl2 and Na2TeO3 salts for 11 days. Luminescent quantum dots were isolated from chloragogenous tissues surrounding the gut of the worm, and were successfully used in live-cell imaging. The addition of polyethylene glycol on the surface of the quantum dots allowed for non-targeted, fluid-phase uptake by macrophage cells.

  12. Superconducting Nanotube Dots

    NASA Astrophysics Data System (ADS)

    Schönenberger, Christian

    2007-03-01

    In this talk, I will focus on charge transport in carbon nanotube devices with superconducting source and drain contacts in the finite-bias non-equilibrium transport regime. As contact material, bi-layers of Au and Al were used and transport has been studied at temperatures in the 0.1 K range. Because carbon nanotubes are quantum dots (qdots), we in fact explore the physics of qdots with superconducting contacts, something which only recently became possible thanks to carbon nanotubes and most recently to semiconducting nanowires. In my talk, I will first summarize our pioneering work on multiwalled carbon nanotubes in which we could demonstrate proximity induced effects both in the weak and the strong coupling regime. In the latter an intriguing interplay between superconductivity and Kondo physics appears. Then, I will discuss the physics of multiple Andreev reflection in a situation when only one resonant state is present and compare this with experimental results. Finally, I will compare our early results with our recent measurements on single-wall carbon nanotubes. This work has been supported by the Swiss Institute on Nanoscience, the Swiss National Science Foundation, EU projects DIENOW and HYSWITCH. I gratefully acknowledge contribution of the following persons to this work (in alphabetic order): B. Babic, W. Belzig, C. Bruder, M. R. Buitelaar, J.-C. Cuevas, A. Eichler, L. Forro, J. Gobrecht, M. Gr"aber, M. Iqbal, T. Kontos, A. Levy Yeyati, A. Martin-Rodero, T. Nussbaumer, S. Oberholzer, C. Strunk, H. Scharf, J. Trbovic, E. Vecino, M. Weiss

  13. Chiral Graphene Quantum Dots.

    PubMed

    Suzuki, Nozomu; Wang, Yichun; Elvati, Paolo; Qu, Zhi-Bei; Kim, Kyoungwon; Jiang, Shuang; Baumeister, Elizabeth; Lee, Jaewook; Yeom, Bongjun; Bahng, Joong Hwan; Lee, Jaebeom; Violi, Angela; Kotov, Nicholas A

    2016-02-23

    Chiral nanostructures from metals and semiconductors attract wide interest as components for polarization-enabled optoelectronic devices. Similarly to other fields of nanotechnology, graphene-based materials can greatly enrich physical and chemical phenomena associated with optical and electronic properties of chiral nanostructures and facilitate their applications in biology as well as other areas. Here, we report that covalent attachment of l/d-cysteine moieties to the edges of graphene quantum dots (GQDs) leads to their helical buckling due to chiral interactions at the "crowded" edges. Circular dichroism (CD) spectra of the GQDs revealed bands at ca. 210-220 and 250-265 nm that changed their signs for different chirality of the cysteine edge ligands. The high-energy chiroptical peaks at 210-220 nm correspond to the hybridized molecular orbitals involving the chiral center of amino acids and atoms of graphene edges. Diverse experimental and modeling data, including density functional theory calculations of CD spectra with probabilistic distribution of GQD isomers, indicate that the band at 250-265 nm originates from the three-dimensional twisting of the graphene sheet and can be attributed to the chiral excitonic transitions. The positive and negative low-energy CD bands correspond to the left and right helicity of GQDs, respectively. Exposure of liver HepG2 cells to L/D-GQDs reveals their general biocompatibility and a noticeable difference in the toxicity of the stereoisomers. Molecular dynamics simulations demonstrated that d-GQDs have a stronger tendency to accumulate within the cellular membrane than L-GQDs. Emergence of nanoscale chirality in GQDs decorated with biomolecules is expected to be a general stereochemical phenomenon for flexible sheets of nanomaterials. PMID:26743467

  14. Optical Fiber Sensing Using Quantum Dots

    PubMed Central

    Jorge, Pedro; Martins, Manuel António; Trindade, Tito; Santos, José Luís; Farahi, Faramarz

    2007-01-01

    Recent advances in the application of semiconductor nanocrystals, or quantum dots, as biochemical sensors are reviewed. Quantum dots have unique optical properties that make them promising alternatives to traditional dyes in many luminescence based bioanalytical techniques. An overview of the more relevant progresses in the application of quantum dots as biochemical probes is addressed. Special focus will be given to configurations where the sensing dots are incorporated in solid membranes and immobilized in optical fibers or planar waveguide platforms.

  15. Low Threshold Quantum Dot Lasers.

    PubMed

    Iyer, Veena Hariharan; Mahadevu, Rekha; Pandey, Anshu

    2016-04-01

    Semiconductor quantum dots have replaced conventional inorganic phosphors in numerous applications. Despite their overall successes as emitters, their impact as laser materials has been severely limited. Eliciting stimulated emission from quantum dots requires excitation by intense short pulses of light typically generated using other lasers. In this Letter, we develop a new class of quantum dots that exhibit gain under conditions of extremely low levels of continuous wave illumination. We observe thresholds as low as 74 mW/cm(2) in lasers made from these materials. Due to their strong optical absorption as well as low lasing threshold, these materials could possibly convert light from diffuse, polychromatic sources into a laser beam. PMID:26978011

  16. Experimental investigation of a hydrogen plasma railgun

    SciTech Connect

    Harden, B.; Howell, J.R. . Center for Energy Studies)

    1991-10-01

    This paper reports that the plasma velocity and temperature and composition distributions in a hydrogen plasma railgun were measured. Typical velocities near the muzzle were {approximately}95 km/s at an initial capacitor bank stored energy of 4.1 kJ. Temperatures ranged from a peak of {approximately}24000 K in the current-carrying plasma, to {approximately}85000 K in the tail. The current-carrying plasma was composed of roughly equal parts of hydrogen and copper. Also, computer modeling of armature B-dot probe signals has yielded a simple interpretation of the signal.

  17. Self-assembly drives quantum dot photoluminescence.

    PubMed

    Plain, J; Sonnefraud, Y; Viste, P; Lérondel, G; Huant, S; Royer, P

    2009-03-01

    Engineering the spectral properties of quantum dots can be achieved by a control of the quantum dots organization on a substrate. Indeed, many applications of quantum dots as LEDs are based on the realization of a 3D architecture of quantum dots. In this contribution, we present a systematic study of the quantum dot organization obtained on different chemically modified substrates. By varying the chemical affinity between the quantum dots and the substrate, the quantum dot organization is strongly modified from the 2D monolayer to the 3D aggregates. Then the photoluminescence of the different obtained samples has been systematically studied and correlated with the quantum dot film organization. We clearly show that the interaction between the substrate and the quantum dot must be stronger than the quantum dot-quantum dot interaction to avoid 3D aggregation and that these organization strongly modified the photoluminescence of the film rather than intrinsic changes of the quantum dot induced by pure surface chemistry. PMID:18792763

  18. Anomalous polarization in coupled quantum dots

    NASA Astrophysics Data System (ADS)

    Xu, X. H.; Jiang, H.; Sun, X.; Lin, H. Q.

    2000-04-01

    The coupled quantum dots can be designed to possess negative polarizability in low-lying excited states. In an electric field, the coupled dots are polarized, and the dipole moment of the coupled dots is reversed by absorbing one photon. This photoswitch effect is a new photoinduced phenomenon.

  19. A colloidal quantum dot spectrometer

    NASA Astrophysics Data System (ADS)

    Bao, Jie; Bawendi, Moungi G.

    2015-07-01

    Spectroscopy is carried out in almost every field of science, whenever light interacts with matter. Although sophisticated instruments with impressive performance characteristics are available, much effort continues to be invested in the development of miniaturized, cheap and easy-to-use systems. Current microspectrometer designs mostly use interference filters and interferometric optics that limit their photon efficiency, resolution and spectral range. Here we show that many of these limitations can be overcome by replacing interferometric optics with a two-dimensional absorptive filter array composed of colloidal quantum dots. Instead of measuring different bands of a spectrum individually after introducing temporal or spatial separations with gratings or interference-based narrowband filters, a colloidal quantum dot spectrometer measures a light spectrum based on the wavelength multiplexing principle: multiple spectral bands are encoded and detected simultaneously with one filter and one detector, respectively, with the array format allowing the process to be efficiently repeated many times using different filters with different encoding so that sufficient information is obtained to enable computational reconstruction of the target spectrum. We illustrate the performance of such a quantum dot microspectrometer, made from 195 different types of quantum dots with absorption features that cover a spectral range of 300 nanometres, by measuring shifts in spectral peak positions as small as one nanometre. Given this performance, demonstrable avenues for further improvement, the ease with which quantum dots can be processed and integrated, and their numerous finely tuneable bandgaps that cover a broad spectral range, we expect that quantum dot microspectrometers will be useful in applications where minimizing size, weight, cost and complexity of the spectrometer are critical.

  20. Toxicity of Oxidatively Degraded Quantum Dots

    PubMed Central

    Wiecinski, Paige N.; Metz, Kevin M.; King Heiden, Tisha C.; Louis, Kacie M.; Mangham, Andrew N.; Hamers, Robert J.; Heideman, Warren; Peterson, Richard E.; Pedersen, Joel A.

    2014-01-01

    Once released into the environment, engineered nanoparticles (eNPs) are subjected to processes that may alter their physical or chemical properties, potentially altering their toxicity vis-à-vis the as-synthesized materials. We examined the toxicity to zebrafish embryos of CdSecore/ZnSshell quantum dots (QDs) before and after exposure to an in vitro chemical model designed to simulate oxidative weathering in soil environments based on a reductant-driven Fenton’s reaction. Exposure to these oxidative conditions resulted in severe degradation of the QDs: the Zn shell eroded, Cd2+ and selenium were released, and amorphous Se-containing aggregates were formed. Weathered QDs exhibited higher potency than did as-synthesized QDs. Morphological endpoints of toxicity included pericardial, ocular and yolk sac edema, non-depleted yolk, spinal curvature, tail malformations, and craniofacial malformations. To better understand the selenium-like toxicity observed in QD exposures, we examined the toxicity of selenite, selenate and amorphous selenium nanoparticles (SeNPs). Selenite exposures resulted in high mortality to embryos/larvae while selenate and SeNPs were non-toxic. Co-exposures to SeNPs + CdCl2 resulted in dramatic increase in mortality and recapitulated the morphological endpoints of toxicity observed with weathered QD exposures. Cadmium body burden was increased in larvae exposed to weathered QDs or SeNP + CdCl2 suggesting the increased potency of weathered QDs was due to selenium modulation of cadmium toxicity. Our findings highlight the need to examine the toxicity of eNPs after they have undergone environmental weathering processes. PMID:23815598

  1. Chlorine doped graphene quantum dots: Preparation, properties, and photovoltaic detectors

    SciTech Connect

    Zhao, Jianhong; Xiang, Jinzhong; Tang, Libin Ji, Rongbin Yuan, Jun; Zhao, Jun; Yu, Ruiyun; Tai, Yunjian; Song, Liyuan

    2014-09-15

    Graphene quantum dots (GQDs) are becoming one of the hottest advanced functional materials because of the opening of the bandgap due to quantum confinement effect, which shows unique optical and electrical properties. The chlorine doped GQDs (Cl-GQDs) have been fabricated by chemical exfoliation of HCl treated carbon fibers (CFs), which were prepared from degreasing cotton through an annealing process at 1000 °C for 30 min. Raman study shows that both G and 2D peaks of GQDs may be redshifted (softened) by chlorine doping, leading to an n-type doping. The first vertical (Cl)-GQDs based photovoltaic detectors have been demonstrated, both the light absorbing and electron-accepting roles for (Cl)-GQDs in photodetection have been found, resulting in an exceptionally big ratio of photocurrent to dark current as high as ∼10{sup 5} at room temperature using a 405 nm laser irradiation under the reverse bias voltage. The study expands the application of (Cl)-GQDs to the important optoelectronic detection devices.

  2. Reversible Photoswitching of Carbon Dots

    PubMed Central

    Khan, Syamantak; Verma, Navneet Chandra; Gupta, Abhishek; Nandi, Chayan Kanti

    2015-01-01

    We present a method of reversible photoswitching in carbon nanodots with red emission. A mechanism of electron transfer is proposed. The cationic dark state, formed by the exposure of red light, is revived back to the bright state with the very short exposure of blue light. Additionally, the natural on-off state of carbon dot fluorescence was tuned using an electron acceptor molecule. Our observation can make the carbon dots as an excellent candidate for the super-resolution imaging of nanoscale biomolecules within the cell. PMID:26078266

  3. Hydrogen Bibliography

    SciTech Connect

    Not Available

    1991-12-01

    The Hydrogen Bibliography is a compilation of research reports that are the result of research funded over the last fifteen years. In addition, other documents have been added. All cited reports are contained in the National Renewable Energy Laboratory (NREL) Hydrogen Program Library.

  4. 75 FR 64636 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2B19 (Regional Jet Series 100 & 440...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-20

    ... 12866; 2. Is not a ``significant rule'' under the DOT Regulatory Policies and Procedures (44 FR 11034.... Model CL-600-2B19 (Regional Jet Series 100 & 440) Airplanes AGENCY: Federal Aviation Administration (FAA... of on-ground hydraulic accumulator screw cap/end cap failure have been experienced on...

  5. 75 FR 63054 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2B19 (Regional Jet Series 100 & 440...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-14

    ... published in the Federal Register on January 5, 2010 (75 FR 258). That NPRM proposed to correct an unsafe...'' under the DOT Regulatory Policies and Procedures (44 FR 11034, February 26, 1979); and 3. Will not have.... Model CL-600-2B19 (Regional Jet Series 100 & 440) Airplanes AGENCY: Federal Aviation Administration...

  6. A novel silica-coated multiwall carbon nanotube with CdTe quantum dots nanocomposite

    NASA Astrophysics Data System (ADS)

    Fei, Qiang; Xiao, Dehai; Zhang, Zhiquan; Huan, Yanfu; Feng, Guodong

    2009-10-01

    A novel silica-coated multiwall carbon nanotube (MWNTs) with CdTe quantum dots nanocomposite was synthesized in this paper. Here, we show the in situ growth of crystalline CdTe quantum dots on the surfaces of oxidized MWNTs. The approach proposed herein differs from previous attempts to synthesize nanotube assemblies in that we mix the oxidized MWNTs into CdCl 2 solution of CdTe nanocrystals synthesized in aqueous solution. Reinforced the QD-MWNTs heterostructures with silica coating, this method is not invasive and does not introduce defects to the structure of carbon nanotubes (CNTs), and it ensures high stability in a range of organic solvents. Furthermore, a narrow SiO 2 layer on the MWNT-CdTe heterostructures can eliminate the biological toxicity of quantum dots and carbon nanotubes. This is not only a breakthrough in the synthesis of one-dimensional nanostructures, but also taking new elements into bio-nanotechnology.

  7. High (36)Cl/Cl ratios in Chernobyl groundwater.

    PubMed

    Roux, Céline; Le Gal La Salle, Corinne; Simonucci, Caroline; Van Meir, Nathalie; Fifield, L Keith; Diez, Olivier; Bassot, Sylvain; Simler, Roland; Bugai, Dmitri; Kashparov, Valery; Lancelot, Joël

    2014-12-01

    After the explosion of the Chernobyl Nuclear Power Plant in April 1986, contaminated material was buried in shallow trenches within the exclusion zone. A (90)Sr plume was evidenced downgradient of one of these trenches, trench T22. Due to its conservative properties, (36)Cl is investigated here as a potential tracer to determine the maximal extent of the contamination plume from the trench in groundwater. (36)Cl/Cl ratios measured in groundwater, trench soil water and leaf leachates are 1-5 orders of magnitude higher than the theoretical natural (36)Cl/Cl ratio. This contamination occurred after the Chernobyl explosion and currently persists. Trench T22 acts as an obvious modern point source of (36)Cl, however other sources have to be involved to explain such contamination. (36)Cl contamination of groundwater can be explained by dilution of trench soil water by uncontaminated water (rainwater or deep groundwater). With a plume extending further than that of (90)Sr, radionuclide which is impacted by retention and decay processes, (36)Cl can be considered as a suitable tracer of contamination from the trench in groundwater provided that modern release processes of (36)Cl from trench soil are better characterized. PMID:25128774

  8. Hydrogen energy.

    PubMed

    Edwards, P P; Kuznetsov, V L; David, W I F

    2007-04-15

    The problem of anthropogenically driven climate change and its inextricable link to our global society's present and future energy needs are arguably the greatest challenge facing our planet. Hydrogen is now widely regarded as one key element of a potential energy solution for the twenty-first century, capable of assisting in issues of environmental emissions, sustainability and energy security. Hydrogen has the potential to provide for energy in transportation, distributed heat and power generation and energy storage systems with little or no impact on the environment, both locally and globally. However, any transition from a carbon-based (fossil fuel) energy system to a hydrogen-based economy involves significant scientific, technological and socio-economic barriers. This brief report aims to outline the basis of the growing worldwide interest in hydrogen energy and examines some of the important issues relating to the future development of hydrogen as an energy vector. PMID:17272235

  9. The stability of sodalite in the system NaAlSiO sub 4 -NaCl

    SciTech Connect

    Sharp, Z.D. ); Helffrich, G.R. ); Bohlen, S.R. ); Essene, E.J. )

    1989-08-01

    The reaction sodalite = {beta}-nepheline + NaCl (s) was reversed in solid-medium apparatus and the reaction sodalite = carnegieite + NaCl (l) was reversed at 1 bar (1,649-1,652 K). The experimental reversals between 923 K and 973 K can be fit with a dP/dT of {minus}11 bar/K, suggesting that the excess entropy for sodalite is present only above 923 K. A phase diagram for the NaAlSiO{sub 4}-NaCl system that is consistent with the measured thermochemical data and the experiments between 973 and 1,650 K can be generated if the 61.7 J/mol{center dot}K entropy contribution is included in the S{sup 0}{sub 298} of sodalite. This entropy contribution must be removed below 973 K for the experiments to fit with calculations. Previously unreported thermodynamic data estimated in this study are {Delta}G{sup 0}{sub 298} for sodalite ({minus}12,697 kJ/mol) and carnegieite (NaAlSiO{sub 4}) ({minus}1,958 kJ/mol), S{sup 0}{sub 298} of carnegieite (129.6 J/mol{center dot}K) and compressibility of NaCl{sub liquid} (V{sup P}{sub 298} (cm{sup 3}) = 31.6{center dot}(1 - 24.7{center dot}10{sup {minus}3}{center dot}P + 800{center dot}10{sup {minus}6}{center dot}P{sup 2}))(T in K; P in kbar). Sodalite is a high-temperature, low-pressure phase, stable well above the solidus in sodic silica-undersaturated magmas enriched in NaCl, and its presence constrains NaCl activities in magmas. Estimates of minimum NaCl (l) activities in the Mont St-Hilaire sodalite syenites are 0.05 at 1,073 K and 0.13 at 1,273 K. Density calculations are consistent with the field observations that sodalite phenocrysts will float in a nepheline syenite liquid. This explains the enrichment of sodalite in the upper levels of the sodalite syenites at Mont St.Hilaire and elsewhere.

  10. Synthesis of palm-based polyurethane-LiClO{sub 4} via prepolymerization

    SciTech Connect

    Sien, Jason Wong Chee; Badri, Khairiah Haji; Su’ait, Mohd Sukor; Hassan, Nurul Izzati

    2015-09-25

    Palm-based polyurethane (pPU) with varying lithium salt (LiClO{sub 4}) content was synthesized. Higher loading percentage of LiClO{sub 4} in the pPU led to the inhibition of prepolymerization process from taking place. Hydrogen bonded C=O was detected in the FTIR spectrum indicating the hydrogen bonding between the urethane bonds. Ordered complexed C=O was observed in the FTIR spectrum confirming the complex formation between urethane bond and Li{sup +} ion. DSC thermogram showed the increase in the LiClO{sub 4} content could increase the glass transition temperature. SEM micrographs exhibited that more bubbles were formed when the LiClO{sub 4} increased from 10 to 30wt% indicating the reaction between free isocyanate groups with moisture presence in the salt due to the hygroscopic properties of LiClO{sub 4}.

  11. Synthesis of palm-based polyurethane-LiClO4 via prepolymerization

    NASA Astrophysics Data System (ADS)

    Sien, Jason Wong Chee; Badri, Khairiah Haji; Su'ait, Mohd. Sukor; Hassan, Nurul Izzati

    2015-09-01

    Palm-based polyurethane (pPU) with varying lithium salt (LiClO4) content was synthesized. Higher loading percentage of LiClO4 in the pPU led to the inhibition of prepolymerization process from taking place. Hydrogen bonded C=O was detected in the FTIR spectrum indicating the hydrogen bonding between the urethane bonds. Ordered complexed C=O was observed in the FTIR spectrum confirming the complex formation between urethane bond and Li+ ion. DSC thermogram showed the increase in the LiClO4 content could increase the glass transition temperature. SEM micrographs exhibited that more bubbles were formed when the LiClO4 increased from 10 to 30wt% indicating the reaction between free isocyanate groups with moisture presence in the salt due to the hygroscopic properties of LiClO4.

  12. Two-center three-electron bonding in ClNH3 revealed via helium droplet infrared laser Stark spectroscopy: Entrance channel complex along the Cl + NH3 → ClNH2 + H reaction

    NASA Astrophysics Data System (ADS)

    Moradi, Christopher P.; Xie, Changjian; Kaufmann, Matin; Guo, Hua; Douberly, Gary E.

    2016-04-01

    Pyrolytic dissociation of Cl2 is employed to dope helium droplets with single Cl atoms. Sequential addition of NH3 to Cl-doped droplets leads to the formation of a complex residing in the entry valley to the substitution reaction Cl + NH3 → ClNH2 + H. Infrared Stark spectroscopy in the NH stretching region reveals symmetric and antisymmetric vibrations of a C3v symmetric top. Frequency shifts from NH3 and dipole moment measurements are consistent with a ClNH3 complex containing a relatively strong two-center three-electron (2c-3e) bond. The nature of the 2c-3e bonding in ClNH3 is explored computationally and found to be consistent with the complexation-induced blue shifts observed experimentally. Computations of interconversion pathways reveal nearly barrierless routes to the formation of this complex, consistent with the absence in experimental spectra of two other complexes, NH3Cl and Cl-HNH2, which are predicted in the entry valley to the hydrogen abstraction reaction Cl + NH3 → HCl + NH2.

  13. Two-center three-electron bonding in ClNH3 revealed via helium droplet infrared laser Stark spectroscopy: Entrance channel complex along the Cl + NH3 → ClNH2 + H reaction.

    PubMed

    Moradi, Christopher P; Xie, Changjian; Kaufmann, Matin; Guo, Hua; Douberly, Gary E

    2016-04-28

    Pyrolytic dissociation of Cl2 is employed to dope helium droplets with single Cl atoms. Sequential addition of NH3 to Cl-doped droplets leads to the formation of a complex residing in the entry valley to the substitution reaction Cl + NH3 → ClNH2 + H. Infrared Stark spectroscopy in the NH stretching region reveals symmetric and antisymmetric vibrations of a C3v symmetric top. Frequency shifts from NH3 and dipole moment measurements are consistent with a ClNH3 complex containing a relatively strong two-center three-electron (2c-3e) bond. The nature of the 2c-3e bonding in ClNH3 is explored computationally and found to be consistent with the complexation-induced blue shifts observed experimentally. Computations of interconversion pathways reveal nearly barrierless routes to the formation of this complex, consistent with the absence in experimental spectra of two other complexes, NH3Cl and Cl-HNH2, which are predicted in the entry valley to the hydrogen abstraction reaction Cl + NH3 → HCl + NH2. PMID:27131544

  14. The Study On The Physical Properties Of CdS Quantum Dots Synthesized By Ligand Exchange in Cd{sup 2+}-thiol Aqueous Solutions

    SciTech Connect

    Ha, S. Y.; Yoo, D. S.; Kim, I. G.; Choo, M. S.; Kim, G. W.; Lee, E. S.; Lee, B. C.

    2011-12-23

    We synthesized CdS quantum dots in aqueous medium using three thiolate-ligands, 2-mercaptoethanol (2ME), 3-mercaptopropanoic acid (MPA) and dimercaprol (BAL) by ligand exchange method. With a fixed concentration of thiols, the absorption edge of the quantum dots formed shifted towards shorter wavelength, as to the decreasing of a concentration of CdCl{sub 2}. When a concentration of CdCl{sub 2} and thiol was same, band gap energies and average sizes of the quantum dots were shown to be 2.65 eV, 3.26 nm for MPA, 2.84 eV, 3.16 nm for 2 ME and 3.16 eV, 1.81 nm for BAL, respectively. PL spectra analysis shows that as the decrease in molar concentration of CdCl{sub 2}, emission peak shifted towards shorter wavelength.

  15. Reactivity of anthracene in liquid SbCl/sub 3/-AlCl/sub 3/-N-(1-butyl)pyridinium chloride mixtures

    SciTech Connect

    Zingg, S.P.; Buchanan, A.C.; Chapman, D.M.; Dworkin, A.S.; Smith, G.P.; Sorlie, M.

    1984-07-01

    Mixtures of SbCl/sub 3/ and N-(l-butyl)pyridinium chloride (BPCl) containing 75-87 m/o (mole percent) SbCl/sub 3/ and SbCl/sub 3/AlCl/sub 3/-BPCl mixtures containing 60 m/o SbCl/sub 3/ and 16-23 m/o AlCl/sub 3/ were found to be liquid at 25/sup 0/C. Dilute solutions of anthracene were stable in ternary mixtures containing 18 m/o AlCl/sub 3/, but in mixtures containing 22-24 m/o AlCl/sub 3/, anthracene reacted under the influence of the solvent, which behaved as both oxidant and H-transfer catalyst. The oxidized product was protonated anthracene, which was stable in this melt. The source of protons was provided by hydrogen liberating Scholl condensations combined with the reduction of Sb(III). A part of the hydrogen from Scholl reactions reacted with anthracene to form 9,10-dihydroanthracene. By contrast, a liquid mixture without SbCl/sub 3/, AlCl/sub 3/-BPCl (2:1 mole ratio) proved to be a much less active H-transfer catalyst than the SbCl/sub 3/-rich liquids even though it is a stronger Lewis acid, and it did not induce protonation beyond a trace attributable to protic impurities. The role of impurities in these mixtures was investigated with results that are relevant to earlier investigations of liquid AlCl/sub 3/-BPCl mixtures. An improved procedure for purifying BPCl is described.

  16. Effect of green laser irradiation on hydrogen production

    NASA Astrophysics Data System (ADS)

    Bidin, Noriah; Razak, Siti Noraiza A.; Radiana Azni, Siti; Nguroho, Waskito; Mohsin, Ali Kamel; Abdullah, Mundzir; Krishnan, Ganesan; Bakhtiar, Hazri

    2014-06-01

    The effect of green laser irradiation on hydrogen production via water electrolysis was investigated. Diode pumped solid-state laser operating in second harmonic generation was employed as a source of irradiation. The hydrogen production system was also irradiated by a conventional light, a halogen source, for comparison. The best catalyst was identified by mixing distilled water with two types of salt: NaCl and Na2SO4. Optimization of hydrogen production from water electrolysis was realized by using NaCl and green laser irradiation. The power of green laser irradiation and the concentration of NaCl in water contribute to hydrogen production. The hydrogen yield also depends on the distance and direction of the green beam to the electrode.

  17. Inhibition in Dot Comparison Tasks

    ERIC Educational Resources Information Center

    Clayton, Sarah; Gilmore, Camilla

    2015-01-01

    Dot comparison tasks are commonly used to index an individual's Approximate Number System (ANS) acuity, but the cognitive processes involved in completing these tasks are poorly understood. Here, we investigated how factors including numerosity ratio, set size and visual cues influence task performance. Forty-four children aged 7-9 years completed…

  18. Reading Comprehension Strategy: Rainbow Dots

    ERIC Educational Resources Information Center

    Moore, Claire; Lo, Lusa

    2008-01-01

    An action research study was conducted using the Rainbow Dots strategy to evaluate its effectiveness on reading comprehension skills in a third-grade class with students both with and without a specific learning disability. Results of the study indicated that students' overall performances in reading comprehension have increased. Students also…

  19. Designing quantum dots for solotronics

    PubMed Central

    Kobak, J.; Smoleński, T.; Goryca, M.; Papaj, M.; Gietka, K.; Bogucki, A.; Koperski, M.; Rousset, J.-G.; Suffczyński, J.; Janik, E.; Nawrocki, M.; Golnik, A.; Kossacki, P.; Pacuski, W.

    2014-01-01

    Solotronics, optoelectronics based on solitary dopants, is an emerging field of research and technology reaching the ultimate limit of miniaturization. It aims at exploiting quantum properties of individual ions or defects embedded in a semiconductor matrix. It has already been shown that optical control of a magnetic ion spin is feasible using the carriers confined in a quantum dot. However, a serious obstacle was the quenching of the exciton luminescence by magnetic impurities. Here we show, by photoluminescence studies on thus-far-unexplored individual CdTe dots with a single cobalt ion and CdSe dots with a single manganese ion, that even if energetically allowed, nonradiative exciton recombination through single-magnetic-ion intra-ionic transitions is negligible in such zero-dimensional structures. This opens solotronics for a wide range of as yet unconsidered systems. On the basis of results of our single-spin relaxation experiments and on the material trends, we identify optimal magnetic-ion quantum dot systems for implementation of a single-ion-based spin memory. PMID:24463946

  20. Improved triplet state parameters for indium octacarboxy phthalocyanines when conjugated to quantum dots and magnetite nanoparticles

    NASA Astrophysics Data System (ADS)

    Tshangana, Charmaine; Nyokong, Tebello

    2015-06-01

    Fe3O4 magnetic nanoparticles (MNPs) and glutathione (GSH) capped CdSe@ZnS quantum dots (QDs) were separately coordinated to indium octacarboxy phthalocyanine (InPc(COOH)8) to form ClInPc(COOH)8-MNPs and ClInPc(COOH)8-GSH-CdSe@ZnS, respectively. The photophysical parameters (triplet state and fluorescence quantum yields and lifetimes) were determined for the conjugates. The triplet quantum yields increased from ΦT = 0.49 for InPc(COOH)8 alone to ΦT = 0.61 and 0.56 for InPc(COOH)8 in the conjugates: ClInPc(COOH)8-MNPs and ClInPc(COOH)8-GSH-CdSe@ZnS, respectively. The lifetimes also became longer for the conjugates compared to Pc alone.

  1. 75 FR 6862 - Airworthiness Directives; Bombardier, Inc. Model CL-600-1A11 (CL-600), CL-600-2A12 (CL-601), CL...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-02-12

    ... Policies and Procedures (44 FR 11034, February 26, 1979); and 3. Will not have a significant economic...), and (c)(3) of this AD. (1) Model CL-600-1A11 (CL-600) airplanes, serial numbers 1004 through...

  2. Systematic safety evaluation on photoluminescent carbon dots

    PubMed Central

    2013-01-01

    Photoluminescent carbon dots (C-dots) were prepared using the improved nitric acid oxidation method. The C-dots were characterized by tapping-mode atomic force microscopy, and UV–vis absorption spectroscopy. The C-dots were subjected to systematic safety evaluation via acute toxicity, subacute toxicity, and genotoxicity experiments (including mouse bone marrow micronuclear test and Salmonella typhimurium mutagenicity test). The results showed that the C-dots were successfully prepared with good stability, high dispersibility, and water solubility. At all studied C-dot dosages, no significant toxic effect, i.e., no abnormality or lesion, was observed in the organs of the animals. Therefore, the C-dots are non-toxic to mice under any dose and have potential use in fluorescence imaging in vivo, tumor cell tracking, and others. PMID:23497260

  3. Systematic safety evaluation on photoluminescent carbon dots

    NASA Astrophysics Data System (ADS)

    Wang, Kan; Gao, Zhongcai; Gao, Guo; Wo, Yan; Wang, Yuxia; Shen, Guangxia; Cui, Daxiang

    2013-03-01

    Photoluminescent carbon dots (C-dots) were prepared using the improved nitric acid oxidation method. The C-dots were characterized by tapping-mode atomic force microscopy, and UV-vis absorption spectroscopy. The C-dots were subjected to systematic safety evaluation via acute toxicity, subacute toxicity, and genotoxicity experiments (including mouse bone marrow micronuclear test and Salmonella typhimurium mutagenicity test). The results showed that the C-dots were successfully prepared with good stability, high dispersibility, and water solubility. At all studied C-dot dosages, no significant toxic effect, i.e., no abnormality or lesion, was observed in the organs of the animals. Therefore, the C-dots are non-toxic to mice under any dose and have potential use in fluorescence imaging in vivo, tumor cell tracking, and others.

  4. Dot-ELISA in diagnosis of schistosomiasis.

    PubMed

    Madwar, M A; Hassan, M M

    1989-12-01

    One microliter of S. mansoni egg antigen was dotted directly on the nitrocellulose paper sheet acting as the adsorbent surface (9 dots/paper). The sera of 25 Egyptian patients and 15 healthy persons (2 microliters of each) were dotted over the antigen dots, then 2 ml of each of the blocking, washing, HRP-conjugated IgG and DAB adding procedures, were added over the nitrocellulose paper in the petri-dish at room temperature. An intact brown circle (by naked-eye) indicates a positive in Dot-ELISA. There is an insignificant dot colour intensities in different clinical stages of S. mansoni infected Egyptians whereas, a direct relation was obtained between egg count and the colour intensity of the dots. The test had 100% sensitivity and 86% specificity thus it appears to be useful for both laboratory and field studies. PMID:2794577

  5. Modeling of the quantum dot filling and the dark current of quantum dot infrared photodetectors

    SciTech Connect

    Ameen, Tarek A.; El-Batawy, Yasser M.; Abouelsaood, A. A.

    2014-02-14

    A generalized drift-diffusion model for the calculation of both the quantum dot filling profile and the dark current of quantum dot infrared photodetectors is proposed. The confined electrons inside the quantum dots produce a space-charge potential barrier between the two contacts, which controls the quantum dot filling and limits the dark current in the device. The results of the model reasonably agree with a published experimental work. It is found that increasing either the doping level or the temperature results in an exponential increase of the dark current. The quantum dot filling turns out to be nonuniform, with a dot near the contacts containing more electrons than one in the middle of the device where the dot occupation approximately equals the number of doping atoms per dot, which means that quantum dots away from contacts will be nearly unoccupied if the active region is undoped.

  6. Short term inhalation toxicity of a liquid aerosol of glutaraldehyde-coated CdS/Cd(OH)2 core shell quantum dots in rats.

    PubMed

    Ma-Hock, L; Farias, P M A; Hofmann, T; Andrade, A C D S; Silva, J N; Arnaud, T M S; Wohlleben, W; Strauss, V; Treumann, S; Chaves, C R; Gröters, S; Landsiedel, R; van Ravenzwaay, B

    2014-02-10

    Quantum dots exhibit extraordinary optical and mechanical properties, and the number of their applications is increasing. In order to investigate a possible effect of coating on the inhalation toxicity of previously tested non-coated CdS/Cd(OH)2 quantum dots and translocation of these very small particles from the lungs, rats were exposed to coated quantum dots or CdCl2 aerosol (since Cd(2+) was present as impurity), 6h/d for 5 consecutive days. Cd content was determined in organs and excreta after the end of exposure and three weeks thereafter. Toxicity was determined by examination of broncho-alveolar lavage fluid and microscopic evaluation of the entire respiratory tract. There was no evidence for translocation of particles from the respiratory tract. Evidence of a minimal inflammatory process was observed by examination of broncho-alveolar lavage fluid. Microscopically, minimal to mild epithelial alteration was seen in the larynx. The effects observed with coated quantum dots, non-coated quantum dots and CdCl2 were comparable, indicating that quantum dots elicited no significant effects beyond the toxicity of the Cd(2+) ion itself. Compared to other compounds with larger particle size tested at similarly low concentrations, quantum dots caused much less pronounced toxicological effects. Therefore, the present data show that small particle sizes with corresponding high surfaces are not the only factor triggering the toxic response or translocation. PMID:24296008

  7. Physical and optical dot gain: characterization and relation to dot shape and paper properties

    NASA Astrophysics Data System (ADS)

    Namedanian, Mahziar; Nyström, Daniel; Zitinski Elias, Paula; Gooran, Sasan

    2014-01-01

    The tone value increase in halftone printing commonly referred to as dot gain actually encompasses two fundamentally different phenomena. Physical dot gain refers to the fact that the size of the printed halftone dots differs from their nominal size, and is related to the printing process. Optical dot gain originates from light scattering inside the substrate, causing light exchanges between different chromatic areas. Due to their different intrinsic nature, physical and optical dot gains need to be treated separately. In this study, we characterize and compare the dot gain properties for offset prints on coated and uncoated paper, using AM and first and second generation FM halftoning. Spectral measurements are used to compute the total dot gain. Microscopic images are used to separate the physical and optical dot gain, to study ink spreading and ink penetration, and to compute the Modulation Transfer Function (MTF) for the different substrates. The experimental results show that the physical dot gain depends on ink penetration and ink spreading properties. Microscopic images of the prints reveal that the ink penetrates into the pores and cavities of the uncoated paper, resulting in inhomogeneous dot shapes. For the coated paper, the ink spread on top of the surface, giving a more homogenous dot shape, but also covering a larger area, and hence larger physical dot gain. The experimental results further show that the total dot gain is larger for the uncoated paper, because of larger optical dot gain. The effect of optical dot gain depends on the lateral light scattering within the substrate, the size of the halftone dots, and on the halftone dot shape, especially the dot perimeter.

  8. Color-switchable, emission-enhanced fluorescence realized by engineering C-dot@C-dot nanoparticles.

    PubMed

    Guo, Zhen; Zhang, Zhiqiang; Zhang, Wei; Zhou, Lianqun; Li, Haiwen; Wang, Hongmei; Andreazza-Vignolle, Caroline; Andreazza, Pascal; Zhao, Dongxu; Wu, Yihui; Wang, Quanlong; Zhang, Tao; Jiang, Keming

    2014-12-10

    This paper reports the preparation and properties of color-switchable fluorescent carbon nanodots (C-dots). C-dots that emit dark turquoise and green-yellow fluorescence under 365 nm UV illumination were obtained from the hydrothermal decomposition of citric acid. Dark green fluorescent C-dots were obtained by conjugating prepared C-dots to form C-dot@C-dot nanoparticles. After successful conjugation of the C-dots, the fluorescence emission undergoes a blue-shift of nearly 20 nm (∼0.15 eV) under UV excitation at 370 nm. The C-dots emit goldenrod, green-yellow, and gold light under excitation at 455 nm, which shows that the prepared C-dots are color-switchable. Furthermore, conjugation of the C-dots results in enhanced, red-shifted absorption of the π-π* transition of the aromatic sp(2) domains due to the conjugated π-electron system. N incorporation in the carbon structure leads to a degree of dipoles for all the aromatic sp(2) bonds. The enhanced absorption in a wide range from 226 to 601 nm indicates extended conjugation in the C-dot@C-dot structure. The time-resolved average lifetimes for the three different types of C-dots prepared in this study are 7.10, 7.65, and 4.07 ns. The radiative rate (reduced decay lifetime) increases when the C-dots are conjugated in the C-dot@C-dot nanoparticles, leading to the enhanced fluorescence emission. The fluorescence emission of the C-dot@C-dot nanoparticles can be used in applications such as flow cytometry and cell imaging. PMID:25408428

  9. Energy spectrum of D{sup 0} centre in a spherical Gaussian quantum dot

    SciTech Connect

    Boda, Aalu Chatterjee, Ashok

    2015-05-15

    The properties of a neutral hydrogenic donor (D{sup 0}) centres have been studied for a GaAs semiconductor quantum dot with the Gaussian confinement potential. The energy levels of the ground state (n = 1) and the excited states of both the first excited (n = 2) and second excited (n = 3) configurations have been calculated by variational method. It has been shown that the excited states of the (D{sup 0}) centre in quantum dot are bound for sufficiently strong confinement potential. The conditions of binding for the ground state as well as excited states have been determined as functions of the potential strength and quantum dot radius. The ground state electron energy is compared with those available in the literature.

  10. Hydrogen Effect against Hydrogen Embrittlement

    NASA Astrophysics Data System (ADS)

    Murakami, Yukitaka; Kanezaki, Toshihiko; Mine, Yoji

    2010-10-01

    The well-known term “hydrogen embrittlement” (HE) expresses undesirable effects due to hydrogen such as loss of ductility, decreased fracture toughness, and degradation of fatigue properties of metals. However, this article shows, surprisingly, that hydrogen can have an effect against HE. A dramatic phenomenon was found in which charging a supersaturated level of hydrogen into specimens of austenitic stainless steels of types 304 and 316L drastically improved the fatigue crack growth resistance, rather than accelerating fatigue crack growth rates. Although this mysterious phenomenon has not previously been observed in the history of HE research, its mechanism can be understood as an interaction between hydrogen and dislocations. Hydrogen can play two roles in terms of dislocation mobility: pinning (or dragging) and enhancement of mobility. Competition between these two roles determines whether the resulting phenomenon is damaging or, unexpectedly, desirable. This finding will, not only be the crucial key factor to elucidate the mechanism of HE, but also be a trigger to review all existing theories on HE in which hydrogen is regarded as a dangerous culprit.

  11. Hydrogenation of organic solid wastes

    SciTech Connect

    Wu, W.R.K.; Kawa, W.

    1980-02-01

    Eight organic solid wastes, six cellulosic and two noncellulosic, were hydrogenated batchwise with and without a catalyst. Conversions obtained range from 64 to 98 % of moisture- and ash-free (maf) raw material; oil yields, 10 to 59 %; and gaseous hydrocarbon yields, 7 to 16 %. Based on batch hydrogenation results, the oil production from large-scale hydrogenation of the wastes is projected to be 1.6 to 3.5 bbl/ton of maf raw material; the gaseous-hydrocarbon production, 2000 to 4100 standard cubic feet (scf). Activities of the two catalysts (SnCl/sub 2// and a combination of Fe/sub 2/O/sub 3/ and H/sub 2/S) used in the hydrogenation of the wastes are discussed. Also discussed are the chemical reactions and mechanisms involved in the hydrogenation, potential market for the product oil, and possible improvement of the oil yield. Elemental compositions of the hydrogenation oils and types of hydrocarbons including oxygenated hydrocarbons found in the oils are presented. The energy equivalent of the organic solid wastes generated in the United States in 1973 is shown to be 27 % of the nation's total 1972 energy production.

  12. Registration of 'Clara CL' Wheat

    Technology Transfer Automated Retrieval System (TEKTRAN)

    ‘Clara CL’ hard white winter wheat (Triticum aestivum L.) was developed at the Agricultural Research Center-Hays, Kansas State University and released by the Kansas Agricultural Experiment Station in 2011. Clara CL carries one Clearfield gene and has the tolerance to imazamox herbicide. Clara CL wa...

  13. Microwave Spectra and Structures of H_2O-AgCl and H_3N-AgCl.

    NASA Astrophysics Data System (ADS)

    Walker, N. R.; Mikhailov, V. A.; Harris, S. J.; Roberts, F. J.; Legon, A. C.

    2010-06-01

    A Balle-Flygare FT-MW spectrometer coupled to a laser ablation source has been used to measure the pure rotational spectra of H2O-AgCl and H3N-AgCl. Both molecules are generated via laser ablation (532 nm) of a metal rod in the presence of CCl4, argon, a low partial pressure of H2O or NH3 and are stabilized by supersonic expansion. Rotational constants and centrifugal distortion constants have been measured for eight isotopologues of H2O-AgCl with substitutions at the silver, chlorine, oxygen and hydrogen atoms. B0 and C0 have been independently determined for six isotopologues and the spectra are consistent with a linear arrangement of oxygen, silver and chlorine atoms. The structure is either C2v planar at equilibrium or CS pyramidal but with a low potential-energy barrier to planarity such that the v=0 and 1 states associated with the motion that inverts the configuration at the O atom are well separated. Preliminary data from a study of H3N-AgCl will also be presented. Several transitions have been observed and tentatively assigned to hyperfine components of the 202-101, 303-202 and 404-303 transitions of H3N-107Ag35Cl and H3N-109Ag35Cl. These data are consistent with a C3v structure.

  14. Low temperature synthesis of silicon quantum dots with plasma chemistry control in dual frequency non-thermal plasmas.

    PubMed

    Sahu, Bibhuti Bhusan; Yin, Yongyi; Han, Jeon Geon; Shiratani, Masaharu

    2016-06-21

    The advanced materials process by non-thermal plasmas with a high plasma density allows the synthesis of small-to-big sized Si quantum dots by combining low-temperature deposition with superior crystalline quality in the background of an amorphous hydrogenated silicon nitride matrix. Here, we make quantum dot thin films in a reactive mixture of ammonia/silane/hydrogen utilizing dual-frequency capacitively coupled plasmas with high atomic hydrogen and nitrogen radical densities. Systematic data analysis using different film and plasma characterization tools reveals that the quantum dots with different sizes exhibit size dependent film properties, which are sensitively dependent on plasma characteristics. These films exhibit intense photoluminescence in the visible range with violet to orange colors and with narrow to broad widths (∼0.3-0.9 eV). The observed luminescence behavior can come from the quantum confinement effect, quasi-direct band-to-band recombination, and variation of atomic hydrogen and nitrogen radicals in the film growth network. The high luminescence yields in the visible range of the spectrum and size-tunable low-temperature synthesis with plasma and radical control make these quantum dot films good candidates for light emitting applications. PMID:27226277

  15. Fluctuating defect density probed with noise spectroscopy in hydrogenated amorphous silicon

    SciTech Connect

    Verleg, P.A.W.E.; Uca, O.; Dijkhuis, J.I.

    1997-07-01

    Resistance fluctuations have been studied in hydrogenated amorphous silicon in the temperature range between 300 K and 450 K. The primary noise source has a power spectrum of approximately 1/f and is ascribed to hydrogen motion. Hopping of weakly bound hydrogen is thermally activated at such low temperatures with an average activation energy of 0.85 eV. The attempt rate amounts to 7 {center_dot} 10{sup 12} s{sup {minus}1}.

  16. Hydrogen from renewable resources monthly progress report

    SciTech Connect

    Rocheleau, R.E.

    1995-02-01

    During February, we achieved two significant results in our hydrogen storage activates. Reversible hydrogen uptake and release was measured at room temperature, near ambient pressure on the (IrClH{sub 2}(H{sub 2})Pr{sup i}{sub 3}) complex. Dr. Jensen also observed that certain polyhydzide complexes catalyze the low temperature, reversible dehydrogenation of cycloalkanes to aromatic hydrocarbons at temperatures as low as 130{degrees}C. This discovery may represent a breakthrough in chemical storage of hydrogen as all other cycloalkane dehydrogenation systems require temperatures in excess of 300{degrees}C.

  17. Graphene based dots and antidots: a comparative study from first principles.

    PubMed

    Cui, X Y; Li, L; Zheng, R K; Liu, Z W; Stampfl, C; Ringer, S P

    2013-02-01

    Graphene based quantum dots and antidots are two nanostructures of primary importance for their fundamental physics and technological applications, particularly in the emerging field of graphene-based nanoelectronics and nanospintronics. Herein, based on first principles density functional theory calculations, we report a comparative study on the electronic structure of these two structurally complementary entities, where the bandgap opening, edge magnetism and the role of hydrogenation are investigated. Our results show the diversity of electronic structures of various dots and antidots, whose properties are sensitive to the edge detailed geometry (including size and shape and edge type). Hydrogen passivation plays an essential roal in affecting the related properties, in particular, it leads to larger bandgap values and suppress the edge magnetism. The frontier orbital analysis is employed to rationalize and compare the complicated nature of dots and antidots. Based on the specific geometrical consideration and the total energy competition of the ground antiferromagnetic and the ferromagnetic states, some magnetic structures (the unpassivated 42-atom-antidot and 54-atom-dot) are proposed to be useful as magnetic switches. PMID:23646613

  18. Experimental and theoretical studies of the reactions of chlorine atoms with 1,2-dichloroethane and 1,2-dichloroethane-d4 in the gas phase. The kinetics of hydrogen atom abstraction from the -CH2Cl group in chloroethane and 1,2-dichloroethane

    NASA Astrophysics Data System (ADS)

    Sarzyński, Dariusz S.; Fojcik, Łukasz; Gola, Agnieszka A.; Berkowski, Ryszard; Jodkowski, Jerzy T.; Latajka, Zdzisław

    2014-03-01

    The rate constant for H-abstraction (kH) from CH2ClCH2Cl and D-abstraction (kD) from CD2ClCD2Cl by chlorine atoms is described by the expressions: kH = (1.99 ± 0.12) × 10-11 exp(-777 ± 23/T) cm3 molecule-1 s-1 and kD = (1.73 ± 0.12) × 10-11 exp(-1148 ± 16/T) cm3 molecule-1 s-1. The experiment revealed significant differences in the values of the rate constants for the abstraction of H-atom from the -CH2Cl group in chloroethane and 1,2-dichloroethane. The explanation of these differences was the subject of theoretical studies. The calculated potential energy barriers for the abstraction reaction confirmed the experimental results.

  19. Dot-in-Well Quantum-Dot Infrared Photodetectors

    NASA Technical Reports Server (NTRS)

    Gunapala, Sarath; Bandara, Sumith; Ting, David; Hill, cory; Liu, John; Mumolo, Jason; Chang, Yia Chung

    2008-01-01

    Dot-in-well (DWELL) quantum-dot infrared photodetectors (QDIPs) [DWELL-QDIPs] are subjects of research as potentially superior alternatives to prior QDIPs. Heretofore, there has not existed a reliable method for fabricating quantum dots (QDs) having precise, repeatable dimensions. This lack has constituted an obstacle to the development of uniform, high-performance, wavelength-tailorable QDIPs and of focal-plane arrays (FPAs) of such QDIPs. However, techniques for fabricating quantum-well infrared photodetectors (QWIPs) having multiple-quantum- well (MQW) structures are now well established. In the present research on DWELL-QDIPs, the arts of fabrication of QDs and QWIPs are combined with a view toward overcoming the deficiencies of prior QDIPs. The longer-term goal is to develop focal-plane arrays of radiationhard, highly uniform arrays of QDIPs that would exhibit high performance at wavelengths from 8 to 15 m when operated at temperatures between 150 and 200 K. Increasing quantum efficiency is the key to the development of competitive QDIP-based FPAs. Quantum efficiency can be increased by increasing the density of QDs and by enhancing infrared absorption in QD-containing material. QDIPs demonstrated thus far have consisted, variously, of InAs islands on GaAs or InAs islands in InGaAs/GaAs wells. These QDIPs have exhibited low quantum efficiencies because the numbers of QD layers (and, hence, the areal densities of QDs) have been small typically five layers in each QDIP. The number of QD layers in such a device must be thus limited to prevent the aggregation of strain in the InAs/InGaAs/GaAs non-lattice- matched material system. The approach being followed in the DWELL-QDIP research is to embed In- GaAs QDs in GaAs/AlGaAs multi-quantum- well (MQW) structures (see figure). This material system can accommodate a large number of QD layers without excessive lattice-mismatch strain and the associated degradation of photodetection properties. Hence, this material

  20. Brightness-equalized quantum dots

    NASA Astrophysics Data System (ADS)

    Lim, Sung Jun; Zahid, Mohammad U.; Le, Phuong; Ma, Liang; Entenberg, David; Harney, Allison S.; Condeelis, John; Smith, Andrew M.

    2015-10-01

    As molecular labels for cells and tissues, fluorescent probes have shaped our understanding of biological structures and processes. However, their capacity for quantitative analysis is limited because photon emission rates from multicolour fluorophores are dissimilar, unstable and often unpredictable, which obscures correlations between measured fluorescence and molecular concentration. Here we introduce a new class of light-emitting quantum dots with tunable and equalized fluorescence brightness across a broad range of colours. The key feature is independent tunability of emission wavelength, extinction coefficient and quantum yield through distinct structural domains in the nanocrystal. Precise tuning eliminates a 100-fold red-to-green brightness mismatch of size-tuned quantum dots at the ensemble and single-particle levels, which substantially improves quantitative imaging accuracy in biological tissue. We anticipate that these materials engineering principles will vastly expand the optical engineering landscape of fluorescent probes, facilitate quantitative multicolour imaging in living tissue and improve colour tuning in light-emitting devices.

  1. Quantitative multiplexed quantum dot immunohistochemistry

    SciTech Connect

    Sweeney, E.; Ward, T.H.; Gray, N.; Womack, C.; Jayson, G.; Hughes, A.; Dive, C.; Byers, R.

    2008-09-19

    Quantum dots are photostable fluorescent semiconductor nanocrystals possessing wide excitation and bright narrow, symmetrical, emission spectra. These characteristics have engendered considerable interest in their application in multiplex immunohistochemistry for biomarker quantification and co-localisation in clinical samples. Robust quantitation allows biomarker validation, and there is growing need for multiplex staining due to limited quantity of clinical samples. Most reported multiplexed quantum dot staining used sequential methods that are laborious and impractical in a high-throughput setting. Problems associated with sequential multiplex staining have been investigated and a method developed using QDs conjugated to biotinylated primary antibodies, enabling simultaneous multiplex staining with three antibodies. CD34, Cytokeratin 18 and cleaved Caspase 3 were triplexed in tonsillar tissue using an 8 h protocol, each localised to separate cellular compartments. This demonstrates utility of the method for biomarker measurement enabling rapid measurement of multiple co-localised biomarkers on single paraffin tissue sections, of importance for clinical trial studies.

  2. Brightness-equalized quantum dots

    PubMed Central

    Lim, Sung Jun; Zahid, Mohammad U.; Le, Phuong; Ma, Liang; Entenberg, David; Harney, Allison S.; Condeelis, John; Smith, Andrew M.

    2015-01-01

    As molecular labels for cells and tissues, fluorescent probes have shaped our understanding of biological structures and processes. However, their capacity for quantitative analysis is limited because photon emission rates from multicolour fluorophores are dissimilar, unstable and often unpredictable, which obscures correlations between measured fluorescence and molecular concentration. Here we introduce a new class of light-emitting quantum dots with tunable and equalized fluorescence brightness across a broad range of colours. The key feature is independent tunability of emission wavelength, extinction coefficient and quantum yield through distinct structural domains in the nanocrystal. Precise tuning eliminates a 100-fold red-to-green brightness mismatch of size-tuned quantum dots at the ensemble and single-particle levels, which substantially improves quantitative imaging accuracy in biological tissue. We anticipate that these materials engineering principles will vastly expand the optical engineering landscape of fluorescent probes, facilitate quantitative multicolour imaging in living tissue and improve colour tuning in light-emitting devices. PMID:26437175

  3. Quantum Dot Light Emitting Diode

    SciTech Connect

    Keith Kahen

    2008-07-31

    The project objective is to create low cost coatable inorganic light emitting diodes, composed of quantum dot emitters and inorganic nanoparticles, which have the potential for efficiencies equivalent to that of LEDs and OLEDs and lifetime, brightness, and environmental stability between that of LEDs and OLEDs. At the end of the project the Recipient shall gain an understanding of the device physics and properties of Quantum-Dot LEDs (QD-LEDs), have reliable and accurate nanocrystal synthesis routines, and have formed green-yellow emitting QD-LEDs with a device efficiency greater than 3 lumens/W, a brightness greater than 400 cd/m2, and a device operational lifetime of more than 1000 hours. Thus the aim of the project is to break the current cost-efficiency paradigm by creating novel low cost inorganic LEDs composed of inorganic nanoparticles.

  4. Quantum Dot Light Emitting Diode

    SciTech Connect

    Kahen, Keith

    2008-07-31

    The project objective is to create low cost coatable inorganic light emitting diodes, composed of quantum dot emitters and inorganic nanoparticles, which have the potential for efficiencies equivalent to that of LEDs and OLEDs and lifetime, brightness, and environmental stability between that of LEDs and OLEDs. At the end of the project the Recipient shall gain an understanding of the device physics and properties of Quantum-Dot LEDs (QD-LEDs), have reliable and accurate nanocrystal synthesis routines, and have formed green-yellow emitting QD-LEDs with a device efficiency greater than 3 lumens/W, a brightness greater than 400 cd/m{sup 2}, and a device operational lifetime of more than 1000 hours. Thus the aim of the project is to break the current cost-efficiency paradigm by creating novel low cost inorganic LEDs composed of inorganic nanoparticles.

  5. Enhanced chemiluminescence of CdTe quantum dots-H2O2 by horseradish peroxidase-mimicking DNAzyme

    NASA Astrophysics Data System (ADS)

    Zhang, Junli; Li, Baoxin

    In this study, it was found that horseradish peroxidase (HRP)-mimicking DNAzyme could effectively enhance the CL emission of CdTe quantum dots (QDs)-H2O2 system, whereas HRP could not enhance the CL intensity. The CL enhancement mechanism was investigated, and the CL enhancement was supposed to originate from the catalysis of HRP-mimicking DNAzyme on the CL reaction between CdTe QDs and H2O2. Meantime, compared with CdTe QDs-H2O2 CL system, H2O2 concentration was markedly decreased in QDs-H2O2-HRP-mimicking DNAzyme CL system, improving the stability of QDs-H2O2 CL system. The QDs-based CL system was used to detect sensitively CdTe QDs and HRP-mimicking DNAzyme (as biologic labels). This work gives a path for enhancing CL efficiency of QDs system, and will be helpful to promote the step of QDs application in various fields such as bioassay and trace detection of analyte.

  6. Enhanced chemiluminescence of CdTe quantum dots-H₂O₂ by horseradish peroxidase-mimicking DNAzyme.

    PubMed

    Zhang, Junli; Li, Baoxin

    2014-05-01

    In this study, it was found that horseradish peroxidase (HRP)-mimicking DNAzyme could effectively enhance the CL emission of CdTe quantum dots (QDs)-H2O2 system, whereas HRP could not enhance the CL intensity. The CL enhancement mechanism was investigated, and the CL enhancement was supposed to originate from the catalysis of HRP-mimicking DNAzyme on the CL reaction between CdTe QDs and H2O2. Meantime, compared with CdTe QDs-H2O2 CL system, H2O2 concentration was markedly decreased in QDs-H2O2-HRP-mimicking DNAzyme CL system, improving the stability of QDs-H2O2 CL system. The QDs-based CL system was used to detect sensitively CdTe QDs and HRP-mimicking DNAzyme (as biologic labels). This work gives a path for enhancing CL efficiency of QDs system, and will be helpful to promote the step of QDs application in various fields such as bioassay and trace detection of analyte. PMID:24556131

  7. Storing Hydrogen

    SciTech Connect

    Kim, Hyun Jeong; Karkamkar, Abhijeet J.; Autrey, Thomas; Chupas, Peter; Proffen, Thomas E.

    2010-05-31

    Researchers have been studying mesoporous materials for almost two decades with a view to using them as hosts for small molecules and scaffolds for molding organic compounds into new hybrid materials and nanoparticles. Their use as potential storage systems for large quantities of hydrogen has also been mooted. Such systems that might hold large quantities of hydrogen safely and in a very compact volume would have enormous potential for powering fuel cell vehicles, for instance. A sponge-like form of silicon dioxide, the stuff of sand particles and computer chips, can soak up and store other compounds including hydrogen. Studies carried out at the XOR/BESSRC 11-ID-B beamline at the APS have revealed that the nanoscopic properties of the hydrogenrich compound ammonia borane help it store hydrogen more efficiently than usual. The material may have potential for addressing the storage issues associated with a future hydrogen economy. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  8. A quantum dot in topological insulator nanofilm.

    PubMed

    Herath, Thakshila M; Hewageegana, Prabath; Apalkov, Vadym

    2014-03-19

    We introduce a quantum dot in topological insulator nanofilm as a bump at the surface of the nanofilm. Such a quantum dot can localize an electron if the size of the dot is large enough, ≳5 nm. The quantum dot in topological insulator nanofilm has states of two types, which belong to two ('conduction' and 'valence') bands of the topological insulator nanofilm. We study the energy spectra of such defined quantum dots. We also consider intraband and interband optical transitions within the dot. The optical transitions of the two types have the same selection rules. While the interband absorption spectra have multi-peak structure, each of the intraband spectra has one strong peak and a few weak high frequency satellites. PMID:24590177

  9. Triple quantum dots as charge rectifiers.

    PubMed

    Busl, M; Platero, G

    2012-04-18

    We theoretically analyze electronic spin transport through a triple quantum dot in series, attached to electrical contacts, where the drain contact is coupled to the central dot. We show that current rectification is observed in the device due to current blockade. The current blocking mechanism is originated by a destructive interference of the electronic wavefunction at the drain dot. There, the electrons are coherently trapped in a singlet two-electron dark state, which is a coherent superposition of the electronic wavefunction in the source dot and in the dot isolated from the contacts. Its formation gives rise to zero current and current rectification as the voltage is swept. We analyze this behavior analytically and numerically for both zero and finite magnetic dc fields. On top of that, we include phenomenologically a finite spin relaxation rate and calculate the current numerically. Our results show that triple dots in series can be designed to behave as quantum charge rectifiers. PMID:22442135

  10. An electrochemical hydrogen meter for measuring hydrogen in sodium using a ternary electrolyte mixture

    NASA Astrophysics Data System (ADS)

    Sridharan, R.; Mahendran, K. H.; Nagaraj, S.; Gnanasekaran, T.; Periaswami, G.

    2003-01-01

    An electrochemical sensor for measuring hydrogen concentration in liquid sodium that is based on a ternary mixture of LiCl, CaCl 2 and CaHCl as the electrolyte has been developed. DSC experiments showed the eutectic temperature of this ternary system to be ˜725 K. Impedance spectroscopic analysis of the electrolyte indicated ionic conduction through a molten phase at ˜725 K. Two electrochemical hydrogen sensors were constructed using the ternary electrolyte of composition 70 mol% LiCl:16 mol% CaHCl:14 mol% CaCl 2 and tested at 723 K in a mini sodium loop and at hydrogen levels of 60-250 ppb in sodium. The sensors show linear response in this concentration range and are capable of detecting a change of 10 ppb hydrogen in sodium over a background level of 60 ppb. Identification of this electrolyte system and its use in a sensor for measuring hydrogen in sodium are described in this paper.

  11. Analytical investigation of AlCl[3]/SO[2]Cl[2] catholyte materials for secondary fuze reserve batteries.

    SciTech Connect

    Butler, Paul Charles; Rodriguez, Mark Andrew; Segall, Judith M.; Malizia, Louis A., Jr.; Cherry, Brian Ray; Andrews, Nicholas L.; Clark, Nancy H.; Alam, Todd Michael; Ingersoll, David T.; Tallant, David Robert; Simpson, Regina Lynn; Boyle, Timothy J.; Garcia, Manuel Joseph

    2004-05-01

    Exploration of the fundamental chemical behavior of the AlCl{sub 3}/SO{sub 2}Cl{sub 2} catholyte system for the ARDEC Self-Destruct Fuze Reserve Battery Project under accelerated aging conditions was completed using a variety of analytical tools. Four different molecular species were identified in this solution, three of which are major. The relative concentrations of the molecular species formed were found to depend on aging time, initial concentrations, and storage temperature, with each variable affecting the kinetics and thermodynamics of this complex reaction system. We also evaluated the effect of water on the system, and determined that it does not play a role in dictating the observed molecular species present in solution. The first Al-containing species formed was identified as the dimer [Al({mu}-Cl)Cl{sub 2}]{sub 2}, and was found to be in equilibrium with the monomer, AlCl{sub 3}. The second species formed in the reaction scheme was identified by single crystal X-ray diffraction studies as [Cl{sub 2}Al({mu}-O{sub 2}SCl)]{sub 2} (I), a scrambled AlCl{sub 3}{center_dot}SO{sub 2} adduct. The SO{sub 2}(g) present, as well as CL{sub 2}(g), was formed through decomposition of SO{sub 2}CL{sub 2}. The SO{sub 2}(g) generated was readily consumed by AlCl{sub 3} to form the adduct 1 which was experimentally verified when 1 was also isolated from the reaction of SO{sub 2}(g) and AlCl {sub 3}. The third species found was tentatively identified as a compound having the general formula {l_brace}[Al(O)Cl{sub 2}][OSCl{sub 2}]{r_brace}{sub n}. This was based on {sup 27}Al NMR data that revealed a species with tetrahedrally coordinated Al metal centers with increased oxygen coordination and the fact that the precipitate, or gel, that forms over time was shown by Raman spectroscopic studies to possess a component that is consistent with SOCl{sub 2}. The precursor to the precipitate should have similar constituents, thus the assignment of {l_brace}[Al(O)Cl{sub 2}][OSCl{sub 2

  12. Hydrogen program overview

    SciTech Connect

    Gronich, S.

    1997-12-31

    This paper consists of viewgraphs which summarize the following: Hydrogen program structure; Goals for hydrogen production research; Goals for hydrogen storage and utilization research; Technology validation; DOE technology validation activities supporting hydrogen pathways; Near-term opportunities for hydrogen; Market for hydrogen; and List of solicitation awards. It is concluded that a full transition toward a hydrogen economy can begin in the next decade.

  13. The Blue Dots Initiative and Roadmapping Exercise

    NASA Astrophysics Data System (ADS)

    Coudé du Foresto, V.

    2010-10-01

    The Blue Dots initiative (a grassroot effort to build a scientific community in Europe around the exoplanet theme) is introduced. The Blue Dots activities include the elaboration of a roadmap towards the spectroscopic characterization of habitable exoplanets, a summary of which is presented here. While the roadmap will need to be updated regularly, it is expected that the methodology developed within Blue Dots will provide a durable framework for the elaboration of future revisions.

  14. Recognition-Mediated Assembly of Quantum Dot Polymer Conjugates with Controlled Morphology

    PubMed Central

    Nandwana, Vikas; Subramani, Chandramouleeswaran; Eymur, Serkan; Yeh, Yi-Cheun; Tonga, Gulen Yesilbag; Tonga, Murat; Jeong, Youngdo; Yang, Boqian; Barnes, Michael D.; Cooke, Graeme; Rotello, Vincent M.

    2011-01-01

    We have demonstrated a polymer mediated “bricks and mortar” method for the self-assembly of quantum dots (QDs). This strategy allows QDs to self-assemble into structured aggregates using complementary three-point hydrogen bonding. The resulting nanocomposites have distinct morphologies and inter-particle distances based on the ratio between QDs and polymer. Time resolved photoluminescence measurements showed that the optical properties of the QDs were retained after self-assembly. PMID:22016664

  15. Chemiluminescence behavior of CdTe-hydrogen peroxide enhanced by sodium hypochlorite and sensitized sensing of estrogens

    NASA Astrophysics Data System (ADS)

    Ling, Bo; Bi, Jianhong; Pi, Zongxin; Dong, Huaze; Dong, Ling

    2014-05-01

    It has been found that sodium hypochlorite enhanced the chemiluminescence (CL) of the CdTe nanocrystal (NC)-hydrogen peroxide system and that estrogens inhibited these CL signals in alkaline solution. CL spectra were used to investigate the mechanism of the CL enhancement. On the basis of the inhibition, a flow-injection CL method has been established for determination of three natural estrogens.

  16. Charge state hysteresis in semiconductor quantum dots

    NASA Astrophysics Data System (ADS)

    Yang, C. H.; Rossi, A.; Lai, N. S.; Leon, R.; Lim, W. H.; Dzurak, A. S.

    2014-11-01

    Semiconductor quantum dots provide a two-dimensional analogy for real atoms and show promise for the implementation of scalable quantum computers. Here, we investigate the charge configurations in a silicon metal-oxide-semiconductor double quantum dot tunnel coupled to a single reservoir of electrons. By operating the system in the few-electron regime, the stability diagram shows hysteretic tunnelling events that depend on the history of the dots charge occupancy. We present a model which accounts for the observed hysteretic behaviour by extending the established description for transport in double dots coupled to two reservoirs. We demonstrate that this type of device operates like a single-electron memory latch.

  17. Entanglement and Quantum Optics with Quantum Dots

    NASA Astrophysics Data System (ADS)

    Burgers, A. P.; Schaibley, J. R.; Steel, D. G.

    2015-06-01

    Quantum dots (QDs) exhibit many characteristics of simpler two-level (or few level) systems, under optical excitation. This makes atomic coherent optical spectroscopy theory and techniques well suited for understanding the behavior of quantum dots. Furthermore, the combination of the solid state nature of quantum dots and their close approximation to atomic systems makes them an attractive platform for quantum information based technologies. In this chapter, we will discuss recent studies using direct detection of light emitted from a quantum dot to investigate coherence properties and confirm entanglement between the emitted photon and an electron spin qubit confined to the QD.

  18. Charge state hysteresis in semiconductor quantum dots

    SciTech Connect

    Yang, C. H.; Rossi, A. Lai, N. S.; Leon, R.; Lim, W. H.; Dzurak, A. S.

    2014-11-03

    Semiconductor quantum dots provide a two-dimensional analogy for real atoms and show promise for the implementation of scalable quantum computers. Here, we investigate the charge configurations in a silicon metal-oxide-semiconductor double quantum dot tunnel coupled to a single reservoir of electrons. By operating the system in the few-electron regime, the stability diagram shows hysteretic tunnelling events that depend on the history of the dots charge occupancy. We present a model which accounts for the observed hysteretic behaviour by extending the established description for transport in double dots coupled to two reservoirs. We demonstrate that this type of device operates like a single-electron memory latch.

  19. Synthetic Developments of Nontoxic Quantum Dots.

    PubMed

    Das, Adita; Snee, Preston T

    2016-03-01

    Semiconductor nanocrystals, or quantum dots (QDs), are candidates for biological sensing, photovoltaics, and catalysis due to their unique photophysical properties. The most studied QDs are composed of heavy metals like cadmium and lead. However, this engenders concerns over heavy metal toxicity. To address this issue, numerous studies have explored the development of nontoxic (or more accurately less toxic) quantum dots. In this Review, we select three major classes of nontoxic quantum dots composed of carbon, silicon and Group I-III-VI elements and discuss the myriad of synthetic strategies and surface modification methods to synthesize quantum dots composed of these material systems. PMID:26548450

  20. Thermoelectric energy harvesting with quantum dots.

    PubMed

    Sothmann, Björn; Sánchez, Rafael; Jordan, Andrew N

    2015-01-21

    We review recent theoretical work on thermoelectric energy harvesting in multi-terminal quantum-dot setups. We first discuss several examples of nanoscale heat engines based on Coulomb-coupled conductors. In particular, we focus on quantum dots in the Coulomb-blockade regime, chaotic cavities and resonant tunneling through quantum dots and wells. We then turn toward quantum-dot heat engines that are driven by bosonic degrees of freedom such as phonons, magnons and microwave photons. These systems provide interesting connections to spin caloritronics and circuit quantum electrodynamics. PMID:25549281

  1. Kinetics study of the Cl/2P/ + Cl2O yields Cl2 + ClO reaction at 298 K

    NASA Technical Reports Server (NTRS)

    Ray, G. W.; Keyser, L. F.; Watson, R. T.

    1980-01-01

    The kinetics of the Cl + Cl2O reaction, a possible source of ClO(2 Pi) radicals for atmospheric photochemical studies, are investigated at 298 K. The discharge flow/mass spectrometry and discharge flow/resonance fluorescence techniques were used to monitor the decay of C12O in the presence of excess concentrations of atomic chlorine and chlorine monoxide, respectively. The pseudo-first order rate constants obtained from both experiments are found to be in excellent agreement, averaging 9.8 + or - 0.8 x 10 to the -11th cu cm/molecule per sec. Results are consistent with the lower limit obtained by Edgecombe et al. (1957) but differ by a factor of 150 from those of Basco and Dogra (1971). The present value is also noted to be consistent with a lower value for the rate constant of the reaction of oxygen atoms with Cl2O.

  2. Pathways for the OH + Cl2 → HOCl + Cl and HOCl + Cl → HCl + ClO Reactions.

    PubMed

    Wang, Hongyan; Qiu, Yudong; Czakó, Gábor; Schaefer, Henry F

    2015-07-16

    High level coupled-cluster theory, with spin-orbit coupling evaluated via the Breit-Pauli operator in the interacting-states approach, is used to investigate the OH radical reaction with Cl2 and the subsequent reaction HOCl + Cl. The entrance complex, transition state, and exit complex for both reactions have been determined using the CCSD(T) method with correlation consistent basis sets up to cc-pV6Z. Also reported are CCSDT computations. The OH + Cl2 reaction is predicted to be endothermic by 2.2 kcal/mol, compared to the best experiments, 2.0 kcal/mol. The above theoretical results include zero-point vibrational energy corrections and spin-orbit contributions. The activation energy (Ea) of the OH + Cl2 reaction predicted here, 2.3 kcal/mol, could be as much as 1 kcal/mol too high, but it falls among the four experimental Ea values, which span the range 1.1-2.5 kcal/mol. The exothermicity of the second reaction HOCl + Cl → HCl + ClO is 8.4 kcal/mol, compared to experiment 8.7 kcal/mol. The activation energy for latter reaction is unknown experimentally, but predicted here to be large, 11.5 kcal/mol. There are currently no experiments relevant to the theoretical entrance and exit complexes predicted here. PMID:25965106

  3. The surface termination effect on the quantum confinement and electron affinities of 3C-SiC quantum dots: a first-principles study

    NASA Astrophysics Data System (ADS)

    Zhang, Zhenkui; Dai, Ying; Yu, Lin; Guo, Meng; Huang, Baibiao; Whangbo, Myung-Hwan

    2012-02-01

    In light of the established differences between the quantum confinement effect and the electron affinities between hydrogen-passivated C and Si quantum dots, we carried out theoretical investigations on SiC quantum dots, with surfaces uniformly terminated by C-H or Si-H bonds, to explore the role of surface terminations on these two aspects. Surprisingly, it was found that the quantum confinement effect is present (or absent) in the highest occupied (or lowest unoccupied) molecular orbital of the SiC quantum dots regardless of their surface terminations. Thus, the quantum confinement effect related to the energy gap observed experimentally (Phys. Rev. Lett., 2005, 94, 026102) is contributed to by the size-dependence of the highest occupied states; the absence of quantum confinement in the lowest unoccupied states is in contrary to the usual belief based on hydrogen-passivated C quantum dots. However, the cause of the absence of the quantum confinement in C nanodots is not transferable to SiC. We propose a model that provides a clear explanation for all findings on the basis of the nearest-neighbor and next-nearest-neighbor interactions between the valence atomic p-orbital in the frontier occupied/unoccupied states. We also found that the electron affinities of the SiC quantum dots, which closely depend on the surface environments, are negative for the C-H termination and positive for the Si-H termination. The prediction of negative electron affinities in SiC quantum dots by simple C-H termination indicates a promising application for these materials in electron-emitter devices. Our model predicts that GeC quantum dots with hydrogen passivation exhibit similar features to SiC quantum dots and our study confirms the crucial role that the surface environment plays in these nanoscale systems.In light of the established differences between the quantum confinement effect and the electron affinities between hydrogen-passivated C and Si quantum dots, we carried out

  4. Hydrogen chloride

    Integrated Risk Information System (IRIS)

    Hydrogen chloride ; CASRN 7647 - 01 - 0 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogeni

  5. Hydrogen sulfide

    Integrated Risk Information System (IRIS)

    Hydrogen sulfide ; 7783 - 06 - 4 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Effec

  6. Metallic Hydrogen

    NASA Astrophysics Data System (ADS)

    Silvera, Isaac; Zaghoo, Mohamed; Salamat, Ashkan

    2015-03-01

    Hydrogen is the simplest and most abundant element in the Universe. At high pressure it is predicted to transform to a metal with remarkable properties: room temperature superconductivity, a metastable metal at ambient conditions, and a revolutionary rocket propellant. Both theory and experiment have been challenged for almost 80 years to determine its condensed matter phase diagram, in particular the insulator-metal transition. Hydrogen is predicted to dissociate to a liquid atomic metal at multi-megabar pressures and T =0 K, or at megabar pressures and very high temperatures. Thus, its predicted phase diagram has a broad field of liquid metallic hydrogen at high pressure, with temperatures ranging from thousands of degrees to zero Kelvin. In a bench top experiment using static compression in a diamond anvil cell and pulsed laser heating, we have conducted measurements on dense hydrogen in the region of 1.1-1.7 Mbar and up to 2200 K. We observe a first-order phase transition in the liquid phase, as well as sharp changes in optical transmission and reflectivity when this phase is entered. The optical signature is that of a metal. The mapping of the phase line of this transition is in excellent agreement with recent theoretical predictions for the long-sought plasma phase transition to metallic hydrogen. Research supported by the NSF, Grant DMR-1308641, the DOE Stockpile Stewardship Academic Alliance Program, Grant DE-FG52-10NA29656, and NASA Earth and Space Science Fellowship Program, Award NNX14AP17H.

  7. Preparation and spectroscopic characterization of two HoCl 3-galactitol complexes and one ErCl 3-galactitol complex

    NASA Astrophysics Data System (ADS)

    Hua, Xiaohui; Pan, Qinghua; Yu, Lei; Xue, Junhui; Yang, Limin; Xu, Yizhuang; Zhao, Guozhong; Li, Weihong; Wang, Zheming; Wu, Jinguang; Liu, Kexin; Chen, Jia'er

    2011-07-01

    The interactions between metal ions and hydroxyl groups of carbohydrates are important for their possible biological activities. Here two HoCl 3-galactitol complexes ([Ho(galac)(H 2O) 3)]Cl 3·0.5galac) (HoG(I)) and ([Ho 2(galac)(H 2O) 12)]Cl 6·2H 2O) (HoG(II))) and one ErCl 3-galactitol complex ([Er(galac)(H 2O) 3)]Cl 3·0.5galac)(ErG)) were prepared and characterized. The possible structures of HoG(I) and ErG were deduced from FTIR, elemental analysis, ESI-MS, FIR, THz and TGA results. It is suggested that Ho 3+ or Er 3+ is 9-coordinated with six hydroxyl groups from two galactitol molecules and three water molecules, and another galactitol molecule is hydrogen-bonded in HoG(I) and ErG and the ratio of metal to ligand is 1:1.5. The structure of HoG(II) was determined by FTIR and X-ray diffraction analyses. The results demonstrate that lanthanide ions with galactitol may form two compounds in a system and different topological structures can be obtained.

  8. A 3-fold-symmetric ligand based on 2-hydroxypyridine: regulation of ligand binding by hydrogen bonding.

    PubMed

    Moore, Cameron M; Quist, David A; Kampf, Jeff W; Szymczak, Nathaniel K

    2014-04-01

    A tripodal ligand based on 2-hydroxypyridine is presented. Cu-Cl adducts of H3thpa with Cu(I) and Cu(II) provide complexes featuring highly directed, intramolecular hydrogen-bonding interactions. An upper limit for the hydrogen-bonding free energy to Cu(I)-Cl was estimated at ∼18 kcal/mol. PMID:24654846

  9. Determination of ethanol using permanganate-CdS quantum dot chemiluminescence system.

    PubMed

    Abolhasani, Jafar; Hassanzadeh, Javad

    2015-08-01

    A novel and highly sensitive chemiluminescence (CL) method for the determination of ethanol was developed based on the CdS quantum dots (QDs)-permanganate system. It was found that KMnO4 could directly oxidize CdS QDs in acidic media resulting in relatively high CL emission. A possible mechanism was proposed for this reaction based on UV/Vis absorption, fluorescence and the generated CL emission spectra. However, it was observed that ethanol had a remarkable inhibition effect on this system. This effect was exploited in the determination of ethanol within the concentration range 12-300 µg/L, with detection at 4.3 µg/L. In order to evaluate the capability of presented method, it was satisfactorily utilized in the determination of alcohol in real samples. PMID:25345928

  10. Nitrogen-Doped Carbon Dots for "green" Quantum Dot Solar Cells.

    PubMed

    Wang, Hao; Sun, Pengfei; Cong, Shan; Wu, Jiang; Gao, Lijun; Wang, Yun; Dai, Xiao; Yi, Qinghua; Zou, Guifu

    2016-12-01

    Considering the environment protection, "green" materials are increasingly explored for photovoltaics. Here, we developed a kind of quantum dots solar cell based on nitrogen-doped carbon dots. The nitrogen-doped carbon dots were prepared by direct pyrolysis of citric acid and ammonia. The nitrogen-doped carbon dots' excitonic absorption depends on the N-doping content in the carbon dots. The N-doping can be readily modified by the mass ratio of reactants. The constructed "green" nitrogen-doped carbon dots solar cell achieves the best power conversion efficiency of 0.79 % under AM 1.5 G one full sun illumination, which is the highest efficiency for carbon dot-based solar cells. PMID:26781285

  11. Nitrogen-Doped Carbon Dots for "green" Quantum Dot Solar Cells

    NASA Astrophysics Data System (ADS)

    Wang, Hao; Sun, Pengfei; Cong, Shan; Wu, Jiang; Gao, Lijun; Wang, Yun; Dai, Xiao; Yi, Qinghua; Zou, Guifu

    2016-01-01

    Considering the environment protection, "green" materials are increasingly explored for photovoltaics. Here, we developed a kind of quantum dots solar cell based on nitrogen-doped carbon dots. The nitrogen-doped carbon dots were prepared by direct pyrolysis of citric acid and ammonia. The nitrogen-doped carbon dots' excitonic absorption depends on the N-doping content in the carbon dots. The N-doping can be readily modified by the mass ratio of reactants. The constructed "green" nitrogen-doped carbon dots solar cell achieves the best power conversion efficiency of 0.79 % under AM 1.5 G one full sun illumination, which is the highest efficiency for carbon dot-based solar cells.

  12. Single-dot optical emission from ultralow density well-isolated InP quantum dots

    SciTech Connect

    Ugur, A.; Hatami, F.; Masselink, W. T.; Vamivakas, A. N.; Lombez, L.; Atatuere, M.

    2008-10-06

    We demonstrate a straightforward way to obtain single well-isolated quantum dots emitting in the visible part of the spectrum and characterize the optical emission from single quantum dots using this method. Self-assembled InP quantum dots are grown using gas-source molecular-beam epitaxy over a wide range of InP deposition rates, using an ultralow growth rate of about 0.01 atomic monolayers/s, a quantum-dot density of 1 dot/{mu}m{sup 2} is realized. The resulting isolated InP quantum dots embedded in an InGaP matrix are individually characterized without the need for lithographical patterning and masks on the substrate. Such low-density quantum dots show excitonic emission at around 670 nm with a linewidth limited by instrument resolution. This system is applicable as a single-photon source for applications such as quantum cryptography.

  13. Rapid DOTS expansion in India.

    PubMed Central

    Khatri, G. R.; Frieden, Thomas R.

    2002-01-01

    Since late 1998 the coverage of the DOTS strategy in India has been expanded rapidly. In both 2000 and 2001 the country probably accounted for more than half the global increase in the number of patients treated under DOTS and by early 2002 more than a million patients were being treated in this way in India. As a result, nearly 200 000 lives were saved. The lessons learnt relate to the importance of the following elements of the programme: (1) getting the science right and ensuring technical excellence; (2) building commitment and ensuring the provision of funds and flexibility in their utilization; (3) maintaining focus and priorities; (4) systematically appraising each area before starting service delivery; (5) ensuring an uninterrupted drug supply; (6) strengthening the established infrastructure and providing support for staff; (7) supporting the infrastructure required in urban areas; (8) ensuring full-time independent technical support and supervision, particularly during the initial phases of implementation; (9) monitoring intensively and giving timely feedback; and (10) continuous supervision. Tuberculosis (TB) control still faces major challenges in India. To reach its potential, the control programme needs to: continue to expand so as to cover the remaining half of the country, much of which has a weaker health infrastructure than the areas already covered; increase its reach in the areas already covered so that a greater proportion of patients is treated; ensure sustainability; improve the patient-friendliness of services; confront TB associated with human immunodeficiency virus (HIV) infection. It is expected that HIV will increase the number of TB cases by at least 10% and by a considerably higher percentage if HIV becomes much more widespread. India's experience shows that DOTS can achieve high case-detection and cure rates even with imperfect technology and often with an inadequate public health infrastructure. However, this can only happen if the

  14. Hydrogen environment embrittlement.

    NASA Technical Reports Server (NTRS)

    Gray, H. R.

    1972-01-01

    Hydrogen embrittlement is classified into three types: internal reversible hydrogen embrittlement, hydrogen reaction embrittlement, and hydrogen environment embrittlement. Characteristics of and materials embrittled by these types of hydrogen embrittlement are discussed. Hydrogen environment embrittlement is reviewed in detail. Factors involved in standardizing test methods for detecting the occurrence of and evaluating the severity of hydrogen environment embrittlement are considered. The effects of test technique, hydrogen pressure, purity, strain rate, stress concentration factor, and test temperature are discussed.

  15. STED nanoscopy with fluorescent quantum dots

    NASA Astrophysics Data System (ADS)

    Hanne, Janina; Falk, Henning J.; Görlitz, Frederik; Hoyer, Patrick; Engelhardt, Johann; Sahl, Steffen J.; Hell, Stefan W.

    2015-05-01

    The widely popular class of quantum-dot molecular labels could so far not be utilized as standard fluorescent probes in STED (stimulated emission depletion) nanoscopy. This is because broad quantum-dot excitation spectra extend deeply into the spectral bands used for STED, thus compromising the transient fluorescence silencing required for attaining super-resolution. Here we report the discovery that STED nanoscopy of several red-emitting commercially available quantum dots is in fact successfully realized by the increasingly popular 775 nm STED laser light. A resolution of presently ~50 nm is demonstrated for single quantum dots, and sub-diffraction resolution is further shown for imaging of quantum-dot-labelled vimentin filaments in fibroblasts. The high quantum-dot photostability enables repeated STED recordings with >1,000 frames. In addition, we have evidence that the tendency of quantum-dot labels to blink is largely suppressed by combined action of excitation and STED beams. Quantum-dot STED significantly expands the realm of application of STED nanoscopy, and, given the high stability of these probes, holds promise for extended time-lapse imaging.

  16. Thick-shell nanocrystal quantum dots

    SciTech Connect

    Hollingsworth, Jennifer A.; Chen, Yongfen; Klimov, Victor I.; Htoon, Han; Vela, Javier

    2011-05-03

    Colloidal nanocrystal quantum dots comprising an inner core having an average diameter of at least 1.5 nm and an outer shell, where said outer shell comprises multiple monolayers, wherein at least 30% of the quantum dots have an on-time fraction of 0.80 or greater under continuous excitation conditions for a period of time of at least 10 minutes.

  17. STED nanoscopy with fluorescent quantum dots

    PubMed Central

    Hanne, Janina; Falk, Henning J.; Görlitz, Frederik; Hoyer, Patrick; Engelhardt, Johann; Sahl, Steffen J.; Hell, Stefan W.

    2015-01-01

    The widely popular class of quantum-dot molecular labels could so far not be utilized as standard fluorescent probes in STED (stimulated emission depletion) nanoscopy. This is because broad quantum-dot excitation spectra extend deeply into the spectral bands used for STED, thus compromising the transient fluorescence silencing required for attaining super-resolution. Here we report the discovery that STED nanoscopy of several red-emitting commercially available quantum dots is in fact successfully realized by the increasingly popular 775 nm STED laser light. A resolution of presently ∼50 nm is demonstrated for single quantum dots, and sub-diffraction resolution is further shown for imaging of quantum-dot-labelled vimentin filaments in fibroblasts. The high quantum-dot photostability enables repeated STED recordings with >1,000 frames. In addition, we have evidence that the tendency of quantum-dot labels to blink is largely suppressed by combined action of excitation and STED beams. Quantum-dot STED significantly expands the realm of application of STED nanoscopy, and, given the high stability of these probes, holds promise for extended time-lapse imaging. PMID:25980788

  18. Semiconductor double quantum dot micromaser.

    PubMed

    Liu, Y-Y; Stehlik, J; Eichler, C; Gullans, M J; Taylor, J M; Petta, J R

    2015-01-16

    The coherent generation of light, from masers to lasers, relies upon the specific structure of the individual emitters that lead to gain. Devices operating as lasers in the few-emitter limit provide opportunities for understanding quantum coherent phenomena, from terahertz sources to quantum communication. Here we demonstrate a maser that is driven by single-electron tunneling events. Semiconductor double quantum dots (DQDs) serve as a gain medium and are placed inside a high-quality factor microwave cavity. We verify maser action by comparing the statistics of the emitted microwave field above and below the maser threshold. PMID:25593187

  19. ADVANCED HYDROGEN TRANSPORT MEMBRANES FOR VISION 21 FOSSIL FUEL PLANTS

    SciTech Connect

    Shane E. Roark; Anthony F. Sammells; Richard Mackay; Scott R. Morrison; Sara L. Rolfe; U. Balachandran; Richard N. Kleiner; James E. Stephen; Frank E. Anderson; Shandra Ratnasamy; Jon P. Wagner; Clive Brereton

    2004-01-30

    The objective of this project is to develop an environmentally benign, inexpensive, and efficient method for separating hydrogen from gas mixtures produced during industrial processes, such as coal gasification. Currently, this project is focusing on four basic categories of dense membranes: (1) mixed conducting ceramic/ceramic composites, (2) mixed conducting ceramic/metal (cermet) composites, (3) cermets with hydrogen permeable metals, and (4) layered composites with hydrogen permeable alloys. The primary technical challenge in achieving the goals of this project will be to optimize membrane composition to enable practical hydrogen separation rates and chemical stability. Other key aspects of this developing technology include catalysis, ceramic processing methods, and separation unit design operating under high pressure. To achieve these technical goals, Eltron Research Inc. has organized a consortium consisting of CoorsTek, Sued Chemie, Inc. (SCI), Argonne National Laboratory (ANL), and NORAM. Hydrogen permeation rates in excess of 50 mL {center_dot} min{sup -1} {center_dot} cm{sup 2} at {approx}440 C were routinely achieved under less than optimal experimental conditions using a range of membrane compositions. Factors that limit the maximum permeation attainable were determined to be mass transport resistance of H{sub 2} to and from the membrane surface, as well as surface contamination. Mass transport resistance was partially overcome by increasing the feed and sweep gas flow rates to greater than five liters per minute. Under these experimental conditions, H2 permeation rates in excess of 350 mL {center_dot} min{sup -1} {center_dot} cm{sup 2} at {approx}440 C were attained. These results are presented in this report, in addition to progress with cermets, thin film fabrication, catalyst development, and H{sub 2} separation unit scale up.

  20. UV photolysis of ClOOCl

    SciTech Connect

    Moore, T.A.; Okumura, Mitchio; Seale, J.W.; Minton, T.K.

    1999-03-25

    ClOOCl (ClO dimer) photolysis is believed to dominate the catalytic destruction of polar stratospheric ozone during springtime through the production of atomic chlorine. Decomposition by an alternate pathway to form ClO would not catalyze ozone loss. Molecular beam experiments have demonstrated that photoexcitation of ClOOCl at both 248 and 308 nm leads to dissociation via multiple dynamical pathways, producing ClO + ClO and 2Cl + O{sub 2}. At 248 nm, both concerted and sequential dissociation to 2Cl + O{sub 2} were observed. The primary dissociation channels occurred within a rotational period at both excitation wavelengths. The relative Cl:ClO product yields are 0.88:0.12 and 0.90:0.10 at 248 and 308 nm, respectively. Lower limits on these ratios were determined. These results substantially confirm the importance of ClOOCl photolysis in catalyzing springtime polar ozone depletion.

  1. Transition energies and magnetic properties of a neutral donor complex in a Gaussian GaAs quantum dot

    NASA Astrophysics Data System (ADS)

    Boda, Aalu; Chatterjee, Ashok

    2016-09-01

    The problem of a neutral hydrogenic donor (D0) centre located at the centre of a GaAs quantum dot with Gaussian confinement is studied in the presence of an external magnetic field. The ground and the first excited state energies and the corresponding binding energies are obtained as functions of the potential strength, quantum dot radius and the magnetic field using a variational method. It is suggested that the first excited state of the D0 centre is bound for sufficiently strong confinement potential. The 1 s - 2p- transition energy and the magnetic susceptibilities for the ground and the first excited states are also determined.

  2. Phosphate stimulates CFTR Cl- channels.

    PubMed Central

    Carson, M R; Travis, S M; Winter, M C; Sheppard, D N; Welsh, M J

    1994-01-01

    Cystic fibrosis transmembrane conductance regulator (CFTR) Cl- channels appear to be regulated by hydrolysis of ATP and are inhibited by a product of hydrolysis, ADP. We assessed the effect of the other product of hydrolysis, inorganic phosphate (P(i)), on CFTR Cl- channel activity using the excised inside-out configuration of the patch-clamp technique. Millimolar concentrations of P(i) caused a dose-dependent stimulation of CFTR Cl- channel activity. Single-channel analysis demonstrated that the increase in macroscopic current was due to an increase in single-channel open-state probability (po) and not single-channel conductance. Kinetic modeling of the effect of P(i) using a linear three-state model indicated that the effect on po was predominantly the result of an increase in the rate at which the channel passed from the long closed state to the bursting state. P(i) also potentiated activity of channels studied in the presence of 10 mM ATP and stimulated Cl- currents in CFTR mutants lacking much of the R domain. Binding studies with a photoactivatable ATP analog indicated that Pi decreased the amount of bound nucleotide. These results suggest that P(i) increased CFTR Cl- channel activity by stimulating a rate-limiting step in channel opening that may occur by an interaction of P(i) at one or both nucleotide-binding domains. Images FIGURE 8 PMID:7532021

  3. Biocompatible Quantum Dots for Biological Applications

    SciTech Connect

    Rosenthal, Sandra; Chang, Jerry; Kovtun, Oleg; McBride, James; Tomlinson, Ian

    2011-01-01

    Semiconductor quantum dots are quickly becoming a critical diagnostic tool for discerning cellular function at the molecular level. Their high brightness, long-lasting, size-tunable, and narrow luminescence set them apart from conventional fluorescence dyes. Quantum dots are being developed for a variety of biologically oriented applications, including fluorescent assays for drug discovery, disease detection, single protein tracking, and intracellular reporting. This review introduces the science behind quantum dots and describes how they are made biologically compatible. Several applications are also included, illustrating strategies toward target specificity, and are followed by a discussion on the limitations of quantum dot approaches. The article is concluded with a look at the future direction of quantum dots.

  4. Photoluminescence of a quantum-dot molecule

    SciTech Connect

    Kruchinin, Stanislav Yu.; Rukhlenko, Ivan D.; Baimuratov, Anvar S.; Leonov, Mikhail Yu.; Turkov, Vadim K.; Baranov, Alexander V.; Fedorov, Anatoly V.; Gun'ko, Yurii K.

    2015-01-07

    The coherent coupling of quantum dots is a sensitive indicator of the energy and phase relaxation processes taking place in the nanostructure components. We formulate a theory of low-temperature, stationary photoluminescence from a quantum-dot molecule composed of two spherical quantum dots whose electronic subsystems are resonantly coupled via the Coulomb interaction. We show that the coupling leads to the hybridization of the first excited states of the quantum dots, manifesting itself as a pair of photoluminescence peaks with intensities and spectral positions strongly dependent on the geometric, material, and relaxation parameters of the quantum-dot molecule. These parameters are explicitly contained in the analytical expression for the photoluminescence differential cross section derived in the paper. The developed theory and expression obtained are essential in interpreting and analyzing spectroscopic data on the secondary emission of coherently coupled quantum systems.

  5. Biocompatible Quantum Dots for Biological Applications

    PubMed Central

    Rosenthal, Sandra J.; Chang, Jerry C.; Kovtun, Oleg; McBride, James R.; Tomlinson, Ian D.

    2011-01-01

    Semiconductor quantum dots are quickly becoming a critical diagnostic tool for discerning cellular function at the molecular level. Their high brightness, long-lasting, sizetunable, and narrow luminescence set them apart from conventional fluorescence dyes. Quantum dots are being developed for a variety of biologically oriented applications, including fluorescent assays for drug discovery, disease detection, single protein tracking, and intracellular reporting. This review introduces the science behind quantum dots and describes how they are made biologically compatible. Several applications are also included, illustrating strategies toward target specificity, and are followed by a discussion on the limitations of quantum dot approaches. The article is concluded with a look at the future direction of quantum dots. PMID:21276935

  6. Hydrogen scavengers

    SciTech Connect

    Carroll, David W.; Salazar, Kenneth V.; Trkula, Mitchell; Sandoval, Cynthia W.

    2002-01-01

    There has been invented a codeposition process for fabricating hydrogen scavengers. First, a .pi.-bonded allylic organometallic complex is prepared by reacting an allylic transition metal halide with an organic ligand complexed with an alkali metal; and then, in a second step, a vapor of the .pi.-bonded allylic organometallic complex is combined with the vapor of an acetylenic compound, irradiated with UV light, and codeposited on a substrate.

  7. Blood Compatibility Evaluations of Fluorescent Carbon Dots.

    PubMed

    Li, Sha; Guo, Zhong; Zhang, Yi; Xue, Wei; Liu, Zonghua

    2015-09-01

    Because of their unique advantages, fluorescent carbon dots are gaining popularity in various biomedical applications. For these applications, good biosafety is a prerequisite for their use in vivo. Studies have reported the preliminary biocompatibility evaluations of fluorescent carbon dots (mainly cytotoxicity); however, to date, little information is available about their hemocompatibility, which could impede their development from laboratory to bedside. In this work, we evaluated the hemocompatibility of fluorescent carbon dots, which we prepared by hydrothermal carbonization of α-cyclodextrin. The effects of the carbon dots on the structure and function of key blood components were investigated at cellular and molecular levels. In particular, we considered the morphology and lysis of human red blood cells, the structure and conformation of the plasma protein fibrinogen, the complement activation, platelet activation, and in vitro and in vivo blood coagulation. We found that the carbon dots have obvious concentration-dependent effects on the blood components. Overall, concentrations of the fluorescent carbon dots at ≤0.1 mg/mL had few adverse effects on the blood components, but at higher doses, the carbon dots impair the structure and function of the blood components, causing morphological disruptions and lysis of red blood cells, interference in the local microenvironments of fibrinogen, activation of the complement system, and disturbances in the plasma and whole blood coagulation function in vitro. However, the carbon dots tend to activate platelets only at low concentrations. Intravenous administration of the carbon dots at doses up to 50 mg/kg did not impair the blood coagulation function. These results provide valuable information for the clinical application of fluorescent carbon dots. PMID:26269934

  8. Mean absorption coefficient of H2O-air-MgCl2/CaCl2/NaCl thermal plasmas

    NASA Astrophysics Data System (ADS)

    Hannachi, R.; Cressault, Y.; Salem, D.; Teulet, Ph; Béji, L.; Ben Lakhdar, Z.

    2012-12-01

    Under the local thermodynamic equilibrium hypothesis, the mean absorption coefficients (MACs) were calculated for H2O-air-MgCl2/CaCl2/NaCl thermal plasmas in a temperature range from 300 to 30 000 K and at atmospheric pressure. The MACs were computed under the hypothesis of isothermal plasmas which allows a good description of the radiation absorbed in cold regions. In this study, we took into account the absorption radiation resulting from the atomic continuum, molecular continuum, atomic lines and some molecular bands. Free-free transitions (bremsstrahlung) and free-bound (electron-ion recombination and electron attachment) or bound-free transitions in terms of absorption were considered for the calculation of atomic continuum. For bound-bound transitions, natural, resonance, van der Waals, Stark and Doppler effects were taken into account for the line broadenings while the escape factors were used to treat the self-absorption of the resonance lines. Molecular continuum was considered for the main molecules (H2, O2, N2, OH, NO, H2O, N2O, NO2, O3, NO3 and N2O5) whereas we studied only diatomic systems O2, N2, NO and N_2^+ for the absorption of molecular bands. The influence of the proportion of MgCl2, CaCl2 or NaCl in a water-air mixture was analysed as the effect of the strong self-absorbed resonance lines of the alkaline salts (Ca, Ca+, Na, Na+, Mg, Mg+, Cl and Cl+). Our results show that a low concentration of alkaline salts (less than 1% in molar proportions) in the plasma increased the MACs at low temperatures (T < 10 000 K) due to the resonance lines mainly localized in the near-UV and visible spectral regions in opposition to hydrogen, oxygen or nitrogen species for which 90% of them exist in ultraviolet. In addition to the atomic and molecular continuum, the absorption radiation of molecular bands is important at low temperatures.

  9. Radical Pair-Driven Luminescence of Quantum Dots for Specific Detection of Peroxynitrite in Living Cells.

    PubMed

    Zhou, Wenjuan; Cao, Yuqing; Sui, Dandan; Lu, Chao

    2016-03-01

    There is currently great interest in developing chemiluminescence (CL) probes that can selectively detect peroxynitrite (ONOO(-)) in living cells. In comparison with other reactive oxygen species (ROS), ONOO(-) can spontaneously decompose into a series of radicals. Notably, the interaction of quantum dots (QDs) with oxidizing/reducing ROS radicals can generate a strong CL emission by electron-transfer annihilation. Herein, we report a novel CL probe that affords the ability to distinguish ONOO(-) from other ROS in living cells. ONOO(-) can activate luminescence of QDs in the absence of excitation source, effectively avoiding background noise and scattering of light from biological matrixes produced by in situ excitation; however, there is no response to other ROS including (1)O2, H2O2, (•)OH, O2(•-), and ClO(-). The outstanding selectivity of the present CL probe leads us to detect the exogenous release of ONOO(-) from 3-morpholinosydnonimine (SIN-1) in living cells. These results suggest that this present probe-based CL provides a promising platform for highly selective and sensitive detection of ONOO(-) in biological systems. PMID:26894599

  10. Rate constant for the reaction Cl + HO2NO2 yielding products. [in stratospheric chemistry

    NASA Technical Reports Server (NTRS)

    Simonaitis, R.; Leu, M. T.

    1985-01-01

    The rates for the reaction of Cl atoms iwth HO2NO2 were calculated from data obtained by the use of the discharge flow/resonance fluorescence (DF/RF) and the discharge flow/mass spectrometric (DF/MS) techniques. The total rate constant, k1, for the overall reaction: 1a (Cl + HO2NO2 yielding HCl + NO2 +O2), 1b (yielding HO2 + ClNO2), and the two possible additional channels was found to be less than 1.0 x 10 to the -13th cu cm/s at 296 K. The value of (k1a + k1b) was found to be 3.4 + or - 1.4) x 10 to the -14th cu cm/s. Thus, the reaction of Cl with peroxynitric acid is too slow, by a factor of 100, to contribute significantly to the hydrogen abstraction by Cl in the stratosphere.

  11. Chiral quantum dot based materials

    NASA Astrophysics Data System (ADS)

    Govan, Joseph; Loudon, Alexander; Baranov, Alexander V.; Fedorov, Anatoly V.; Gun'ko, Yurii

    2014-05-01

    Recently, the use of stereospecific chiral stabilising molecules has also opened another avenue of interest in the area of quantum dot (QD) research. The main goal of our research is to develop new types of technologically important quantum dot materials containing chiral defects, study their properties and explore their applications. The utilisation of chiral penicillamine stabilisers allowed the preparation of new water soluble white emitting CdS quantum nanostructures which demonstrated circular dichroism in the band-edge region of the spectrum. It was also demonstrated that all three types of QDs (D-, L-, and Rac penicillamine stabilised) show very broad emission bands between 400 and 700 nm due to defects or trap states on the surfaces of the nanocrystals. In this work the chiral CdS based quantum nanostructures have also been doped by copper metal ions and new chiral penicilamine stabilized CuS nanoparticles have been prepared and investigated. It was found that copper doping had a strong effect at low levels in the synthesis of chiral CdS nanostructures. We expect that this research will open new horizons in the chemistry of chiral nanomaterials and their application in biotechnology, sensing and asymmetric synthesis.

  12. Charge induced enhancement of adsorption for hydrogen storage materials

    NASA Astrophysics Data System (ADS)

    Sun, Xiang

    2009-12-01

    The rising concerns about environmental pollution and global warming have facilitated research interest in hydrogen energy as an alternative energy source. To apply hydrogen for transportations, several issues have to be solved, within which hydrogen storage is the most critical problem. Lots of materials and devices have been developed; however, none is able to meet the DOE storage target. The primary issue for hydrogen physisorption is a weak interaction between hydrogen and the surface of solid materials, resulting negligible adsorption at room temperature. To solve this issue, there is a need to increase the interaction between the hydrogen molecules and adsorbent surface. In this study, intrinsic electric dipole is investigated to enhance the adsorption energy. The results from the computer simulation of single ionic compounds with hydrogen molecules to form hydrogen clusters showed that electrical charge of substances plays an important role in generation of attractive interaction with hydrogen molecules. In order to further examine the effects of static interaction on hydrogen adsorption, activated carbon with a large surface area was impregnated with various ionic salts including LiCl, NaCl, KCl, KBr, and NiCl2 and their performance for hydrogen storage was evaluated by using a volumetric method. Corresponding computer simulations have been carried out by using DFT (Density Functional Theory) method combined with point charge arrays. Both experimental and computational results prove that the adsorption capacity of hydrogen and its interaction with the solid materials increased with electrical dipole moment. Besides the intrinsic dipole, an externally applied electric field could be another means to enhance hydrogen adsorption. Hydrogen adsorption under an applied electric field was examined by using porous nickel foil as electrodes. Electrical signals showed that adsorption capacity increased with the increasing of gas pressure and external electric voltage

  13. Carbon-dot-decorated TiO₂ nanotube arrays used for photo/voltage-induced organic pollutant degradation and the inactivation of bacteria.

    PubMed

    Feng, Lingyan; Sun, Hanjun; Ren, Jinsong; Qu, Xiaogang

    2016-03-18

    Photoluminescent carbon dots (c-dots) have recently attracted growing interest as a new member of the carbon-nanomaterial family. Here, we report for the first time that c-dot-decorated TiO2 nanotube arrays (c-dot/TiNTs) exhibit highly enhanced abilities regarding photo/voltage-induced organic pollutant degradation and bacterial inactivation. By applying UV irradiation (365 nm) or an electrochemical potential over 3 V (versus Ag/AgCl), an organic dye and a herbicide were efficiently degraded. Moreover, the inactivation of Gram-positive S. aureus and Gram-negative E. coli bacteria was realized on a c-dot/TiNT film. The c-dots were able to absorb light efficiently resulting in multiple exciton generation and also a reduction in the recombination of the e(-)/h(+) pair produced in c-dot/TiNT film during photo/voltage-induced degradation. It was also possible to readily regenerate the surface using ultraviolet light irradiation, leaving the whole film structure undamaged and with high reproducibility and stability. PMID:26870882

  14. Carbon-dot-decorated TiO2 nanotube arrays used for photo/voltage-induced organic pollutant degradation and the inactivation of bacteria

    NASA Astrophysics Data System (ADS)

    Feng, Lingyan; Sun, Hanjun; Ren, Jinsong; Qu, Xiaogang

    2016-03-01

    Photoluminescent carbon dots (c-dots) have recently attracted growing interest as a new member of the carbon-nanomaterial family. Here, we report for the first time that c-dot-decorated TiO2 nanotube arrays (c-dot/TiNTs) exhibit highly enhanced abilities regarding photo/voltage-induced organic pollutant degradation and bacterial inactivation. By applying UV irradiation (365 nm) or an electrochemical potential over 3 V (versus Ag/AgCl), an organic dye and a herbicide were efficiently degraded. Moreover, the inactivation of Gram-positive S. aureus and Gram-negative E. coli bacteria was realized on a c-dot/TiNT film. The c-dots were able to absorb light efficiently resulting in multiple exciton generation and also a reduction in the recombination of the e-/h+ pair produced in c-dot/TiNT film during photo/voltage-induced degradation. It was also possible to readily regenerate the surface using ultraviolet light irradiation, leaving the whole film structure undamaged and with high reproducibility and stability.

  15. Hydrogen environment embrittlement

    NASA Technical Reports Server (NTRS)

    Gray, H. R.

    1972-01-01

    Hydrogen embrittlement is classified into three types: internal reversible hydrogen embrittlement, hydrogen reaction embrittlement, and hydrogen environment embrittlement. Characteristics of and materials embrittled by these types of hydrogen embrittlement are discussed. Hydrogen environment embrittlement is reviewed in detail. Factors involved in standardizing test methods for detecting the occurrence of and evaluating the severity of hydrogen environment embrittlement are considered. The effect of test technique, hydrogen pressure, purity, strain rate, stress concentration factor, and test temperature are discussed. Additional research is required to determine whether hydrogen environment embrittlement and internal reversible hydrogen embrittlement are similar or distinct types of embrittlement.

  16. Extracellular biosynthesis of CdTe quantum dots by the fungus Fusarium oxysporum and their anti-bacterial activity

    NASA Astrophysics Data System (ADS)

    Syed, Asad; Ahmad, Absar

    2013-04-01

    The growing demand for semiconductor [quantum dots (Q-dots)] nanoparticles has fuelled significant research in developing strategies for their synthesis and characterization. They are extensively investigated by the chemical route; on the other hand, use of microbial sources for biosynthesis witnessed the highly stable, water dispersible nanoparticles formation. Here we report, for the first time, an efficient fungal-mediated synthesis of highly fluorescent CdTe quantum dots at ambient conditions by the fungus Fusarium oxysporum when reacted with a mixture of CdCl2 and TeCl4. Characterization of these biosynthesized nanoparticles was carried out by different techniques such as Ultraviolet-visible (UV-Vis) spectroscopy, Photoluminescence (PL), X-ray Diffraction (XRD), X-ray Photoelectron spectroscopy (XPS), Transmission Electron Microscopy (TEM) and Fourier Transformed Infrared Spectroscopy (FTIR) analysis. CdTe nanoparticles shows antibacterial activity against Gram positive and Gram negative bacteria. The fungal based fabrication provides an economical, green chemistry approach for production of highly fluorescent CdTe quantum dots.

  17. Registration of 'Thunder CL' Wheat

    Technology Transfer Automated Retrieval System (TEKTRAN)

    'Thunder CL' (Reg. No. CV- , PI XXXXXX) hard white winter wheat (Triticum aestivum L.) was developed by the Colorado Agricultural Experiment Station and released in August 2008 through a marketing agreement with the Colorado Wheat Research Foundation. In addition to researchers at Colorado State Uni...

  18. Quantum Dots in Gated Nanowires and Nanotubes

    NASA Astrophysics Data System (ADS)

    Churchill, Hugh Olen Hill

    This thesis describes experiments on quantum dots made by locally gating one-dimensional quantum wires. The first experiment studies a double quantum dot device formed in a Ge/Si core/shell nanowire. In addition to measuring transport through the double dot, we detect changes in the charge occupancy of the double dot by capacitively coupling it to a third quantum dot on a separate nanowire using a floating gate. We demonstrate tunable tunnel coupling of the double dot and quantify the strength of the tunneling using the charge sensor. The second set of experiments concerns carbon nanotube double quantum dots. In the first nanotube experiment, spin-dependent transport through the double dot is compared in two sets of devices. The first set is made with carbon containing the natural abundance of 12C (99%) and 13C (1%), the second set with the 99% 13C and 1% 12C. In the devices with predominantly 13C, we find evidence in spin-dependent transport of the interaction between the electron spins and the 13C nuclear spins that was much stronger than expected and not present in the 12C devices. In the second nanotube experiment, pulsed gate experiments are used to measure the timescales of spin relaxation and dephasing in a two-electron double quantum dot. The relaxation time is longest at zero magnetic field and goes through a minimum at higher field, consistent with the spin-orbit-modified electronic spectrum of carbon nanotubes. We measure a short dephasing time consistent with the anomalously strong electron-nuclear interaction inferred from the first nanotube experiment.

  19. A structure of CdS/CuxS quantum dots sensitized solar cells

    NASA Astrophysics Data System (ADS)

    Shen, Ting; Bian, Lu; Li, Bo; Zheng, Kaibo; Pullerits, Tönu; Tian, Jianjun

    2016-05-01

    This work introduces a type of CdS/CuxS quantum dots (QDs) as sensitizers in quantum dot sensitized solar cells by in-situ cationic exchange reaction method where CdS photoanode is directly immersed in CuCl2 methanol solution to replace Cd2+ by Cu2+. The p-type CuxS layer on the surface of the CdS QDs can be considered as hole transport material, which not only enhances the light harvesting of photoanode but also boosts the charge separation after photo-excitation. Therefore, both the electron collection efficiency and power conversion efficiency of the solar cell are improved from 80% to 92% and from 1.21% to 2.78%, respectively.

  20. High open circuit voltages of solar cells based on quantum dot and dye hybrid-sensitization

    SciTech Connect

    Zhao, Yujie; Zhao, Wanyu; Chen, Jingkuo; Li, Huayang; Fu, Wuyou E-mail: fuwy56@163.com; Sun, Guang; Cao, Jianliang; Zhang, Zhanying; Bala, Hari E-mail: fuwy56@163.com

    2014-01-06

    A type of solar cell based on quantum dot (QD) and dye hybrid-sensitized mesoporous TiO{sub 2} film electrode was designed and reported. The electrode was consisted of a TiO{sub 2} nanoparticle (NP) thin film layer sensitized with CdS quantum dot (QD) and an amorphous TiO{sub 2} coated TiO{sub 2} NP thin film layer that sensitized with C106 dye. The amorphous TiO{sub 2} layer was obtained by TiCl{sub 4} post-treatment to improve the properties of solar cells. Research showed that the solar cells fabricated with as-prepared hybrid-sensitized electrode exhibited excellent photovoltaic performances and a fairly high open circuit voltage of 796 mV was achieved.

  1. High open circuit voltages of solar cells based on quantum dot and dye hybrid-sensitization

    NASA Astrophysics Data System (ADS)

    Zhao, Yujie; Bala, Hari; Zhao, Wanyu; Chen, Jingkuo; Li, Huayang; Fu, Wuyou; Sun, Guang; Cao, Jianliang; Zhang, Zhanying

    2014-01-01

    A type of solar cell based on quantum dot (QD) and dye hybrid-sensitized mesoporous TiO2 film electrode was designed and reported. The electrode was consisted of a TiO2 nanoparticle (NP) thin film layer sensitized with CdS quantum dot (QD) and an amorphous TiO2 coated TiO2 NP thin film layer that sensitized with C106 dye. The amorphous TiO2 layer was obtained by TiCl4 post-treatment to improve the properties of solar cells. Research showed that the solar cells fabricated with as-prepared hybrid-sensitized electrode exhibited excellent photovoltaic performances and a fairly high open circuit voltage of 796 mV was achieved.

  2. 49 CFR 178.345 - General design and construction requirements applicable to Specification DOT 406 (§ 178.346), DOT...

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 2 2010-10-01 2010-10-01 false General design and construction requirements applicable to Specification DOT 406 (§ 178.346), DOT 407 (§ 178.347), and DOT 412 (§ 178.348) cargo tank....345 General design and construction requirements applicable to Specification DOT 406 (§ 178.346),...

  3. Hydrogen detector

    DOEpatents

    Kanegae, Naomichi; Ikemoto, Ichiro

    1980-01-01

    A hydrogen detector of the type in which the interior of the detector is partitioned by a metal membrane into a fluid section and a vacuum section. Two units of the metal membrane are provided and vacuum pipes are provided independently in connection to the respective units of the metal membrane. One of the vacuum pipes is connected to a vacuum gauge for static equilibrium operation while the other vacuum pipe is connected to an ion pump or a set of an ion pump and a vacuum gauge both designed for dynamic equilibrium operation.

  4. Quantum dot circuits: Single-electron switch and few-electron quantum dots

    NASA Astrophysics Data System (ADS)

    Chan, Ian Hin-Yun

    A strongly capacitively-coupled parallel double quantum dot was studied as a single-electron switch. The double dot was fabricated in a two-dimensional electron gas (2DEG) in a GaAs/AlGaAs heterostructure. An electrically-floating coupling gate increased capacitive-coupling between the dots, while an etched trench prevented tunnel-coupling between them. Split Coulomb blockade peaks were observed in each dot, and the Coulomb blockade conductance of the double dot formed a hexagonal pattern characteristic of coupled dots. A fractional peak splitting f = 0.34 was measured, which corresponds to a fractional capacitive-coupling alpha ≡ CINT/CSigma = 0.20. This is an order of magnitude larger than reported for similar lateral quantum dots, and shows that the coupling gate works. The strong capacitive-coupling in our device allowed the charge state of one dot to strongly influence the conductance of the other dot and enabled it to work as a single-electron switch. By moving in a combination of gate voltages, electrons are induced in one dot (the "trigger" dot) only. In response to the change in the charge state, the conductance of the other dot (the "switched" dot) is turned on and off. The abruptness of the conductance switching in gate voltage (the switching lineshape) is determined by how well charge is quantized on the trigger dot, and was found to follow tanh and arctan forms for (respectively) good and poor charge quantization in the trigger dot. A few-electron tunnel-coupled series double dot was studied for possible application to quantum computing. The device was fabricated in a square-well 2DEG in a GaAs/AlGaAs heterostructure. The dots were emptied of electrons in order to define the absolute number of electrons in the dot. Finite bias Coulomb blockade measurements on each dot showed that the last Coulomb blockade diamonds did not close and thus that both dots could be emptied. A three-dimensional conductance measurement of one dot in the one sidegate and the

  5. Evolution of crystalline domain size and epitaxial orientation of CdTe/Si(111) quantum dots

    NASA Astrophysics Data System (ADS)

    Suela, J.; Ribeiro, I. R. B.; Ferreira, S. O.; Malachias, A.; Fontes, G. N.; Montoro, L. A.; Ramirez, A. J.

    2010-03-01

    We have investigated the crystalline configuration of CdTe quantum dots (QDs) grown on hydrogen passivated Si(111) substrates by hot wall epitaxy. Coplanar and grazing incidence diffraction were used for determination of dot strain state and the vertical and lateral dimensions of the crystalline domain. A change in aspect ratio was observed as a function of dot size. X-ray diffraction (XRD) results show that despite a mismatch of almost 20% the islands grow with a fairly good epitaxial orientation with respect to the Si(111) substrate. The dot mosaicity was also determined and was found to decrease with island size from 7° to about 4° for the samples studied, indicating an improvement in epitaxial quality even before the island coalescence. Careful observation of CdTe(22¯0) reflections in an azimuthal scan showed that an additional ensemble of islands is responsible for low-intensity peaks with a 30° symmetry besides the expected 60° symmetry. Transmission electron microscopy results have shown good accordance with atomic force microscopy and XRD and revealed the presence of an amorphous Tellurium rich oxide layer at the CdTe/Si interface, which could explain the fully unstrained QD state observed.

  6. Magnon-driven quantum dot refrigerators

    NASA Astrophysics Data System (ADS)

    Wang, Yuan; Huang, Chuankun; Liao, Tianjun; Chen, Jincan

    2015-12-01

    A new model of refrigerator consisting of a spin-splitting quantum dot coupled with two ferromagnetic reservoirs and a ferromagnetic insulator is proposed. The rate equation is used to calculate the occupation probabilities of the quantum dot. The expressions of the electron and magnon currents are obtained. The region that the system can work in as a refrigerator is determined. The cooling power and coefficient of performance (COP) of the refrigerator are derived. The influences of the magnetic field, applied voltage, and polarization of two leads on the performance are discussed. The performances of two different magnon-driven quantum dot refrigerators are compared.

  7. Fluorescent Quantum Dots for Biological Labeling

    NASA Technical Reports Server (NTRS)

    McDonald, Gene; Nadeau, Jay; Nealson, Kenneth; Storrie-Lomardi, Michael; Bhartia, Rohit

    2003-01-01

    Fluorescent semiconductor quantum dots that can serve as "on/off" labels for bacteria and other living cells are undergoing development. The "on/off" characterization of these quantum dots refers to the fact that, when properly designed and manufactured, they do not fluoresce until and unless they come into contact with viable cells of biological species that one seeks to detect. In comparison with prior fluorescence-based means of detecting biological species, fluorescent quantum dots show promise for greater speed, less complexity, greater sensitivity, and greater selectivity for species of interest. There are numerous potential applications in medicine, environmental monitoring, and detection of bioterrorism.

  8. Entangled exciton states in quantum dot molecules

    NASA Astrophysics Data System (ADS)

    Bayer, Manfred

    2002-03-01

    Currently there is strong interest in quantum information processing(See, for example, The Physics of Quantum Information, eds. D. Bouwmeester, A. Ekert and A. Zeilinger (Springer, Berlin, 2000).) in a solid state environment. Many approaches mimic atomic physics concepts in which semiconductor quantum dots are implemented as artificial atoms. An essential building block of a quantum processor is a gate which entangles the states of two quantum bits. Recently a pair of vertically aligned quantum dots has been suggested as optically driven quantum gate(P. Hawrylak, S. Fafard, and Z. R. Wasilewski, Cond. Matter News 7, 16 (1999).)(M. Bayer, P. Hawrylak, K. Hinzer, S. Fafard, M. Korkusinski, Z.R. Wasilewski, O. Stern, and A. Forchel, Science 291, 451 (2001).): The quantum bits are individual carriers either on dot zero or dot one. The different dot indices play the same role as a "spin", therefore we call them "isospin". Quantum mechanical tunneling between the dots rotates the isospin and leads to superposition of these states. The quantum gate is built when two different particles, an electron and a hole, are created optically. The two particles form entangled isospin states. Here we present spectrocsopic studies of single self-assembled InAs/GaAs quantum dot molecules that support the feasibility of this proposal. The evolution of the excitonic recombination spectrum with varying separation between the dots allows us to demonstrate coherent tunneling of carriers across the separating barrier and the formation of entangled exciton states: Due to the coupling between the dots the exciton states show a splitting that increases with decreasing barrier width. For barrier widths below 5 nm it exceeds the thermal energy at room temperature. For a given barrier width, we find only small variations of the tunneling induced splitting demonstrating a good homogeneity within a molecule ensemble. The entanglement may be controlled by application of electromagnetic field. For

  9. Quantum Dots Investigated for Solar Cells

    NASA Technical Reports Server (NTRS)

    Bailey, Sheila G.; Castro, Stephanie L.; Raffaelle, Ryne P.; Hepp, Aloysius F.

    2001-01-01

    The NASA Glenn Research Center has been investigating the synthesis of quantum dots of CdSe and CuInS2 for use in intermediate-bandgap solar cells. Using quantum dots in a solar cell to create an intermediate band will allow the harvesting of a much larger portion of the available solar spectrum. Theoretical studies predict a potential efficiency of 63.2 percent, which is approximately a factor of 2 better than any state-of-the-art devices available today. This technology is also applicable to thin-film devices--where it offers a potential four-fold increase in power-to-weight ratio over the state of the art. Intermediate-bandgap solar cells require that quantum dots be sandwiched in an intrinsic region between the photovoltaic solar cell's ordinary p- and n-type regions (see the preceding figure). The quantum dots form the intermediate band of discrete states that allow sub-bandgap energies to be absorbed. However, when the current is extracted, it is limited by the bandgap, not the individual photon energies. The energy states of the quantum dot can be controlled by controlling the size of the dot. Ironically, the ground-state energy levels are inversely proportional to the size of the quantum dots. We have prepared a variety of quantum dots using the typical organometallic synthesis routes pioneered by Ba Wendi et al., in the early 1990's. The most studied quantum dots prepared by this method have been of CdSe. To produce these dots, researchers inject a syringe of the desired organometallic precursors into heated triocytlphosphine oxide (TOPO) that has been vigorously stirred under an inert atmosphere (see the following figure). The solution immediately begins to change from colorless to yellow, then orange and red/brown, as the quantum dots increase in size. When the desired size is reached, the heat is removed from the flask. Quantum dots of different sizes can be identified by placing them under a "black light" and observing the various color differences in

  10. Spatially resolved photoluminescence spectroscopy of quantum dots

    NASA Astrophysics Data System (ADS)

    Dybiec, Maciej

    Recent advancements in nanotechnology create a need for a better understanding of the underlying physical processes that lead to the different behavior of nanoscale structures in comparison to bulk materials. The influence of the surrounding environment on the physical and optical properties of nanoscale objects embedded inside them is of particular interest. This research is focused on the optical properties of semiconductor quantum dots which are zero-dimensional nanostructures. There are many investigation techniques for measuring the local parameters and structural characteristics of Quantum Dot structures. They include X-ray diffraction, Transmission Electron Microscopy, Wavelength Dispersive Spectroscopy, etc. However, none of these is suitable for the study of large areas of quantum dots matrices and substrates. The existence of spatial inhomogeneity in the quantum dots allows for a deeper and better understanding of underlying physical processes responsible in particular for the observed changes in photoluminescence (PL) characteristics. Spectroscopic PL mapping can reveal areas of improved laser performance of InAs - InGaAs quantum dots structures. Establishing physical mechanisms responsible for two different types of spatial PL inhomogeneity in InAs/InGaAs quantum dots structures for laser applications was the first objective of this research. Most of the bio-applications of semiconductor quantum dots utilize their superior optical properties over organic fluorophores. Therefore, optimization of QD labeling performance with biomolecule attachment was another focus of this research. Semiconductor quantum dots suspended in liquids were investigated, especially the influence of surrounding molecules that may be attached or bio-conjugated to the quantum dots for specific use in biological reactions on the photoluminescence spectrum. Provision of underlying physical mechanisms of optical property instability of CdSe/ZnS quantum dots used for biological

  11. Etude structurale et vibrationnelle d’un nouveau composé complexe de cobalt: [Co(imidazole)4Cl]Cl

    PubMed Central

    Derbel, Amira; Mhiri, Tahar; Graia, Mohsen

    2015-01-01

    In the title complex, chlorido­tetra­kis­(1H-imidazole-κN 3)cobalt(II) chloride, [CoCl(C3H4N2)4]Cl, the CoII cation has a distorted square-pyramidal coordination environment. It is coordinated by four N atoms of four imidazole (Im) groups in the basal plane, and by a Cl atom in the apical position. It is isostructural with [Cu(Im)4Cl]Cl [Morzyk-Ociepa et al. (2012 ▸). J. Mol. Struct. 1028, 49–56] and [Cu(Im)4Br]Br [Hossaini Sadr et al. (2004 ▸). Acta Cryst. E60, m1324–m1326]. In the crystal, the [CoCl(C3H4N2)4]+ cations and Cl− anions are linked via N—H⋯Cl hydrogen bonds, forming layers parallel to (010). These layers are linked via C—H⋯Cl hydrogen bonds and C—H⋯π and π–π [inter-centroid distance = 3.794 (2) Å] inter­actions, forming a three-dimensional framework. The IR spectrum shows vibrational bands typical for imidazol groups. The monoclinic unit cell of the title compound emulates an ortho­rhom­bic cell as its β angle is close to 90°. The crystal is twinned, with the refined ratio of twin components being 0.569 (1):0.431 (1). PMID:26594402

  12. Energies and wave functions of an off-centre donor in hemispherical quantum dot: Two-dimensional finite difference approach and ritz variational principle

    NASA Astrophysics Data System (ADS)

    Nakra Mohajer, Soukaina; El Harouny, El Hassan; Ibral, Asmaa; El Khamkhami, Jamal; Assaid, El Mahdi

    2016-09-01

    Eigenvalues equation solutions of a hydrogen-like donor impurity, confined in a hemispherical quantum dot deposited on a wetting layer and capped by an insulating matrix, are determined in the framework of the effective mass approximation. Conduction band alignments at interfaces between quantum dot and surrounding materials are described by infinite height barriers. Ground and excited states energies and wave functions are determined analytically and via one-dimensional finite difference approach in case of an on-center donor. Donor impurity is then moved from center to pole of hemispherical quantum dot and eigenvalues equation is solved via Ritz variational principle, using a trial wave function where Coulomb attraction between electron and ionized donor is taken into account, and by two-dimensional finite difference approach. Numerical codes developed enable access to variations of donor total energy, binding energy, Coulomb correlation parameter, spatial extension and radial probability density with respect to hemisphere radius and impurity position inside the quantum dot.

  13. Effects of TiCl4 treatment on the performance of CdSe/CdS-sensitised solar cells

    NASA Astrophysics Data System (ADS)

    Ahmed, Rasin; Bell, John; Wang, Hongxia

    2013-08-01

    Due to their high light absorption, size dependent bandgap and low material usage and low cost of fabrication, quantum dots (QDs) are a close second to the conventionally used dyes for the dye-sensitised solar cells (DSCs). TiCl4 treatment is one of the typical methods used to treat the anode or the working electrode of DSCs for performance improvement. In this work, the effect of TiCl4 treatment on the performance of CdSe/CdS-sensitised solar cells was studied. The devices made without TiCl4 treatment, perform with a moderate 1.83% efficiency under AM1.5, 1 sun illumination conditions. In contrast, TiCl4 treated working electrodes helps to enhance the cell efficiency to 3.98%, mainly from a higher photocurrent density (15.4 mAcm-2) and fill factor (0.51). Higher loading of the quantum dots in the working electrode and passivation effect due to TiCl4 treatment are believed to be responsible performance improvement.

  14. Role of Surface Termination on Hot Electron Relaxation in Silicon Quantum Dots: A First-Principles Dynamics Simulation Study.

    PubMed

    Reeves, Kyle G; Schleife, André; Correa, Alfredo A; Kanai, Yosuke

    2015-10-14

    The role of surface termination on phonon-mediated relaxation of an excited electron in quantum dots was investigated using first-principles simulations. The surface terminations of a silicon quantum dot with hydrogen and fluorine atoms lead to distinctively different relaxation behaviors, and the fluorine termination shows a nontrivial relaxation process. The quantum confined electronic states are significantly affected by the surface of the quantum dot, and we find that a particular electronic state dictates the relaxation behavior through its infrequent coupling to neighboring electronic states. Dynamical fluctuation of this electronic state results in a slow shuttling behavior within the manifold of unoccupied electronic states, controlling the overall dynamics of the excited electron with its characteristic frequency of this shuttling behavior. The present work revealed a unique role of surface termination, dictating the hot electron relaxation process in quantum-confined systems in the way that has not been considered previously. PMID:26331672

  15. Optophononics with coupled quantum dots.

    PubMed

    Kerfoot, Mark L; Govorov, Alexander O; Czarnocki, Cyprian; Lu, Davis; Gad, Youstina N; Bracker, Allan S; Gammon, Daniel; Scheibner, Michael

    2014-01-01

    Modern technology is founded on the intimate understanding of how to utilize and control electrons. Next to electrons, nature uses phonons, quantized vibrations of an elastic structure, to carry energy, momentum and even information through solids. Phonons permeate the crystalline components of modern technology, yet in terms of technological utilization phonons are far from being on par with electrons. Here we demonstrate how phonons can be employed to render a single quantum dot pair optically transparent. This phonon-induced transparency is realized via the formation of a molecular polaron, the result of a Fano-type quantum interference, which proves that we have accomplished making typically incoherent and dissipative phonons behave in a coherent and non-dissipative manner. We find the transparency to be widely tunable by electronic and optical means. Thereby we show amplification of weakest coupling channels. We further outline the molecular polaron's potential as a control element in phononic circuitry architecture. PMID:24534815

  16. Quantum dots and prion proteins

    PubMed Central

    Sobrova, Pavlina; Blazkova, Iva; Chomoucka, Jana; Drbohlavova, Jana; Vaculovicova, Marketa; Kopel, Pavel; Hubalek, Jaromir; Kizek, Rene; Adam, Vojtech

    2013-01-01

    A diagnostics of infectious diseases can be done by the immunologic methods or by the amplification of nucleic acid specific to contagious agent using polymerase chain reaction. However, in transmissible spongiform encephalopathies, the infectious agent, prion protein (PrPSc), has the same sequence of nucleic acids as a naturally occurring protein. The other issue with the diagnosing based on the PrPSc detection is that the pathological form of prion protein is abundant only at late stages of the disease in a brain. Therefore, the diagnostics of prion protein caused diseases represent a sort of challenges as that hosts can incubate infectious prion proteins for many months or even years. Therefore, new in vivo assays for detection of prion proteins and for diagnosis of their relation to neurodegenerative diseases are summarized. Their applicability and future prospects in this field are discussed with particular aim at using quantum dots as fluorescent labels. PMID:24055838

  17. DEVELOPMENT OF A CL-IMPREGNATED ACTIVATED CARBON FOR ENTRAINED-FLOW CAPTURE OF ELEMENTAL MERCURY

    EPA Science Inventory

    Efforts to discern the role of an activated carbon's surface functional groups on the adsorption of elemental mercury [Hg(0)] and mercuric chloride demonstrated that chlorine (Cl) impregnation of a virgin activated carbon using dilute solutions of hydrogen chloride leads to incre...

  18. Investigation of the Hydrochlorination of SiCl4

    NASA Technical Reports Server (NTRS)

    Mui, J. Y. P.

    1983-01-01

    The hydrochlorination of silicon tetrachloride with hydrogen and metallurgical grade (m.g.) silicon metal, 3 SiCl4 + 2 H2 + Si yields 4 SiHCl3 was shown to be an efficient process to produce trichlorosilane. A research and development program was carried out to study the hydrochlorination reaction over a wide range of reaction conditions. Equilibrium constant and reaction kinetics measurements were made to provide the basis for a theoretical study on the hydrochlorination process. Thermodynamic properties of the hydrochlorination reaction were also measured. The effects of temperature, pressure, and concentration on the equilibrium constant, K sub p, were studied.

  19. A simple turn on fluorescent sensor for the selective detection of thiamine using coconut water derived luminescent carbon dots.

    PubMed

    Purbia, Rahul; Paria, Santanu

    2016-05-15

    In this study microwave-assisted hydrothermal method was used to prepare highly luminescent carbon dots (1-6 nm size) within a minute from tender coconut (Cocos nucifera) water. The synthesized carbon dots (C-dots) exhibit emission of blue and green lights while excited at 390 and 450 nm wavelengths, respectively. As an application, these C-dots were tested for a simple "turn on" fluorescent sensor for rapid detection of thiamine (vitamin B1). The detection of thiamine in human body is very important to prevent various diseases such as beriberi, neurological disorders, optic neuropathy, etc. The fluorescence emission intensity of C-dots quenches after addition of Cu(2+) ion and then again increases selectively (turn on) after the addition of thiamine. The fluorescence emission intensity enhancement of Cu(2+) ion modified C-dots in the presence of thiamine exhibits a linear relationship within the thiamine concentration range of 10-50 μM. The limit of detection was found to be 280 nM from this study. The selectivity of the detection was also tested in the presence of different organic molecules and inorganic ions (Ca(2+), Mg(2+), Na(+), K(+), Cl(-), SO4(2-), and NO3(-)) which are present in blood serum and urine and found to be almost no interference in the detection. Finally, to see the applicability in real samples a commercial vitamin capsule was tested and found less than 3% error in the detected concentration. The C-dots were also used for bioimaging of fungus and the results show they are also suitable for this application too. PMID:26745793

  20. Mechanochemical hydrogenation of coal

    DOEpatents

    Yang, Ralph T.; Smol, Robert; Farber, Gerald; Naphtali, Leonard M.

    1981-01-01

    Hydrogenation of coal is improved through the use of a mechanical force to reduce the size of the particulate coal simultaneously with the introduction of gaseous hydrogen, or other hydrogen donor composition. Such hydrogen in the presence of elemental tin during this one-step size reduction-hydrogenation further improves the yield of the liquid hydrocarbon product.

  1. Nanomaterials: Earthworms lit with quantum dots

    NASA Astrophysics Data System (ADS)

    Tilley, Richard D.; Cheong, Soshan

    2013-01-01

    Yeast, bacteria and fungi have been used to synthesize a variety of nanocrystals. Now, the metal detoxification process in the gut of an earthworm is exploited to produce biocompatible cadmium telluride quantum dots.

  2. Electronic spectrum of non-tetrahedral acceptors in CdTe:Cl and CdTe:Bi,Cl single crystals

    NASA Astrophysics Data System (ADS)

    Krivobok, V. S.; Nikolaev, S. N.; Bagaev, V. S.; Pruchkina, A. A.; Onishchenko, E. E.; Kolosov, S. A.; Klevkov, Yu. V.; Skorikov, M. L.

    2016-02-01

    The electronic spectra of complex acceptors in compensated CdTe:Cl, CdTe:Ag,Cl, and CdTe:Bi,Cl single crystals are studied using low-temperature photoluminescence (PL) measurements under both nonresonant and resonant excitation of distant donor-acceptor pairs (DAP). The wavelength modulation of the excitation source combined with the analysis of the differential PL signal is used to enhance narrow spectral features obscured because of inhomogeneous line broadening and/or excitation transfer for selectively excited DAPs. For the well-known tetrahedral (TD) AgCd acceptor, the energies of four excited states are measured, and the values obtained are shown to be in perfect agreement with the previous data. Moreover, splitting between the 2P3/2 (D8) and 2S3/2 (D8) states is clearly observed for AgCd centers located at a short distance (5-7 nm) from a hydrogen-like donor (ClTe). This splitting results from the reduction of the TD symmetry taking place when the acceptor is a member of a donor-acceptor pair. For the Cl-related complex acceptor with an activation energy of ˜121 meV (A-center), the energies of eight excited states are measured. It is shown that this defect produces low-symmetry central-cell correction responsible for the strong splitting of S-like TD shells. The energy spectrum of the Bi-related shallow acceptor with an activation energy of ˜36 meV is measured as well. The spectrum obtained differs drastically from the hydrogen-like set of levels, which indicates the existence of repulsive low-symmetry perturbation of the hydrogen-like Coulomb potential. It is also shown that the spectra of selectively excited PL recorded for a macroscopic ensemble of distant donor-acceptor pairs allow one to detect the low symmetry of acceptors of a given type caused by their complex nature or by the Jahn-Teller distortion. This method does not require any additional (external) field and is applicable to acceptors in diverse zinc-blende compound semiconductors.

  3. Hydrogenation of GaSb/GaAs quantum rings

    SciTech Connect

    Hodgson, P. D. Hayne, M.; Zhuang, Q. D.; Ahmad Kamarudin, M.; Birindelli, S.; Capizzi, M.

    2014-08-25

    We present the results of photoluminescence measurements on hydrogenated type-II GaSb/GaAs quantum dot/ring (QD/QR) samples at temperatures ranging from 4.2 K to 400 K. Hydrogenation is found to suppress optically induced charge depletion (associated with the presence of carbon acceptors in this system). A redshift of the QD\\QR emission energy of a few tens of meV is observed at temperatures ≥300 K, consistent with a reduction in average occupancy by ∼1 hole. These effects are accompanied by a reduction in PL intensity post-hydrogenation. We conclude that although hydrogenation may have neutralized the carbon acceptors, multiple hole occupancy of type-II GaSb/GaAs QD/QRs is very likely a precondition for intense emission, which would make extending the wavelength significantly beyond 1300 nm at room temperature difficult.

  4. One-pot synthesis of quinazolinones via iridium-catalyzed hydrogen transfers.

    PubMed

    Zhou, Jianguang; Fang, Jie

    2011-10-01

    A one-pot oxidative cyclization of primary alcohols with o-aminobenzamides to quinazolinones was successfully achieved using [Cp*IrCl(2)](2) (Cp* = pentamethylcyclopentadienyl) as a catalyst under hydrogen transfer conditions. PMID:21851120

  5. Renormalization in Periodically Driven Quantum Dots.

    PubMed

    Eissing, A K; Meden, V; Kennes, D M

    2016-01-15

    We report on strong renormalization encountered in periodically driven interacting quantum dots in the nonadiabatic regime. Correlations between lead and dot electrons enhance or suppress the amplitude of driving depending on the sign of the interaction. Employing a newly developed flexible renormalization-group-based approach for periodic driving to an interacting resonant level we show analytically that the magnitude of this effect follows a power law. Our setup can act as a non-Markovian, single-parameter quantum pump. PMID:26824557

  6. First principle thousand atom quantum dot calculations

    SciTech Connect

    Wang, Lin-Wang; Li, Jingbo

    2004-03-30

    A charge patching method and an idealized surface passivation are used to calculate the single electronic states of IV-IV, III-V, II-VI semiconductor quantum dots up to a thousand atoms. This approach scales linearly and has a 1000 fold speed-up compared to direct first principle methods with a cost of eigen energy error of about 20 meV. The calculated quantum dot band gaps are parametrized for future references.

  7. Exploring Extragalactic Emission: The Hα Dot Survey

    NASA Astrophysics Data System (ADS)

    Rampalli, Rayna; Salzer, John Joseph

    2016-01-01

    The Hα Dot Survey was established as a result of finding point sources of strong line emission in the data obtained for the ALFALFA Hα Survey (Van Sistine et al. 2015). In the latter survey, broad-band R and narrow-band Hα filters were used to examine target galaxies from the ALFALFA blind HI survey (Giovanelli et al. 2005, Haynes et al. 2011). In the process of reducing the ALFALFA Hα Survey data the "Hα Dots" were discovered (Kellar et al. 2008, 2012). Using specialized image analysis tools, a large population of dots has already been detected in the more than 1500 ALFALFA Hα narrow-band images taken with the 0.9m WIYN and 2.1m KPNO telescopes. Follow-up spectra of over 200 Hα Dots discovered from the 0.9m images reveal that these objects are a mix of nearby low-luminosity star-forming galaxies, compact starbursts and Seyfert 2 galaxies at intermediate redshifts, and high-redshift QSOs. Here we present the first list of Hα Dots detected using 2.1m telescope data. The 2.1m images yield a sample of Dots that average almost two magnitudes fainter than those detected with the 0.9m. The current REU project is designed to characterize the set of Hα Dots detected in the deeper 2.1m telescope images, while the broad goals of the Hα Dot Survey include the desire to understand better the chemical evolution of galaxies over cosmic time. This project was supported in part by the NSF REU grant 1358980, by the Maria Mitchell Association (Nantucket, MA), and by the Massachusetts Space Grant Consortium.

  8. Electron Spin Dynamics in Semiconductor Quantum Dots

    SciTech Connect

    Marie, X.; Belhadj, T.; Urbaszek, B.; Amand, T.; Krebs, O.; Lemaitre, A.; Voisin, P.

    2011-07-15

    An electron spin confined to a semiconductor quantum dot is not subject to the classical spin relaxation mechanisms known for free carriers but it strongly interacts with the nuclear spin system via the hyperfine interaction. We show in time resolved photoluminescence spectroscopy experiments on ensembles of self assembled InAs quantum dots in GaAs that this interaction leads to strong electron spin dephasing.

  9. Ab Initio and RRKM Study of the Reaction of ClO with HOCO Radicals

    NASA Astrophysics Data System (ADS)

    Yu, Hua-Gen; Francisco, Joseph S.

    2009-10-01

    The reaction pathways for the ClO + HOCO reaction have been explored using the coupled-cluster method to locate and optimize the critical points on the ground-state potential-energy surface. Results show that the ClO + HOCO reaction can produce Cl + HOC(O)O, HOCl + CO2, HCl + CO3, and HClO + CO2 via an addition or a direct hydrogen abstraction reaction mechanism. The reaction kinetics has been studied using the variational RRKM theory. It is found that the ClO + HOCO reaction is fast and has a negative temperature dependence at low temperatures. At room temperature, the thermal rate coefficient is obtained as 4.26 × 10-12 cm3 molecules-1 s-1 with product branching fractions of Cl (0.518), HOCl (0.469), HCl (0.01), and HClO (0.003) at zero pressure. The Cl + HOC(O)O products are major, compared to the HOCl + CO2 products, because of the loose transition state along the dissociation pathway to eliminate Cl. In addition, the RRKM/master equation simulations indicate that the stabilization of the HOC(O)OCl intermediates is noticeable at moderate pressures as its thermal rate constants reach about 6.0 × 10-13 cm3 molecules-1 s-1. In contrast, the other product branching ratios for the ClO + HOCO reaction are weakly dependent on pressure.

  10. Thermochemical cycles for the production of hydrogen

    DOEpatents

    Steinberg, M.; Dang, V.D.

    Two-step processes for the preparation of hydrogen are described: CrCl/sub 3/(g) ..-->.. CrCl/sub 2/(g) + 1/2Cl/sub 2/(g) and CrCl/sub 2/(s) + HCl(g) reversible CrCl/sub 3/(s) + 1/2H/sub 2/(g); UCl/sub 4/(g) ..-->.. UCl/sub 3/(g) + 1/2Cl/sub 2/(g) and UCl/sub 3/(s) + HCl(g) ..-->.. UCl/sub 4/(s) + 1/2H/sub 2/(g); and CaSO/sub 4/(s) ..-->.. CaO(s) + SO/sub 2/(g) + 1/2O/sub 2/(g) and CaO(s) + SO/sub 2/(g) + H/sub 2/O(l) ..-->.. CaSO/sub 4/(s) + H/sub 2/(g). The high temperature available from solar collectors, high temperature gas reactors or fusion reactors is utilized in the first step in which the reaction is endothermic. The efficiency is at least 60% and with process heat recovery, the efficiency may be increased up to 74.4%. An apparatus fr carrying out the process in conjunction with a fusion reactor, is described.

  11. Electrical control of quantum dot spin qubits

    NASA Astrophysics Data System (ADS)

    Laird, Edward Alexander

    This thesis presents experiments exploring the interactions of electron spins with electric fields in devices of up to four quantum dots. These experiments are particularly motivated by the prospect of using electric fields to control spin qubits. A novel hyperfine effect on a single spin in a quantum dot is presented in Chapter 2. Fluctuations of the nuclear polarization allow single-spin resonance to be driven by an oscillating electric field. Spin resonance spectroscopy revealed a nuclear polarization built up inside the quantum dot device by driving the resonance. The evolution of two coupled spins is controlled by the combination of hyperfine interaction, which tends to cause spin dephasing, and exchange, which tends to prevent it. In Chapter 3, dephasing is studied in a device with tunable exchange, probing the crossover between exchange-dominated and hyperfine-dominated regimes. In agreement with theoretical predictions, oscillations of the spin conversion probability and saturation of dephasing are observed. Chapter 4 deals with a three-dot device, suggested as a potential qubit controlled entirely by exchange. Preparation and readout of the qubit state are demonstrated, together with one out of two coherent exchange operations needed for arbitrary manipulations. A new readout technique allowing rapid device measurement is described. In Chapter 5, an attempt to make a two-qubit gate using a four-dot device is presented. Although spin qubit operation has not yet been possible, the electrostatic interaction between pairs of dots was measured to be sufficient in principle for coherent qubit coupling.

  12. Quantum-dot-in-perovskite solids.

    PubMed

    Ning, Zhijun; Gong, Xiwen; Comin, Riccardo; Walters, Grant; Fan, Fengjia; Voznyy, Oleksandr; Yassitepe, Emre; Buin, Andrei; Hoogland, Sjoerd; Sargent, Edward H

    2015-07-16

    Heteroepitaxy-atomically aligned growth of a crystalline film atop a different crystalline substrate-is the basis of electrically driven lasers, multijunction solar cells, and blue-light-emitting diodes. Crystalline coherence is preserved even when atomic identity is modulated, a fact that is the critical enabler of quantum wells, wires, and dots. The interfacial quality achieved as a result of heteroepitaxial growth allows new combinations of materials with complementary properties, which enables the design and realization of functionalities that are not available in the single-phase constituents. Here we show that organohalide perovskites and preformed colloidal quantum dots, combined in the solution phase, produce epitaxially aligned 'dots-in-a-matrix' crystals. Using transmission electron microscopy and electron diffraction, we reveal heterocrystals as large as about 60 nanometres and containing at least 20 mutually aligned dots that inherit the crystalline orientation of the perovskite matrix. The heterocrystals exhibit remarkable optoelectronic properties that are traceable to their atom-scale crystalline coherence: photoelectrons and holes generated in the larger-bandgap perovskites are transferred with 80% efficiency to become excitons in the quantum dot nanocrystals, which exploit the excellent photocarrier diffusion of perovskites to produce bright-light emission from infrared-bandgap quantum-tuned materials. By combining the electrical transport properties of the perovskite matrix with the high radiative efficiency of the quantum dots, we engineer a new platform to advance solution-processed infrared optoelectronics. PMID:26178963

  13. Quantum-dot-in-perovskite solids

    NASA Astrophysics Data System (ADS)

    Ning, Zhijun; Gong, Xiwen; Comin, Riccardo; Walters, Grant; Fan, Fengjia; Voznyy, Oleksandr; Yassitepe, Emre; Buin, Andrei; Hoogland, Sjoerd; Sargent, Edward H.

    2015-07-01

    Heteroepitaxy--atomically aligned growth of a crystalline film atop a different crystalline substrate--is the basis of electrically driven lasers, multijunction solar cells, and blue-light-emitting diodes. Crystalline coherence is preserved even when atomic identity is modulated, a fact that is the critical enabler of quantum wells, wires, and dots. The interfacial quality achieved as a result of heteroepitaxial growth allows new combinations of materials with complementary properties, which enables the design and realization of functionalities that are not available in the single-phase constituents. Here we show that organohalide perovskites and preformed colloidal quantum dots, combined in the solution phase, produce epitaxially aligned `dots-in-a-matrix' crystals. Using transmission electron microscopy and electron diffraction, we reveal heterocrystals as large as about 60 nanometres and containing at least 20 mutually aligned dots that inherit the crystalline orientation of the perovskite matrix. The heterocrystals exhibit remarkable optoelectronic properties that are traceable to their atom-scale crystalline coherence: photoelectrons and holes generated in the larger-bandgap perovskites are transferred with 80% efficiency to become excitons in the quantum dot nanocrystals, which exploit the excellent photocarrier diffusion of perovskites to produce bright-light emission from infrared-bandgap quantum-tuned materials. By combining the electrical transport properties of the perovskite matrix with the high radiative efficiency of the quantum dots, we engineer a new platform to advance solution-processed infrared optoelectronics.

  14. Luminescent Quantum Dots as Ultrasensitive Biological Labels

    NASA Astrophysics Data System (ADS)

    Nie, Shuming

    2000-03-01

    Highly luminescent semiconductor quantum dots have been covalently coupled to biological molecules for use in ultrasensitive biological detection. This new class of luminescent labels is considerably brighter and more resistant againt photobleaching in comparison with organic dyes. Quantum dots labeled with the protein transferrin undergo receptor-mediated endocytosis (RME) in cultured HeLa cells, and those dots that were conjugated to immunomolecules recognize specific antibodies or antigens. In addition, we show that DNA functionalized quantum dots can be used to target specific genes by hybridization. We expect that quantum dot bioconjugates will have a broad range of biological applications, such as ligand-receptor interactions, real-time monitoring of molecular trafficking inside living cells, multicolor fluorescence in-situ hybridization (FISH), high-sensitivity detection in miniaturized devices (e.g., DNA chips), and fluorescent tagging of combinatorial chemical libraries. A potential clinical application is the use of quantum dots for ultrasensitive viral RNA detection, in which as low as 100 copies of hepatitis C and HIV viruses per ml blood should be detected.

  15. Formation and ordering of epitaxial quantum dots

    NASA Astrophysics Data System (ADS)

    Atkinson, Paola; Schmidt, Oliver G.; Bremner, Stephen P.; Ritchie, David A.

    2008-10-01

    Single quantum dots (QDs) have great potential as building blocks for quantum information processing devices. However, one of the major difficulties in the fabrication of such devices is the placement of a single dot at a pre-determined position in the device structure, for example, in the centre of a photonic cavity. In this article we review some recent investigations in the site-controlled growth of InAs QDs on GaAs by molecular beam epitaxy. The method we use is ex-situ patterning of the GaAs substrate by electron beam lithography and conventional wet or dry etching techniques to form shallow pits in the surface which then determine the nucleation site of an InAs dot. This method is easily scalable and can be incorporated with marker structures to enable simple post-growth lithographic alignment of devices to each site-controlled dot. We demonstrate good site-control for arrays with up to 10 micron spacing between patterned sites, with no dots nucleating between the sites. We discuss the mechanism and the effect of pattern size, InAs deposition amount and growth conditions on this site-control method. Finally we discuss the photoluminescence from these dots and highlight the remaining challenges for this technique. To cite this article: P. Atkinson et al., C. R. Physique 9 (2008).

  16. Hydrogen peroxide poisoning

    MedlinePlus

    ... peroxide is used in these products: Hydrogen peroxide Hair bleach Some contact lens cleaners Note: Household hydrogen peroxide ... it contains 97% water and 3% hydrogen peroxide. Hair bleaches are stronger. They usually have a concentration of ...

  17. Double-walled carbon nanotubes synthesized using carbon black as the dot carbon source

    NASA Astrophysics Data System (ADS)

    Chen, Zhi-Gang; Li, Feng; Ren, Wen-Cai; Cong, Hongtao; Liu, Chang; Qing Lu, Gao; Cheng, Hui-Ming

    2006-07-01

    Double-walled carbon nanotubes (DWNTs) were synthesized used carbon black as the dot carbon source by a semi-continuous hydrogen arc discharge process. High-resolution transmission electron microscopy (HRTEM) observations revealed that most of the tubes were DWNTs with outer and inner diameters in the range of 2.67-4 nm and 1.96-3.21 nm, respectively. Most of the DWNTs were in a bundle form of about 10-30 nm in diameter with high purity (about 70%) from thermal gravimetric analysis (TGA), resonant laser Raman spectroscopy, scanning electron microscopy (SEM) and TEM characterizations. It was found that carbon black as the dot carbon source could be easy controlled to synthesize one type of nanotube. A simple process combining oxidation and acid treatment to purify the DWNT bundles was used without damaging the bundles. The structure of carbon black, as the key element for influencing purity, bundle formation and purification of DWNTs, is discussed.

  18. Photo-driven autonomous hydrogen generation system based on hierarchically shelled ZnO nanostructures

    SciTech Connect

    Kim, Heejin; Yong, Kijung

    2013-11-25

    A quantum dot semiconductor sensitized hierarchically shelled one-dimensional ZnO nanostructure has been applied as a quasi-artificial leaf for hydrogen generation. The optimized ZnO nanostructure consists of one dimensional nanowire as a core and two-dimensional nanosheet on the nanowire surface. Furthermore, the quantum dot semiconductors deposited on the ZnO nanostructures provide visible light harvesting properties. To realize the artificial leaf, we applied the ZnO based nanostructure as a photoelectrode with non-wired Z-scheme system. The demonstrated un-assisted photoelectrochemical system showed the hydrogen generation properties under 1 sun condition irradiation. In addition, the quantum dot modified photoelectrode showed 2 mA/cm{sup 2} current density at the un-assisted condition.

  19. Silicon quantum dots for optical applications

    NASA Astrophysics Data System (ADS)

    Wu, Jeslin J.

    Luminescent silicon quantum dots (SiQDs) are emerging as attractive materials for optoelectronic devices, third generation photovoltaics, and bioimaging. Their applicability in the real world is contingent on their optical properties and long-term environmental stability; and in biological applications, factors such as water solubility and toxicity must also be taken into consideration. The aforementioned properties are highly dependent on the QDs' surface chemistry. In this work, SiQDs were engineered for the respective applications using liquid-phase and gas-phase functionalization techniques. Preliminary work in luminescent downshifting for photovoltaic systems are also reported. Highly luminescent SiQDs were fabricated by grafting unsaturated hydrocarbons onto the surface of hydrogen-terminated SiQDs via thermal and photochemical hydrosilylation. An industrially attractive, all gas-phase, nonthermal plasma synthesis, passivation (aided by photochemical reactions), and deposition process was also developed to reduce solvent waste. With photoluminescence quantum yields (PLQYs) nearing 60 %, the alkyl-terminated QDs are attractive materials for optical applications. The functionalized SiQDs also exhibited enhanced thermal stability as compared to their unfunctionalized counterparts, and the photochemically-hydrosilylated QDs further displayed photostability under UV irradiation. These environmentally-stable SiQDs were used as luminescent downshifting layers in photovoltaic systems, which led to enhancements in the blue photoresponse of heterojunction solar cells. Furthermore, the QD films demonstrated antireflective properties, improving the coupling efficiency of sunlight into the cell. For biological applications, oxide, amine, or hydroxyl groups were grafted onto the surface to create water-soluble SiQDs. Luminescent, water-soluble SiQDs were produced in by microplasma treating the QDs in water. Stable QYs exceeding 50 % were obtained. Radical-based and

  20. Cl atom initiated oxidation of 1-alkenes under atmospheric conditions

    NASA Astrophysics Data System (ADS)

    Walavalkar, M.; Sharma, A.; Alwe, H. D.; Pushpa, K. K.; Dhanya, S.; Naik, P. D.; Bajaj, P. N.

    2013-03-01

    In view of the importance of the oxidation pathways of alkenes in the troposphere, and the significance of Cl atom as an oxidant in marine boundary layer (MBL) and polluted industrial atmosphere, the reactions of four 1-alkenes (C6-C9) with Cl atoms are investigated. The rate coefficients at 298 K are measured to be (4.0 ± 0.5), (4.4 ± 0.7), (5.5 ± 0.9) and (5.9 ± 1.7) × 10-10 cm3 molecule-1 s-1 for 1-hexene, 1-heptene, 1-octene and 1-nonene, respectively. The quoted errors include the experimental 2σ, along with the error in the reference rate coefficients. From the systematic increase in the rate coefficients with the number of carbon atoms, an approximate value for the average rate coefficient for hydrogen abstraction per CH2 group in alkenes is estimated to be (4.9 ± 0.3) × 10-11 cm3 molecule-1 s-1. Based on these rate coefficients, the contribution of Cl atom reactions towards the degradation of these molecules is found to be comparable to that of OH radical reactions, under MBL conditions. The products identified in gas phase indicate that Cl atom addition occurs mainly at the terminal carbon, leading to the formation of 1-chloro-2-ketones and 1-chloro-2-ols. The major gas phase products from the alkenyl radicals (formed by H atom abstraction) are different positional isomers of long chain enols and enones. A preference for dissociation leading to an allyl radical, resulting in aldehydes, lower by three carbon atoms, is indicated. The observed relative yields suggest that in general, the increased contribution of the reactions of Cl atoms towards degradation of 1-alkenes in NOx free air does not result in an increase in the generation of small aldehydes (carbon number < 4), including chloroethanal, as compared to that in the reaction of 1-butene.

  1. Comparison of two methods for selegiline determination: A flow-injection chemiluminescence method using cadmium sulfide quantum dots and corona discharge ion mobility spectrometry

    NASA Astrophysics Data System (ADS)

    Khataee, Alireza; Lotfi, Roya; Hasanzadeh, Aliyeh; Iranifam, Mortaza; Zarei, Mahmoud; Joo, Sang Woo

    2016-01-01

    Two analytical approaches including chemiluminescence (CL) and corona discharge ionization ion mobility spectrometry (CD-IMS) were developed for sensitive determination of selegiline (SG). We found that the CL intensity of the KMnO4-Na2S2O3 CL system was significantly enhanced in the presence of L-cysteine capped CdS quantum dots (QDs). A possible CL mechanism for this CL reaction is proposed. In the presence of SG, the enhanced CL system was inhibited. Based on this inhibition, a simple and sensitive flow-injection CL method was proposed for the determination of SG. Under optimum experimental conditions, the decreased CL intensity was proportional to SG concentration in the range of 0.01 to 30.0 mg L- 1. The detection limit (3σ) was 0.004 mg L- 1. Also, SG was determined using CD-IMS, and under optimum conditions of CD-IMS, calibration curves were linear in the range of 0.15 to 42.0 mg L- 1, with a detection limit (3σ) of 0.03 mg L- 1. The precision of the two methods was calculated by analyzing samples containing 5.0 mg L- 1 of SG (n = 11). The relative standard deviations (RSDs%) of the flow-injection CL and CD-IMS methods are 2.17% and 3.83%, respectively. The proposed CL system exhibits a higher sensitivity and precision than the CD-IMS method for the determination of SG.

  2. Low Gate Voltage Operated Multi-emitter-dot H+ Ion-Sensitive Gated Lateral Bipolar Junction Transistor

    NASA Astrophysics Data System (ADS)

    Yuan, Heng; Zhang, Ji-Xing; Zhang, Chen; Zhang, Ning; Xu, Li-Xia; Ding, Ming; Patrick, J. Clarke

    2015-02-01

    A low gate voltage operated multi-emitter-dot gated lateral bipolar junction transistor (BJT) ion sensor is proposed. The proposed device is composed of an arrayed gated lateral BJT, which is driven in the metal-oxide-semiconductor field-effect transistor (MOSFET)-BJT hybrid operation mode. Further, it has multiple emitter dots linked to each other in parallel to improve ionic sensitivity. Using hydrogen ionic solutions as reference solutions, we conduct experiments in which we compare the sensitivity and threshold voltage of the multi-emitter-dot gated lateral BJT with that of the single-emitter-dot gated lateral BJT. The multi-emitter-dot gated lateral BJT not only shows increased sensitivity but, more importantly, the proposed device can be operated under very low gate voltage, whereas the conventional ion-sensitive field-effect transistors cannot. This special characteristic is significant for low power devices and for function devices in which the provision of a gate voltage is difficult.

  3. Porous palladium coated conducting polymer nanoparticles for ultrasensitive hydrogen sensors.

    PubMed

    Lee, Jun Seop; Kim, Sung Gun; Cho, Sunghun; Jang, Jyongsik

    2015-12-28

    Hydrogen, a clean-burning fuel, is of key importance to various industrial applications, including fuel cells and in the aerospace and automotive industries. However, hydrogen gas is odorless, colorless, and highly flammable; thus appropriate safety protocol implementation and monitoring are essential. Highly sensitive hydrogen leak detection and surveillance sensor systems are needed; additionally, the ability to maintain uniformity through repetitive hydrogen sensing is becoming increasingly important. In this report, we detail the fabrication of porous palladium coated conducting polymer (3-carboxylate polypyrrole) nanoparticles (Pd@CPPys) to detect hydrogen gas. The Pd@CPPys are produced by means of facile alkyl functionalization and chemical reduction of a pristine 3-carboxylate polypyrrole nanoparticle-contained palladium precursor (PdCl(2)) solution. The resulting Pd@CPPy-based sensor electrode exhibits ultrahigh sensitivity (0.1 ppm) and stability toward hydrogen gas at room temperature due to the palladium sensing layer. PMID:26598964

  4. Novel cookie-with-chocolate carbon dots displaying extremely acidophilic high luminescence

    NASA Astrophysics Data System (ADS)

    Lu, Siyu; Zhao, Xiaohuan; Zhu, Shoujun; Song, Yubin; Yang, Bai

    2014-10-01

    A fluorescent carbon dot with a cookie-with-chocolate film structure (about 5 × 5 μm2) showed a high fluorescence quantum yield (61.12%) at low pH. It was hydrothermally synthesized from l-serine and l-tryptophan. The formation mechanism of the film with carbon dots (CDs) was investigated. The film structure was formed by hydrogen bonding and π-π stacking interactions between aromatic rings. The strong blue fluorescence of the CDs increased under strong acidic conditions owing to the changes in the N-groups. These cookie-like CDs are attractive for their potential use as effective fluorescent probes for the sensitive detection of aqueous H+ and Fe3+.A fluorescent carbon dot with a cookie-with-chocolate film structure (about 5 × 5 μm2) showed a high fluorescence quantum yield (61.12%) at low pH. It was hydrothermally synthesized from l-serine and l-tryptophan. The formation mechanism of the film with carbon dots (CDs) was investigated. The film structure was formed by hydrogen bonding and π-π stacking interactions between aromatic rings. The strong blue fluorescence of the CDs increased under strong acidic conditions owing to the changes in the N-groups. These cookie-like CDs are attractive for their potential use as effective fluorescent probes for the sensitive detection of aqueous H+ and Fe3+. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr03965c

  5. Hydrogen Permeation Barrier Coatings

    SciTech Connect

    Henager, Charles H.

    2008-01-01

    Gaseous hydrogen, H2, has many physical properties that allow it to move rapidly into and through materials, which causes problems in keeping hydrogen from materials that are sensitive to hydrogen-induced degradation. Hydrogen molecules are the smallest diatomic molecules, with a molecular radius of about 37 x 10-12 m and the hydrogen atom is smaller still. Since it is small and light it is easily transported within materials by diffusion processes. The process of hydrogen entering and transporting through a materials is generally known as permeation and this section reviews the development of hydrogen permeation barriers and barrier coatings for the upcoming hydrogen economy.

  6. Hydrogen embrittlement in nickel-hydrogen cells

    NASA Technical Reports Server (NTRS)

    Gross, Sidney

    1989-01-01

    It was long known that many strong metals can become weakened and brittle as the result of the accumulation of hydrogen within the metal. When the metal is stretched, it does not show normal ductile properties, but fractures prematurely. This problem can occur as the result of a hydrogen evolution reaction such as corrosion or electroplating, or due to hydrogen in the environment at the metal surface. High strength alloys such as steels are especially susceptible to hydrogen embrittlement. Nickel-hydrogen cells commonly use Inconel 718 alloy for the pressure container, and this also is susceptible to hydrogen embrittlement. Metals differ in their susceptibility to embrittlement. Hydrogen embrittlement in nickel-hydrogen cells is analyzed and the reasons why it may or may not occur are discussed. Although Inconel 718 can display hydrogen embrittlement, experience has not identified any problem with nickel-hydrogen cells. No hydrogen embrittlement problem is expected with the 718 alloy pressure container used in nickel-hydrogen cells.

  7. Lateral Quantum Dots for Quantum Information Processing

    NASA Astrophysics Data System (ADS)

    House, Matthew Gregory

    The possibility of building a computer that takes advantage of the most subtle nature of quantum physics has been driving a lot of research in atomic and solid state physics for some time. It is still not clear what physical system or systems can be used for this purpose. One possibility that has been attracting significant attention from researchers is to use the spin state of an electron confined in a semiconductor quantum dot. The electron spin is magnetic in nature, so it naturally is well isolated from electrical fluctuations that can a loss of quantum coherence. It can also be manipulated electrically, by taking advantage of the exchange interaction. In this work we describe several experiments we have done to study the electron spin properties of lateral quantum dots. We have developed lateral quantum dot devices based on the silicon metal-oxide-semiconductor transistor, and studied the physics of electrons confined in these quantum dots. We measured the electron spin excited state lifetime, which was found to be as long as 30 ms at the lowest magnetic fields that we could measure. We fabricated and characterized a silicon double quantum dot. Using this double quantum dot design, we fabricated devices which combined a silicon double quantum dot with a superconducting microwave resonator. The microwave resonator was found to be sensitive to two-dimensional electrons in the transistor channel, which we measured and characterized. We developed a new method for extracting information from random telegraph signals, which are produced when we observe thermal fluctuations of electrons in quantum dots. The new statistical method, based on the hidden Markov model, allows us to detect spin-dependent effects in such fluctuations even though we are not able to directly observe the electron spin. We use this analysis technique on data from two experiments involving gallium arsenide quantum dots and use it to measure spin-dependent tunneling rates. Our results advance the

  8. Intersubband absorption in CdSe/Zn{sub x}Cd{sub y}Mg{sub 1-x-y}Se self-assembled quantum dot multilayers

    SciTech Connect

    Shen, A.; Lu, H.; Charles, W.; Yokomizo, I.; Tamargo, M. C.; Franz, K. J.; Gmachl, C.; Zhang, S. K.; Zhou, X.; Alfano, R. R.; Liu, H. C.

    2007-02-12

    The authors report the observation of intersubband absorption in multilayers of CdSe/Zn{sub x}Cd{sub y}Mg{sub 1-x-y}Se self-assembled quantum dots. The samples were grown by molecular beam epitaxy on InP substrates. For samples with the CdSe dot layers doped with Cl and with the deposited CdSe equivalent layer thickness between 5.2 and 6.9 ML, peak absorption between 2.5 and 3.5 {mu}m was observed. These materials are promising for intersubband devices operating in the mid- and near-infrared ranges.

  9. (In,Mn)As multilayer quantum dot structures

    SciTech Connect

    Bouravleuv, Alexei; Sapega, Victor; Nevedomskii, Vladimir; Khrebtov, Artem; Samsonenko, Yuriy; Cirlin, George

    2014-12-08

    (In,Mn)As multilayer quantum dots structures were grown by molecular beam epitaxy using a Mn selective doping of the central parts of quantum dots. The study of the structural and magneto-optical properties of the samples with three and five layers of (In,Mn)As quantum dots has shown that during the quantum dots assembly, the out-diffusion of Mn from the layers with (In,Mn)As quantum dots can occur resulting in the formation of the extended defects. To produce a high quality structures using the elaborated technique of selective doping, the number of (In,Mn)As quantum dot layers should not exceed three.

  10. Isotope effect on the temperature dependence of the 35Cl NQR frequency in (NH4)2RuCl6

    NASA Astrophysics Data System (ADS)

    Kume, Yoshio; Amino, Daiki; Asaji, Tetsuo

    2013-07-01

    The 35Cl nuclear quadrupole resonance frequencies and spin-lattice relaxation times for (NH4)2RuCl6, (ND4)2RuCl6, (NH4)2SnCl6, and (ND4)2SnCl6 were measured in the temperature range 4.2-300 K. In these four compounds, it was confirmed that no phase transition occurs in the observed temperature range. At 4.2 K, discrepancies of the NQR frequency between non-deuterated and deuterated compounds, which are attributed to the difference in the spatial distributions of hydrogen (deuterium) atoms in the ground states of the rotational motion of ammonium ion, reached to 24 kHz and 23 kHz for the ruthenate compounds and the stannate compounds, respectively. The separation between the ground and the first excited states of the rotational motion of the ammonium ion was estimated to be 466 J mol-1 and 840 J mol-1 for (ND4)2RuCl6 and (NH4)2RuCl6, respectively, by least-square fitting calculations of temperature dependence of the NQR frequency. For (ND4)2SnCl6 and (NH4)2SnCl6, these quantities were estimated to be 501 J mol-1 and 1544 J mol-1, respectively. It was clarified that the T1 minimum, which has been observed for the stannate compounds at around 60 K as a feature of the temperature dependence, was dependent on a method of sample preparation. It is concluded that the minimum is not an essential character of the ammonium hexachlorostannate(IV) since the crystals prepared in strong acid condition to prevent a partial substitution of chlorine atoms by hydroxyl groups, did not show such T1 minimum.

  11. NQR application to the study of hydrogen dynamics in hydrogen-bonded molecular dimers

    NASA Astrophysics Data System (ADS)

    Asaji, Tetsuo

    2016-12-01

    The temperature dependences of 1H NMR as well as 35Cl NQR spin-lattice relaxation times T 1 were investigated in order to study the hydrogen transfer dynamics in carboxylic acid dimers in 3,5-dichloro- and 2,6-dichlorobenzoic acids. The asymmetry energy A/ k B and the activation energy V/ k B for the hydrogen transfer were estimated to be 240 K and 900 K, and 840 K and 2500 K, respectively, for these compounds. In spite of a large asymmetric potential the quantum nature of hydrogen transfer is recognized in the slope of the temperature dependence of T 1 on the low-temperature side of the T 1 minimum. The NQR T 1 measurements was revealed to be a good probe for the hydrogen transfer dynamics.

  12. Advanced Electrochemical Technologies for Hydrogen Production by Alternative Thermochemical Cycles

    SciTech Connect

    Lvov, Serguei; Chung, Mike; Fedkin, Mark; Lewis, Michele; Balashov, Victor; Chalkova, Elena; Akinfiev, Nikolay; Stork, Carol; Davis, Thomas; Gadala-Maria, Francis; Stanford, Thomas; Weidner, John; Law, Victor; Prindle, John

    2011-01-06

    Hydrogen fuel is a potentially major solution to the problem of climate change, as well as addressing urban air pollution issues. But a key future challenge for hydrogen as a clean energy carrier is a sustainable, low-cost method of producing it in large capacities. Most of the world's hydrogen is currently derived from fossil fuels through some type of reforming processes. Nuclear hydrogen production is an emerging and promising alternative to the reforming processes for carbon-free hydrogen production in the future. This report presents the main results of a research program carried out by a NERI Consortium, which consisted of Penn State University (PSU) (lead), University of South Carolina (USC), Tulane University (TU), and Argonne National Laboratory (ANL). Thermochemical water decomposition is an emerging technology for large-scale production of hydrogen. Typically using two or more intermediate compounds, a sequence of chemical and physical processes split water into hydrogen and oxygen, without releasing any pollutants externally to the atmosphere. These intermediate compounds are recycled internally within a closed loop. While previous studies have identified over 200 possible thermochemical cycles, only a few have progressed beyond theoretical calculations to working experimental demonstrations that establish scientific and practical feasibility of the thermochemical processes. The Cu-Cl cycle has a significant advantage over other cycles due to lower temperature requirements – around 530 °C and below. As a result, it can be eventually linked with the Generation IV thermal power stations. Advantages of the Cu-Cl cycle over others include lower operating temperatures, ability to utilize low-grade waste heat to improve energy efficiency, and potentially lower cost materials. Another significant advantage is a relatively low voltage required for the electrochemical step (thus low electricity input). Other advantages include common chemical agents and

  13. Submonolayer Quantum Dot Infrared Photodetector

    NASA Technical Reports Server (NTRS)

    Ting, David Z.; Bandara, Sumith V.; Gunapala, Sarath D.; Chang, Yia-Chang

    2010-01-01

    A method has been developed for inserting submonolayer (SML) quantum dots (QDs) or SML QD stacks, instead of conventional Stranski-Krastanov (S-K) QDs, into the active region of intersubband photodetectors. A typical configuration would be InAs SML QDs embedded in thin layers of GaAs, surrounded by AlGaAs barriers. Here, the GaAs and the AlGaAs have nearly the same lattice constant, while InAs has a larger lattice constant. In QD infrared photodetector, the important quantization directions are in the plane perpendicular to the normal incidence radiation. In-plane quantization is what enables the absorption of normal incidence radiation. The height of the S-K QD controls the positions of the quantized energy levels, but is not critically important to the desired normal incidence absorption properties. The SML QD or SML QD stack configurations give more control of the structure grown, retains normal incidence absorption properties, and decreases the strain build-up to allow thicker active layers for higher quantum efficiency.

  14. Equilibrium constant for the reaction ClO + ClO ↔ ClOOCl between 250 and 206 K.

    PubMed

    Hume, Kelly L; Bayes, Kyle D; Sander, Stanley P

    2015-05-14

    The chlorine peroxide molecule, ClOOCl, is an important participant in the chlorine-catalyzed destruction of ozone in the stratosphere. Very few laboratory measurements have been made for the partitioning between monomer ClO and dimer ClOOCl at temperatures lower than 250 K. This paper reports absorption spectra for both ClO and ClOOCl when they are in equilibrium at 1 atm and temperatures down to 206 K. The very low ClO concentrations involved requires measuring and calibrating a differential cross section, ΔσClO, for the 10-0 band of ClO. A third law fit of the new results gives Keq = [(2.01 ± 0.17) 10–27 cm3 molecule–1] e(8554∓21)K/T, where the error limits reflect the uncertainty in the entropy change. The resulting equilibrium constants are slightly lower than currently recommended. The slope of the van’t Hoff plot yields a value for the enthalpy of formation of ClOOCl at 298 K, ΔHfo, of 129.8 ± 0.6 kJ mol–1. Uncertainties in the absolute ultraviolet cross sections of ClOOCl and ClO appear to be the limiting factors in these measurements. The new Keq parameters are consistent with the measurements of Santee et al.42 in the stratosphere. PMID:25560546

  15. Beyond DOtS: avenues ahead in the management of tuberculosis.

    PubMed

    Chaudhury, Ranjit Roy; Thatte, Urmila

    2003-01-01

    India has almost 30% of the global burden of tuberculosis (TB)--one person dies of the disease every minute in our country. India has mounted the second-largest DOTS programme in the world to control this disease. However, DOTS has its limitations and newer approaches have been developed over the years to overcome the global burden of tuberculosis. Problems with health facilities, patients, drugs and the disease itself constitute some of the hurdles in the implementation of the DOTS programme. In an attempt to go beyond DOTS, the WHO launched the 'Stop TB Initiative' in 1988. Against the background of irrational antituberculosis drug use, which contributes to increasing drug resistance, the effective involvement of private healthcare providers is imperative to achieve better geographical and patient coverage for the implementation of DOTS. The WHO is currently addressing the issue of involving private practitioners in tuberculosis control in a programme called Public-Private Mix DOTS (PPM DOTS). The Stop TB Initiative is also active in the area of dual infection with HIV and tuberculosis, and the initiatives that have been taken in this area include 'ProTEST', community contribution to tuberculosis care, and development and dissemination of training materials and guidelines. The DOTS-Plus strategy for the management of multidrug resistant (MDR)-TB and the establishment of the Green Light Committee to review project applications in this area are initiatives taken to curb the problem of drug resistance in tuberculosis. Even decades after the introduction of the DOTS strategy, much needs to be done to expand the services to the entire population; it is now essential to develop strategies that go beyond DOTS. PMID:14765625

  16. Thermodynamic characterization of hydrogen interaction with iridium polyhydride complexes

    SciTech Connect

    Zidan, R.A.; Rocheleau, R.E.

    1999-01-01

    Hydrogen interaction with solid iridium complexes IrXH{sub 2}(PPr3{sup i}){sub 2} (X=Cl, I) was investigated. Gaseous hydrogen was found to react reversibly with solid chloro-iridium complex IrClH{sub 2}(PPr3{sup i}){sub 2} forming IrClH{sub 2}(PPr3{sup i}){sub 2}H{sub 2}. The relative partial molal enthalpy and entropy were obtained from equilibrium isotherms at different hydrogen concentrations. The decrease in entropy with increasing hydrogen concentration and the absence of plateaus in the equilibrium isotherms were consistent with a single phase solid solution with two chemical components. Hydrogen release from solid iodo-iridium complex IrIH{sub 2}(PPr3{sup i}){sub 2}H{sub 2} was not observed at temperatures up to 350 K, indicating stronger hydrogen bonding. {copyright} {ital 1999 Materials Research Society.}

  17. Chlorine monoxide radical, ozone, and hydrogen peroxide: stratospheric measurements by microwave limb sounding

    SciTech Connect

    Waters, J.W.; Hardy, J.C.; Jarnot, R.F.; Pickett, H.M.

    1981-10-02

    Profiles of stratospheric ozone and chlorine monoxide radical (ClO) were obtained from balloon measurements of atmospheric limb thermal emission at millimeter wavelengths. The ClO measurements, important for assessing the predicted depletion of stratospheric ozone by chlorine from industrial sources, are in close agreement with present theory. The predicted decrease of ClO at sunset was measured. A tentative value for the stratospheric abundance of hydrogen peroxide was also determined.

  18. Chlorine monoxide radical, ozone, and hydrogen peroxide - Stratospheric measurements by microwave limb sounding

    NASA Technical Reports Server (NTRS)

    Waters, J. W.; Hardy, J. C.; Jarnot, R. F.; Pickett, H. M.

    1981-01-01

    Profiles of stratospheric ozone and chlorine monoxide radical (ClO) have been obtained from balloon measurements of atmospheric limb thermal emission at millimeter wavelengths. The ClO measurements, important for assessing the predicted depletion of stratospheric ozone by chlorine from industrial sources, are in close agreement with present theory. The predicted decrease of ClO at sunset was measured. A tentative value for the stratospheric abundance of hydrogen peroxide was also determined.

  19. Easy methods to study the smart energetic TNT/CL-20 co-crystal.

    PubMed

    Li, Huarong; Shu, Yuanjie; Gao, Shijie; Chen, Ling; Ma, Qing; Ju, Xuehai

    2013-11-01

    2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) is a high-energy nitramine explosive with high mechanical sensitivity. 2,4,6-trinitrotoluene (TNT) is insensitive but by no means a high performance explosive. To reveal the significant importance and smart-material functionality of the energetic-energetic co-crystals, the stability, mechanical and explosive properties TNT/CL-20 co-crystal, TNT crystal and CL-20 crystal were studied. Non-hydrogen bonded non-covalent interactions govern the structures of energetic-energetic co-crystals. However, it is very difficult to accurately calculate the non-covalent intermolecular interaction energies. In this paper, the local conformation and the intricate non-covalent interactions were effectively mapped and analyzed from the electron density (ρ) and its derivatives. The results show that the two components TNT and CL-20 are connected mainly by nitro-aromatic interactions, and nitro-nitro interactions. The steric interactions in TNT/CL-20 could not be confronted with the attractive interactions. Moreover, the scatter graph of TNT crystal reveals the reason why TNT is brittle. The detailed electrostatic potential analysis predicted that the detonation velocities (D) and impact sensitivity for the compounds both increase in the sequence of CL-20 > TNT/CL-20 co-crystal > TNT. Additionally, TNT/CL-20 co-crystal has better malleability than its pure components. This demonstrates the capacity and the feasibility of realizing explosive smart materials by co-crystallization, even if strong hydrogen bonding schemes are generally lacking in energetic materials. PMID:24043545

  20. Crystal structures of Ca(ClO4)2·4H2O and Ca(ClO4)2·6H2O.

    PubMed

    Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang

    2014-12-01

    The title compounds, calcium perchlorate tetra-hydrate and calcium perchlorate hexa-hydrate, were crystallized at low temperatures according to the solid-liquid phase diagram. The structure of the tetra-hydrate consists of one Ca(2+) cation eightfold coordinated in a square-anti-prismatic fashion by four water mol-ecules and four O atoms of four perchlorate tetra-hedra, forming chains parallel to [01-1] by sharing corners of the ClO4 tetra-hedra. The structure of the hexa-hydrate contains two different Ca(2+) cations, each coordinated by six water mol-ecules and two O atoms of two perchlorate tetra-hedra, forming [Ca(H2O)6(ClO4)]2 dimers by sharing two ClO4 tetra-hedra. The dimers are arranged in sheets parallel (001) and alternate with layers of non-coordinating ClO4 tetra-hedra. O-H⋯O hydrogen bonds between the water mol-ecules as donor and ClO4 tetra-hedra and water mol-ecules as acceptor groups lead to the formation of a three-dimensional network in the two structures. Ca(ClO4)2·6H2O was refined as a two-component inversion twin, with an approximate twin component ratio of 1:1 in each of the two structures. PMID:25552974

  1. Low severity coal conversion by ionic hydrogenation

    SciTech Connect

    Larsen, J.W.; Maioriello, J.; Cheng, J.C.

    1990-08-17

    The work accomplished in this project will be reported in two parts. Part one will focus on the development of catalytic ionic hydrogenation reactions utilizing a transition metal-H{sub 2} complex as the hydride donor and BF{sub 3}:H{sub 2}O as proton donor. This part reports the results of prelimiary work leading to the development of a new catalytic ionic hydrogenation system (MeCN){sub 2}PtCl{sub 2}/H{sub 2}/BF{sub 3}: H{sub 2}O. The results from some of this work have been published and the paper is included as the appendix. The second part focuses on the newly developed catalytic and other well characterized ionic hydrogenation reactions applied to lignites (Beulah-Zap), sub-bitumiuous (Wyodak), and bituminous coals (Pittsburgh {number sign}8). 19 refs., 10 tabs.

  2. Vortex Gyrotropic Motion in patterned Ferromagnetic Dots

    NASA Astrophysics Data System (ADS)

    Ding, Junjia; Lapa, Pavel; Chair, Trupti; Posada, Chrystian; Hoffmann, Axel; Novosad, Valentine

    A vortex state consists of a large region of in-plane curling magnetization and a small core region with out-of-plane magnetization. The gyrotropic oscillation frequency of the vortex core is known to be weakly dependent to the core position (which is adjustable by changing the applied field) and can only be efficiently tuned by changing the dimension of the dots. Here, we demonstrated that the vortex gyrotropic frequency can be stepwise tuned by introducing a vortex barrier to a regular ferromagnetic dot. Systematical investigations of the dynamic response of the engineered dots have been performed as a function of the outer dot diameter, barrier diameter and the barrier profile using both microwave absorption spectroscopy and micromagnetic simulation. We found that the vortex frequency is mostly dependent on the outer diameter of the dot when the core is outside the barrier, while it is more rely on the dimension of the barrier when the core is inside the barrier. This approach certainly gives several additional freedoms to adjust the vortex gyrotopic frequency and opens extra perspectives for spintronic applications. This work at Argonne was supported by the U.S. Department of Energy, Office of Science, Materials Science and Engineering Division.

  3. Chloride Channelopathies of ClC-2

    PubMed Central

    Bi, Miao Miao; Hong, Sen; Zhou, Hong Yan; Wang, Hong Wei; Wang, Li Na; Zheng, Ya Juan

    2014-01-01

    Chloride channels (ClCs) have gained worldwide interest because of their molecular diversity, widespread distribution in mammalian tissues and organs, and their link to various human diseases. Nine different ClCs have been molecularly identified and functionally characterized in mammals. ClC-2 is one of nine mammalian members of the ClC family. It possesses unique biophysical characteristics, pharmacological properties, and molecular features that distinguish it from other ClC family members. ClC-2 has wide organ/tissue distribution and is ubiquitously expressed. Published studies consistently point to a high degree of conservation of ClC-2 function and regulation across various species from nematodes to humans over vast evolutionary time spans. ClC-2 has been intensively and extensively studied over the past two decades, leading to the accumulation of a plethora of information to advance our understanding of its pathophysiological functions; however, many controversies still exist. It is necessary to analyze the research findings, and integrate different views to have a better understanding of ClC-2. This review focuses on ClC-2 only, providing an analytical overview of the available literature. Nearly every aspect of ClC-2 is discussed in the review: molecular features, biophysical characteristics, pharmacological properties, cellular function, regulation of expression and function, and channelopathies. PMID:24378849

  4. Local structures and the dissolving behavior of aqueous ammonia and its KCl and NH4Cl solutions: A Raman spectroscopy and X-ray scattering study.

    PubMed

    Li, Shenyu; Yuan, Junsheng; Li, Fei; Liu, Ziyu

    2016-06-01

    The aqueous ammonia (5%-15%) and its KCl and NH4Cl solutions have been studied by Raman spectroscopy and X-ray scattering. The microscopic structures in these solutions were proposed. The addition of KCl reinforced the hydrogen bond between NH3 and H2O. On contrary, NH4Cl destroyed this interaction by forming hydrogen bond NH4(+)-NH3. This study gave an interpretation of the different dissolving behavior of KCl and NH4Cl in aqueous ammonia, which may have important implications in the separation of potassium and ammonium salt during the industrial production. PMID:26974475

  5. Local structures and the dissolving behavior of aqueous ammonia and its KCl and NH4Cl solutions: A Raman spectroscopy and X-ray scattering study

    NASA Astrophysics Data System (ADS)

    Li, Shenyu; Yuan, Junsheng; Li, Fei; Liu, Ziyu

    2016-06-01

    The aqueous ammonia (5%-15%) and its KCl and NH4Cl solutions have been studied by Raman spectroscopy and X-ray scattering. The microscopic structures in these solutions were proposed. The addition of KCl reinforced the hydrogen bond between NH3 and H2O. On contrary, NH4Cl destroyed this interaction by forming hydrogen bond NH4+-NH3. This study gave an interpretation of the different dissolving behavior of KCl and NH4Cl in aqueous ammonia, which may have important implications in the separation of potassium and ammonium salt during the industrial production.

  6. Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability

    SciTech Connect

    Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martinez, Todd J.; Schultz, Arthur J.; Herschiag, Daniel

    2015-05-06

    Hydrogen bonds profoundly influence the architecture and activity of biological macromolecules. Deep appreciation of hydrogen bond contributions to biomolecular function thus requires a detailed understanding of hydrogen bond structure and energetics and the relationship between these properties. Hydrogen bond formation energies (Delta G(f)) are enormously more favorable in aprotic solvents than in water, and two classes of contributing factors have been proposed to explain this energetic difference, focusing respectively on the isolated and hydrogen-bonded species: (I) water stabilizes the dissociated donor and acceptor groups much better than aprotic solvents, thereby reducing the driving force for hydrogen bond formation; and (II) water lengthens hydrogen bonds compared to aprotic environments, thereby decreasing the potential energy within the hydrogen bond. Each model has been proposed to provide a dominant contribution to Delta G(f), but incisive tests that distinguish the importance of these contributions are lacking. Here we directly test the structural basis of model II. Neutron crystallography, NMR spectroscopy, and quantum mechanical calculations demonstrate that O-H center dot center dot center dot O hydrogen bonds in crystals, chloroform, acetone, and water have nearly identical lengths and very similar potential energy surfaces despite Delta G(f) differences >8 kcal/mol across these solvents. These results rule out a substantial contribution from solvent-dependent differences in hydrogen bond structure and potential energy after association (model II) and thus support the conclusion that differences in hydrogen bond Delta G(f) are predominantly determined by solvent interactions with the dissociated groups (model I). These findings advance our understanding of universal hydrogen-bonding interactions and have important implications for biology and engineering.

  7. Cs3ScCl6.

    PubMed

    Ward, Matthew D; Ibers, James A

    2014-06-01

    Crystals of tricaesium scandium(III) hexa-chloride were obtained as a side product from the reaction of U, SnCl2, Sc, and S in a CsCl flux at 1073 K. Cs3ScCl6 crystallizes in the Rb3YCl6 structure type. The asymmetric unit comprises three Cs sites, two Sc sites, and six Cl sites, all of which have site symmetry 1, except for the two Sc sites that have site symmetries of 2 and -1, respectively. The structure is composed of isolated [ScCl6](3-) octa-hedra that are surrounded by Cs(+) cations. Two Cs(+) cations have inter-actions with eight Cl(-) anions, while the third has inter-actions with ten Cl(-) anions. PMID:24940185

  8. Biodegradation of the Nitramine Explosive CL-20

    PubMed Central

    Trott, Sandra; Nishino, Shirley F.; Hawari, Jalal; Spain, Jim C.

    2003-01-01

    The cyclic nitramine explosive CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane) was examined in soil microcosms to determine whether it is biodegradable. CL-20 was incubated with a variety of soils. The explosive disappeared in all microcosms except the controls in which microbial activity had been inhibited. CL-20 was degraded most rapidly in garden soil. After 2 days of incubation, about 80% of the initial CL-20 had disappeared. A CL-20-degrading bacterial strain, Agrobacterium sp. strain JS71, was isolated from enrichment cultures containing garden soil as an inoculum, succinate as a carbon source, and CL-20 as a nitrogen source. Growth experiments revealed that strain JS71 used 3 mol of nitrogen per mol of CL-20. PMID:12620886

  9. [((Cl)Im(Dipp))P=P(Dipp)][GaCl4]: a polarized, cationic diphosphene.

    PubMed

    Schwedtmann, Kai; Holthausen, Michael H; Sala, Chris H; Hennersdorf, Felix; Fröhlich, Roland; Weigand, Jan J

    2016-01-25

    The reaction of the neutral diphosphanide [((Cl)Im(Dipp))P-P(Cl)(Dipp)] (6) ((Cl)Im(Dipp) = 4,5-dichloro-1,3-bis(Dipp)-imidazol-2-yl; Dipp = 2,6-di-iso-propylphenyl) with methyl triflate (MeOTf) leads to the formation of cationic diphosphane [((Cl)Im(Dipp))(Me)P-P(Cl)(Dipp)](+) (8+) in a stereoselective methylation. In contrast, reacting with the Lewis acid GaCl3 yields cationic diphosphene [((Cl)Im(Dipp))P=P(Dipp)](+) (7+), which is explained by a low P-Cl bond dissociation energy. The significantly polarized P=P double bond in 7+ allows for its utilization as an acceptor for nucleophiles - the reaction with Cl(-) regenerates diphosphanide and the reaction with PMe3 gives cation [((Cl)Im(Dipp))P-P(PMe3)(Dipp)] (9+). In depth DFT investigation provides detailed insights into the bonding situation of the reported compounds. PMID:26627185

  10. Composition for absorbing hydrogen

    DOEpatents

    Heung, L.K.; Wicks, G.G.; Enz, G.L.

    1995-05-02

    A hydrogen absorbing composition is described. The composition comprises a porous glass matrix, made by a sol-gel process, having a hydrogen-absorbing material dispersed throughout the matrix. A sol, made from tetraethyl orthosilicate, is mixed with a hydrogen-absorbing material and solidified to form a porous glass matrix with the hydrogen-absorbing material dispersed uniformly throughout the matrix. The glass matrix has pores large enough to allow gases having hydrogen to pass through the matrix, yet small enough to hold the particles dispersed within the matrix so that the hydrogen-absorbing particles are not released during repeated hydrogen absorption/desorption cycles.

  11. An independent hydrogen source

    SciTech Connect

    Kobzenko, G.F.; Chubenko, M.V.; Kobzenko, N.S.; Senkevich, A.I.; Shkola, A.A.

    1985-10-01

    Descriptions are given of the design and operation of an independent hydrogen source used in purifying and storing hydrogen. If LaNi/sub 5/ or TiFe is used as the sorbent, one can store about 500 liter of chemically bound hydrogen in a vessel of 0.9 liter. Molecular purification of the desorbed hydrogen is used. The IHS is a safe hydrogen source, since the hydrogen is trapped in the sorbent in the chemically bound state and in equilibrium with LaNi/sub 5/Hx at room temperature. If necessary, the IHS can serve as a compressor and provide higher hydrogen pressures. The device is compact and transportable.

  12. Composition for absorbing hydrogen

    DOEpatents

    Heung, Leung K.; Wicks, George G.; Enz, Glenn L.

    1995-01-01

    A hydrogen absorbing composition. The composition comprises a porous glass matrix, made by a sol-gel process, having a hydrogen-absorbing material dispersed throughout the matrix. A sol, made from tetraethyl orthosilicate, is mixed with a hydrogen-absorbing material and solidified to form a porous glass matrix with the hydrogen-absorbing material dispersed uniformly throughout the matrix. The glass matrix has pores large enough to allow gases having hydrogen to pass through the matrix, yet small enough to hold the particles dispersed within the matrix so that the hydrogen-absorbing particles are not released during repeated hydrogen absorption/desorption cycles.

  13. Enhanced chemiluminescence of the luminol-hydrogen peroxide system by colloidal cupric oxide nanoparticles as peroxidase mimic.

    PubMed

    Chen, Wei; Hong, Lei; Liu, Ai-Lin; Liu, Jian-Qing; Lin, Xin-Hua; Xia, Xing-Hua

    2012-09-15

    As a peroxidase mimic, cupric oxide nanoparticles were found to enhance the chemiluminescence (CL) of luminol-H(2)O(2) system up to 400 folds. The CL spectra and radical scavengers were conducted to investigate the possible CL enhancement mechanism. It was suggested that the enhanced CL could be attributed to the peroxidase-like activity of CuO nanoparticles, which effectively catalyzed the decomposition of hydrogen peroxide into hydroxyl radicals. The effects of the reactant concentrations and some organic compounds were also investigated. The proposed method could be used as a sensitive detection tool for hydrogen peroxide and glucose. PMID:22967606

  14. Fluoride-dependent interruption of the transport cycle of a CLC Cl-/H+ antiporter.

    PubMed

    Lim, Hyun-Ho; Stockbridge, Randy B; Miller, Christopher

    2013-11-01

    Cl(-)/H(+) antiporters of the CLC superfamily transport anions across biological membranes in varied physiological contexts. These proteins are weakly selective among anions commonly studied, including Cl(-), Br(-), I(-), NO3(-) and SCN(-), but they seem to be very selective against F(-). The recent discovery of a new CLC clade of F(-)/H(+) antiporters, which are highly selective for F(-) over Cl(-), led us to investigate the mechanism of Cl(-)-over-F(-) selectivity by a CLC Cl(-)/H(+) antiporter, CLC-ec1. By subjecting purified CLC-ec1 to anion transport measurements, electrophysiological recording, equilibrium ligand-binding studies and X-ray crystallography, we show that F(-) binds in the Cl(-) transport pathway with affinity similar to Cl(-) but stalls the transport cycle. Examination of various mutant antiporters implies a 'lock-down' mechanism of F(-) inhibition, in which F(-), by virtue of its unique hydrogen-bonding chemistry, greatly retards a proton-linked conformational change essential for the transport cycle of CLC-ec1. PMID:24036509

  15. Surface treatment of nanocrystal quantum dots after film deposition

    DOEpatents

    Sykora, Milan; Koposov, Alexey; Fuke, Nobuhiro

    2015-02-03

    Provided are methods of surface treatment of nanocrystal quantum dots after film deposition so as to exchange the native ligands of the quantum dots for exchange ligands that result in improvement in charge extraction from the nanocrystals.

  16. Origins and optimization of entanglement in plasmonically coupled quantum dots

    NASA Astrophysics Data System (ADS)

    Otten, Matthew; Larson, Jeffrey; Min, Misun; Wild, Stefan M.; Pelton, Matthew; Gray, Stephen K.

    2016-08-01

    A system of two or more quantum dots interacting with a dissipative plasmonic nanostructure is investigated in detail by using a cavity quantum electrodynamics approach with a model Hamiltonian. We focus on determining and understanding system configurations that generate multiple bipartite quantum entanglements between the occupation states of the quantum dots. These configurations include allowing for the quantum dots to be asymmetrically coupled to the plasmonic system. Analytical solution of a simplified limit for an arbitrary number of quantum dots and numerical simulations and optimization for the two- and three-dot cases are used to develop guidelines for maximizing the bipartite entanglements. For any number of quantum dots, we show that through simple starting states and parameter guidelines, one quantum dot can be made to share a strong amount of bipartite entanglement with all other quantum dots in the system, while entangling all other pairs to a lesser degree.

  17. 3. VIEW OF SOUTHWESTERN APPROACH TO GEORGIA DOT BRIDGE NO. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    3. VIEW OF SOUTHWESTERN APPROACH TO GEORGIA DOT BRIDGE NO. 111-00060P-00020N - Georgia DOT Bridge No. 111-00060P-00020N, Georgia State Route 60 spur spanning Hempton Creek, Mineral Bluff, Fannin County, GA

  18. 7. DETAIL OF VIEW OF BALUSTRADE OF GEORGIA DOT BRIDGE ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    7. DETAIL OF VIEW OF BALUSTRADE OF GEORGIA DOT BRIDGE NO. 111-00060P-00020N - Georgia DOT Bridge No. 111-00060P-00020N, Georgia State Route 60 spur spanning Hempton Creek, Mineral Bluff, Fannin County, GA

  19. 5. VIEW OF TIMBER PILES SUPPORTING GEORGIA DOT BRIDGE NO. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    5. VIEW OF TIMBER PILES SUPPORTING GEORGIA DOT BRIDGE NO. 111-00060P-00020N - Georgia DOT Bridge No. 111-00060P-00020N, Georgia State Route 60 spur spanning Hempton Creek, Mineral Bluff, Fannin County, GA

  20. 4. VIEW OF NORTHEASTERN APPROACH TO GEORGIA DOT BRIDGE NO. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    4. VIEW OF NORTHEASTERN APPROACH TO GEORGIA DOT BRIDGE NO. 111-00060P-00020N - Georgia DOT Bridge No. 111-00060P-00020N, Georgia State Route 60 spur spanning Hempton Creek, Mineral Bluff, Fannin County, GA

  1. Novel determinants of the neuronal Cl(-) concentration.

    PubMed

    Delpire, Eric; Staley, Kevin J

    2014-10-01

    It is now a well-accepted view that cation-driven Cl(-) transporters in neurons are involved in determining the intracellular Cl(-) concentration. In the present review, we propose that additional factors, which are often overlooked, contribute substantially to the Cl(-) gradient across neuronal membranes. After briefly discussing the data supporting and opposing the role of cation-chloride cotransporters in regulating Cl(-), we examine the participation of the following factors in the formation of the transmembrane Cl(-) gradient: (i) fixed 'Donnan' charges inside and outside the cell; (ii) the properties of water (free vs. bound); and (iii) water transport through the cotransporters. We demonstrate a steep relationship between intracellular Cl(-) and the concentration of fixed negative charges on macromolecules. We show that in the absence of water transport through the K(+)-Cl(-) cotransporter, a large osmotic gradient builds at concentrations below or above a set value of 'Donnan' charges, and show that at any value of these fixed charges, the reversal potential for Cl(-) equates that of K(+). When the movement of water across the membrane is a source of free energy, it is sufficient to modify the movement of Cl(-) through the cotransporter. In this scenario, the reversal potential for Cl(-) does not closely follow that of K(+). Furthermore, our simulations demonstrate that small differences in the availability of freely diffusible water between inside and outside the cell greatly affect the Cl(-) reversal potential, particularly when osmolar transmembrane gradients are minimized, for example by idiogenic osmoles. We also establish that the presence of extracellular charges has little effect on the chloride reversal potential, but greatly affects the effective inhibitory conductance for Cl(-). In conclusion, our theoretical analysis of the presence of fixed anionic charges and water bound on macromolecules inside and outside the cell greatly impacts both Cl

  2. Filtering algorithm for dotted interferences

    NASA Astrophysics Data System (ADS)

    Osterloh, K.; Bücherl, T.; Lierse von Gostomski, Ch.; Zscherpel, U.; Ewert, U.; Bock, S.

    2011-09-01

    An algorithm has been developed to remove reliably dotted interferences impairing the perceptibility of objects within a radiographic image. This particularly is a major challenge encountered with neutron radiographs collected at the NECTAR facility, Forschungs-Neutronenquelle Heinz Maier-Leibnitz (FRM II): the resulting images are dominated by features resembling a snow flurry. These artefacts are caused by scattered neutrons, gamma radiation, cosmic radiation, etc. all hitting the detector CCD directly in spite of a sophisticated shielding. This makes such images rather useless for further direct evaluations. One approach to resolve this problem of these random effects would be to collect a vast number of single images, to combine them appropriately and to process them with common image filtering procedures. However, it has been shown that, e.g. median filtering, depending on the kernel size in the plane and/or the number of single shots to be combined, is either insufficient or tends to blur sharp lined structures. This inevitably makes a visually controlled processing image by image unavoidable. Particularly in tomographic studies, it would be by far too tedious to treat each single projection by this way. Alternatively, it would be not only more comfortable but also in many cases the only reasonable approach to filter a stack of images in a batch procedure to get rid of the disturbing interferences. The algorithm presented here meets all these requirements. It reliably frees the images from the snowy pattern described above without the loss of fine structures and without a general blurring of the image. It consists of an iterative, within a batch procedure parameter free filtering algorithm aiming to eliminate the often complex interfering artefacts while leaving the original information untouched as far as possible.

  3. Hydrogen Embrittlement Understood

    NASA Astrophysics Data System (ADS)

    Robertson, Ian M.; Sofronis, P.; Nagao, A.; Martin, M. L.; Wang, S.; Gross, D. W.; Nygren, K. E.

    2015-06-01

    The connection between hydrogen-enhanced plasticity and the hydrogen-induced fracture mechanism and pathway is established through examination of the evolved microstructural state immediately beneath fracture surfaces including voids, "quasi-cleavage," and intergranular surfaces. This leads to a new understanding of hydrogen embrittlement in which hydrogen-enhanced plasticity processes accelerate the evolution of the microstructure, which establishes not only local high concentrations of hydrogen but also a local stress state. Together, these factors establish the fracture mechanism and pathway.

  4. Carbon dots-decorated multiwalled carbon nanotubes nanocomposites as a high-performance electrochemical sensor for detection of H2O2 in living cells.

    PubMed

    Bai, Jing; Sun, Chunhe; Jiang, Xiue

    2016-07-01

    A novel enzyme-free hydrogen peroxide sensor composed of carbon dots (CDs) and multi-walled carbon nanotubes (MWCNTs) was prepared. It was found that the carbon dots-decorated multi-walled carbon nanotubes nanocomposites (CDs/MWCNTs) modified glassy carbon (GC) electrode (CDs/MWCNTs/GCE) exhibited a significant synergistic electrocatalytic activity towards hydrogen peroxide reduction as compared to carbon dots or multi-walled carbon nanotubes alone, and the CDs/MWCNTs/GCE has shown a low detection limit as well as excellent stability, selectivity, and reproducibility. These remarkable analytical advantages enable the practical application of CDs/MWCNTs/GCE for the real-time tracking of hydrogen peroxide (H2O2) released from human cervical cancer cells with satisfactory results. The enhanced electrochemical activity can be assigned to the edge plane-like defective sites and lattice oxygen in the CDs/MWCNTs nanocomposites due to the small amount of decoration of carbon dots on the multi-walled carbon nanotubes. Based on a facile preparation method and with good electrochemical properties, the CDs/MWCNTs nanocomposites represent a new class of carbon electrode for electrochemical sensor applications. Graphical Abstract CDs/MWCNTs exhibited good electrocatalytic activity and stability to H2O2 reduction and can be used for real-time detection of H2O2 released from living cells. PMID:27108281

  5. Controlled Population Transfer in a Double Quantum Dot System

    SciTech Connect

    Fountoulakis, Antonios; Terzis, Andreas F.; Paspalakis, Emmanuel

    2007-12-26

    We study the potential for controlled population transfer between the ground states of two anharmonic coupled quantum dots. We propose a method based on the interaction of the quantum dot structure with external electromagnetic fields. The interaction of the quantum dot system with the electromagnetic fields is studied with the use of the time-dependent Schroedinger equation. We present numerical results for an asymmetric quantum dot structure.

  6. [Development and perspectives of community DOTS].

    PubMed

    Narita, Tomoyo; Kobayashi, Noriko

    2009-04-01

    The Japanese version of DOTS seems to have established itself. However, there is criticism that the primary purpose of DOTS expansion has often been supplanted by pressure to meet a quota. In this symposium, we returned to the starting point of DOTS, i.e., seeking a total cure of TB patients, and rededicated ourselves to our ultimate goal--TB elimination. In order to promote community DOTS more effectively, we should endeavor to build a community DOTS network with unified related information systems backed by government commitments. In so doing, we must continue to provide patients with support while respecting their rights and emphasizing their improved quality of life. 1. Achievements and challenges of DOTS conference: Yukiko SAITO (Fukujuji Hospital, JATA). We conduct face-to-face DOTS for all patients from the time of their admission until the time they are discharged. The DOTS conference is a place where hospitals and public health centers can share patient information, linking hospital DOTS with community DOTS. This meeting is an indispensable process in order to prevent patients' defaulting and irregular treatment. The ultimate goal of DOTS is treatment completion of tuberculosis patients, and in order to achieve that goal, a partnership among clinical, public health, and social services is crucial. The DOTS conference provides an opportunity for several public health centers to come together and share information. Conducting hospital DOTS and the DOTS conference in parallel facilitates providing comprehensive patient support. Continuing to hold regular DOTS conferences is both a sign of achievement of DOTS and a challenge for the future. 2. Achievements and challenges of cohort meeting in the TB control program in Kobe: Noriko TANAKA (Kobe City Public Health Office) The TB control program of Kobe City is based on the Second Five-Year TB strategy targeting the reduction of the TB incidence rate. It has five policy pillars, prevention and IEC, early case

  7. Isotopically enhanced triple-quantum-dot qubit

    PubMed Central

    Eng, Kevin; Ladd, Thaddeus D.; Smith, Aaron; Borselli, Matthew G.; Kiselev, Andrey A.; Fong, Bryan H.; Holabird, Kevin S.; Hazard, Thomas M.; Huang, Biqin; Deelman, Peter W.; Milosavljevic, Ivan; Schmitz, Adele E.; Ross, Richard S.; Gyure, Mark F.; Hunter, Andrew T.

    2015-01-01

    Like modern microprocessors today, future processors of quantum information may be implemented using all-electrical control of silicon-based devices. A semiconductor spin qubit may be controlled without the use of magnetic fields by using three electrons in three tunnel-coupled quantum dots. Triple dots have previously been implemented in GaAs, but this material suffers from intrinsic nuclear magnetic noise. Reduction of this noise is possible by fabricating devices using isotopically purified silicon. We demonstrate universal coherent control of a triple-quantum-dot qubit implemented in an isotopically enhanced Si/SiGe heterostructure. Composite pulses are used to implement spin-echo type sequences, and differential charge sensing enables single-shot state readout. These experiments demonstrate sufficient control with sufficiently low noise to enable the long pulse sequences required for exchange-only two-qubit logic and randomized benchmarking. PMID:26601186

  8. A hybrid double-dot in silicon

    SciTech Connect

    Gonzalez-Zalba, M. F.; Heiss, D.; Ferguson, A. J.

    2013-12-04

    We report electrical measurements of a single arsenic dopant atom in the tunnel barrier of a silicon single-electron transistor (SET). In addition to performing the electrical characterisation of the individual dopants, we study the series electrical transport through the dopant and SET. We measure the bias triangles of this hybrid double-dot and show that we can tune the electrostatic coupling between the two sub-systems. Additionally, we measured SET in which an additional plunger gate allows the reduction of the electron number in the SET down to the few-electron regime where the dot presents well-defined spin configurations. Finally, we discuss the challenges of operating a dopant-dot hybrid system in the few-electron regime.

  9. PRISM3 DOT1 Atlantic Basin Reconstruction

    USGS Publications Warehouse

    Dowsett, Harry; Robinson, Marci; Dwyer, Gary; Chandler, Mark; Cronin, Thomas

    2006-01-01

    PRISM3 DOT1 (Pliocene Research, Interpretation and Synoptic Mapping 3, Deep Ocean Temperature 1) provides a three-dimensional temperature reconstruction for the mid-Pliocene Atlantic basin, the first of several regional data sets that will comprise a global mid-Pliocene reconstruction. DOT1 is an alteration of modern temperature values for the Atlantic Ocean in 4 degree x 5 degree cells in 13 depth layers for December 1 based on Mg/Ca-derived BWT estimates from seventeen DSDP and ODP Sites and SST estimates from the PRISM2 reconstruction (Dowsett et al., 1999). DOT1 reflects a vaguely modern circulation system, assuming similar processes of deep-water formation; however, North Atlantic Deep Water (NADW) production is increased, and Antarctic Bottom Water (AABW) production is decreased. Pliocene NADW was approximately 2 degreesC warmer than modern temperatures, and Pliocene AABW was approximately 0.3 degreesC warmer than modern temperatures.

  10. Isotopically enhanced triple-quantum-dot qubit.

    PubMed

    Eng, Kevin; Ladd, Thaddeus D; Smith, Aaron; Borselli, Matthew G; Kiselev, Andrey A; Fong, Bryan H; Holabird, Kevin S; Hazard, Thomas M; Huang, Biqin; Deelman, Peter W; Milosavljevic, Ivan; Schmitz, Adele E; Ross, Richard S; Gyure, Mark F; Hunter, Andrew T

    2015-05-01

    Like modern microprocessors today, future processors of quantum information may be implemented using all-electrical control of silicon-based devices. A semiconductor spin qubit may be controlled without the use of magnetic fields by using three electrons in three tunnel-coupled quantum dots. Triple dots have previously been implemented in GaAs, but this material suffers from intrinsic nuclear magnetic noise. Reduction of this noise is possible by fabricating devices using isotopically purified silicon. We demonstrate universal coherent control of a triple-quantum-dot qubit implemented in an isotopically enhanced Si/SiGe heterostructure. Composite pulses are used to implement spin-echo type sequences, and differential charge sensing enables single-shot state readout. These experiments demonstrate sufficient control with sufficiently low noise to enable the long pulse sequences required for exchange-only two-qubit logic and randomized benchmarking. PMID:26601186

  11. Optimal control strategies for coupled quantum dots

    NASA Astrophysics Data System (ADS)

    Räsänen, Esa; Putaja, Antti; Mardoukhi, Yousof

    2013-09-01

    Semiconductor quantum dots are ideal candidates for quantum information applications in solid-state technology. However, advanced theoretical and experimental tools are required to coherently control, for example, the electronic charge in these systems. Here we demonstrate how quantum optimal control theory provides a powerful way to manipulate the electronic structure of coupled quantum dots with an extremely high fidelity. As alternative control fields we apply both laser pulses as well as electric gates, respectively. We focus on double and triple quantum dots containing a single electron or two electrons interacting via Coulomb repulsion. In the two-electron situation we also briefly demonstrate the challenges of timedependent density-functional theory within the adiabatic local-density approximation to produce comparable results with the numerically exact approach.

  12. A Few Facts about Hydrogen [and] Hydrogen Bibliography.

    ERIC Educational Resources Information Center

    Hinds, H. Roger

    Divided into two sections, this publication presents facts about and the characteristics of hydrogen and a bibliography on hydrogen. The first section lists nine facts on what hydrogen is, four on where hydrogen is found, nine on how hydrogen is used, nine on how hydrogen can be used, and 14 on how hydrogen is made. Also included are nine…

  13. A flow injection chemiluminescence method for determination of nalidixic acid based on KMnO4-morin sensitized with CdS quantum dots

    NASA Astrophysics Data System (ADS)

    Khataee, Alireza; Lotfi, Roya; Hasanzadeh, Aliyeh; Iranifam, Mortaza; Joo, Sang Woo

    2016-02-01

    A simple and sensitive flow injection chemiluminescence (CL) method was developed for determination of nalidixic acid by application of CdS quantum dots (QDs) in KMnO4-morin CL system in acidic medium. Optical and structural features of L-cysteine capped CdS quantum dots which were synthesized via hydrothermal approach were investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), photoluminescence (PL), and ultraviolet-visible (UV-Vis) spectroscopy. Moreover, the potential mechanism of the proposed CL method was described using the results of the kinetic curves of CL systems, the spectra of CL, PL and UV-Vis analyses. The CL intensity of the KMnO4-morin-CdS QDs system was considerably increased in the presence of nalidixic acid. Under the optimum condition, the enhanced CL intensity was linearly proportional to the concentration of nalidixic acid in the range of 0.0013 to 21.0 mg L- 1, with a detection limit of (3σ) 0.003 mg L- 1. Also, the proposed CL method was utilized for determination of nalidixic acid in environmental water samples, and commercial pharmaceutical formulation to approve its applicability. Furthermore, corona discharge ionization ion mobility spectrometry (CD-IMS) method was utilized for determination of nalidixic acid and the results of real sample analysis by two proposed methods were compared. Comparison the analytical features of these methods represented that the proposed CL method is preferable to CD-IMS method for determination of nalidixic acid due to its high sensitivity and precision.

  14. Hydrogen Diffusion Behavior in Titanium-Chromium Hydrides with Laves Structures

    SciTech Connect

    Bowman Jr., R.C.; Craft, B.D.; Attalla, A.; Johnson, J.R.

    1981-03-31

    Extensive NMR measurements of the proton relaxation times have been performed on low (i.e., alpha-phase) and intermediate (i.e., alpha'-phase) hydrogen concentrations in TiCr{sub}2H{sub}x with both the hexagonal Cl4 and cubic Cl5 Laves structures. The relaxation times indicate rapid diffusion rates above 200 K for all the TiCr{sub}2H{sub}x phases; however, large differences in the diffusion activation energies are observed. This behavior is associated with the hydrogen interstitial site occupancies and diffusion pathways becoming restricted in the Cl4 structure.

  15. 49 CFR 41.119 - DOT regulated buildings.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 1 2011-10-01 2011-10-01 false DOT regulated buildings. 41.119 Section 41.119 Transportation Office of the Secretary of Transportation SEISMIC SAFETY § 41.119 DOT regulated buildings. (a) Each DOT Operating Administration with responsibility for regulating the structural safety of...

  16. 49 CFR 41.119 - DOT regulated buildings.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 1 2014-10-01 2014-10-01 false DOT regulated buildings. 41.119 Section 41.119 Transportation Office of the Secretary of Transportation SEISMIC SAFETY § 41.119 DOT regulated buildings. (a) Each DOT Operating Administration with responsibility for regulating the structural safety of...

  17. 49 CFR 41.119 - DOT regulated buildings.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 1 2012-10-01 2012-10-01 false DOT regulated buildings. 41.119 Section 41.119 Transportation Office of the Secretary of Transportation SEISMIC SAFETY § 41.119 DOT regulated buildings. (a) Each DOT Operating Administration with responsibility for regulating the structural safety of...

  18. 49 CFR 41.119 - DOT regulated buildings.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 1 2010-10-01 2010-10-01 false DOT regulated buildings. 41.119 Section 41.119 Transportation Office of the Secretary of Transportation SEISMIC SAFETY § 41.119 DOT regulated buildings. (a) Each DOT Operating Administration with responsibility for regulating the structural safety of...

  19. 49 CFR 41.119 - DOT regulated buildings.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 1 2013-10-01 2013-10-01 false DOT regulated buildings. 41.119 Section 41.119 Transportation Office of the Secretary of Transportation SEISMIC SAFETY § 41.119 DOT regulated buildings. (a) Each DOT Operating Administration with responsibility for regulating the structural safety of...

  20. Subtle leakage of a Majorana mode into a quantum dot

    NASA Astrophysics Data System (ADS)

    Vernek, E.; Penteado, P. H.; Seridonio, A. C.; Egues, J. C.

    2014-04-01

    We investigate quantum transport through a quantum dot connected to source and drain leads and side coupled to a topological superconducting nanowire (Kitaev chain) sustaining Majorana end modes. Using a recursive Green's-function approach, we determine the local density of states of the system and find that the end Majorana mode of the wire leaks into the dot, thus, emerging as a unique dot level pinned to the Fermi energy ɛF of the leads. Surprisingly, this resonance pinning, resembling, in this sense, a "Kondo resonance," occurs even when the gate-controlled dot level ɛdot(Vg) is far above or far below ɛF. The calculated conductance G of the dot exhibits an unambiguous signature for the Majorana end mode of the wire: In essence, an off-resonance dotdot(Vg)≠ɛF], which should have G =0, shows, instead, a conductance e2/2h over a wide range of Vg due to this pinned dot mode. Interestingly, this pinning effect only occurs when the dot level is coupled to a Majorana mode; ordinary fermionic modes (e.g., disorder) in the wire simply split and broaden (if a continuum) the dot level. We discuss experimental scenarios to probe Majorana modes in wires via these leaked/pinned dot modes.

  1. Optical properties of charged semiconductor quantum dots

    NASA Astrophysics Data System (ADS)

    Jha, Praket P.

    The effect of n-type doping on the luminescence properties of II-VI quantum dots is studied. The addition of two shells of CdS on CdSe quantum dots prevents the creation of surface traps and makes the system stable under reducing environment. The injection of electrons into films of quantum dots leads to lower photoluminescence (PL) efficiency, with the extent of quenching dependent on both the number and the quantum states of the spectator charges in the nanocrystal. It is found that a 1Pe electron is an eightfold better PL quencher than the 1Se electron. Reduced threshold for stimulated emission is also observed in doped CdSe/CdS films. Time resolved photoluminescence measurements are used to extract the recombination rates of a charged exciton, called trion. It is observed that the negative trion has a radiative rate ˜2.2 +/- 0.4x faster than a neutral exciton, while its non-radiative recombination rate is slower than the biexciton non-radiative recombination rate by a factor of 7.5 +/- 1.7. The knowledge of the recombination rates of the trion enables us to calculate the quantum yield of a negative trion to be ˜10% for the nanocrystals investigated in our work. This is larger than the off state quantum yield from a single quantum dot photoluminescence trajectory and eliminates the formation of negative trion as the possible reason for the PL blinking of single quantum dots. Single quantum dot electrochemistry has also been achieved. It is shown that by varying the Fermi level of the system electrons can be reversibly injected into and extracted out of single CdSe/CdS and CdSe/ZnS nanoparticles to modulate the photoluminescence.

  2. Monocyclopentadienylzirconium and -hafnium alkyls: Synthesis, hydrogen-transfer reactions, and catalytic features in the reactivity with. alpha. -olefins. X-ray structure of CpZr(. eta. sup 4 -butadiene)(dmpe)Cl (dmpe = 1,2,bis(dimethylphosphino)ethane)

    SciTech Connect

    Wielstra, Y.; Gambarotta, S. ); Spek, A.L. )

    1990-03-01

    The dissociation of one of the two equatorial dmpe (dmpe = 1,2-bis(dimethylphosphino)ethane) of CpM(dmpe){sub 2}X (X = Cl (1), Me (2); M = Zr (a), Hf (b)), allows the preparation of the new class of butadiene derivatives CpM({eta}{sup 4}-butadiene)(dmpe)X (X = Cl (4a,b), Me (5a)), via mild-condition ligand-replacement reaction. The structure of 4 was demonstrated by X-ray diffraction analysis. Crystal data are as follows: monoclinic, P2{sub 1}/n, a = 8.230 (1), b = 15.896 (1), c = 16.571 (1), {beta} = 95.43 (1), Z = 4, R = 0.043, R{sub w} = 0.044 for 2,634 observed reflections. The symmetrical {eta}{sup 4} bonding mode of the butadiene moiety suggests that the low-valent character of zirconium is preserved on these compounds. Complex 4 is the starting material for the preparation of a series of linear alkyl and hydride derivatives CpM({eta}{sup 4}-butadiene)(dmpe)X (X = H (6a,b), Et (7), n-Pr (10), n-Bu (11)) via a simple substitution reaction.

  3. Kondo effect in triple quantum dots

    NASA Astrophysics Data System (ADS)

    Žitko, R.; Bonča, J.; Ramšak, A.; Rejec, T.

    2006-04-01

    Numerical analysis of the simplest odd-numbered system of coupled quantum dots reveals an interplay between magnetic ordering, charge fluctuations, and the tendency of itinerant electrons in the leads to screen magnetic moments. The transition from local-moment to molecular-orbital behavior is visible in the evolution of correlation functions as the interdot coupling is increased. Resulting Kondo phases are presented in a phase diagram which can be sampled by measuring the zero-bias conductance. We discuss the origin of the even-odd effects by comparing with the double quantum dot.

  4. Ambipolar quantum dots in intrinsic silicon

    SciTech Connect

    Betz, A. C. Gonzalez-Zalba, M. F.; Podd, G.; Ferguson, A. J.

    2014-10-13

    We electrically measure intrinsic silicon quantum dots with electrostatically defined tunnel barriers. The presence of both p- and n-type ohmic contacts enables the accumulation of either electrons or holes. Thus, we are able to study both transport regimes within the same device. We investigate the effect of the tunnel barriers and the electrostatically defined quantum dots. There is greater localisation of charge states under the tunnel barriers in the case of hole conduction, leading to higher charge noise in the p-type regime.

  5. Bilayer graphene quantum dot defined by topgates

    SciTech Connect

    Müller, André; Kaestner, Bernd; Hohls, Frank; Weimann, Thomas; Pierz, Klaus; Schumacher, Hans W.

    2014-06-21

    We investigate the application of nanoscale topgates on exfoliated bilayer graphene to define quantum dot devices. At temperatures below 500 mK, the conductance underneath the grounded gates is suppressed, which we attribute to nearest neighbour hopping and strain-induced piezoelectric fields. The gate-layout can thus be used to define resistive regions by tuning into the corresponding temperature range. We use this method to define a quantum dot structure in bilayer graphene showing Coulomb blockade oscillations consistent with the gate layout.

  6. Recycling Of Bomb Produced Cl 36

    NASA Astrophysics Data System (ADS)

    Lazarev, V.; Blinov, A.; Huber, Th.; Kubo, F.; Nolte, E.

    The success of accelerated mass-spectrometry (AMS) has allowed the measuring of very small quantities of radioactive nuclides with the ratio to their stable isotope up to 10-14. With the help of this method the concentration of 36Cl in natural samples can be investigated. The main sources of 36Cl in the atmosphere are a) The natural production in nuclear reactions induced by the interaction of high energy cosmic rays with atmospheric Ar. b) The production by the interaction of high neutron fluxes emitted by the nuclear weapon tests with stable chlorine. c) The production in different reactors with the following release (e.g. Chernobyl accident). The analysis of 36Cl time profile in Greenland showed the fast removal of chlorine from the atmosphere so that nowadays only the natural production of 36Cl is of importance. However the measurement of 36Cl in modern precipitation revealed the significant excess of its concentration over the simulated predictions. The recycling of chlorine as an explanation of the observed discrepancy is ar- gued. The biosphere could take up a part of the fallen down bomb produced 36Cl and releases it into the troposphere in the form of CH3Cl. To check the hypothesis the experiment to collect methyl chloride from the air and to measure 36Cl was set up. The high observed ratio 36 Cl/Cl proves that the chlorine recycling really takes place. Additionally, in order to get more information about the distribution of 36Cl the measurements of its concentration in lakes with long flushing times were performed. With the help of modeling the different sources of 36Cl can be distinguished. The dominant source of 36Cl in many Alpine lakes is chlorine, released during the accident on the Chernobyl nuclear power plant.

  7. Improved dot size uniformity and luminescense of InAs quantum dots on InP substrate

    NASA Technical Reports Server (NTRS)

    Qiu, Y.; Uhl, D.

    2002-01-01

    InAs self-organized quantum dots have been grown in InGaAs quantum well on InP substrates by metalorganic vapor phase epitaxy. Atomic Force Microscopy confirmed of quantum dot formation with dot density of 3X10(sup 10) cm(sup -2). Improved dot size uniformity and strong room temperature photoluminescence up to 2 micron were observed after modifying the InGaAs well.

  8. CNN pincer ruthenium catalysts for hydrogenation and transfer hydrogenation of ketones: experimental and computational studies.

    PubMed

    Baratta, Walter; Baldino, Salvatore; Calhorda, Maria José; Costa, Paulo J; Esposito, Gennaro; Herdtweck, Eberhardt; Magnolia, Santo; Mealli, Carlo; Messaoudi, Abdelatif; Mason, Sax A; Veiros, Luis F

    2014-10-13

    Reaction of [RuCl(CNN)(dppb)] (1-Cl) (HCNN=2-aminomethyl-6-(4-methylphenyl)pyridine; dppb=Ph2 P(CH2 )4 PPh2 ) with NaOCH2 CF3 leads to the amine-alkoxide [Ru(CNN)(OCH2 CF3 )(dppb)] (1-OCH2 CF3 ), whose neutron diffraction study reveals a short RuO⋅⋅⋅HN bond length. Treatment of 1-Cl with NaOEt and EtOH affords the alkoxide [Ru(CNN)(OEt)(dppb)]⋅(EtOH)n (1-OEt⋅n EtOH), which equilibrates with the hydride [RuH(CNN)(dppb)] (1-H) and acetaldehyde. Compound 1-OEt⋅n EtOH reacts reversibly with H2 leading to 1-H and EtOH through dihydrogen splitting. NMR spectroscopic studies on 1-OEt⋅n EtOH and 1-H reveal hydrogen bond interactions and exchange processes. The chloride 1-Cl catalyzes the hydrogenation (5 atm of H2 ) of ketones to alcohols (turnover frequency (TOF) up to 6.5×10(4) h(-1) , 40 °C). DFT calculations were performed on the reaction of [RuH(CNN')(dmpb)] (2-H) (HCNN'=2-aminomethyl-6-(phenyl)pyridine; dmpb=Me2 P(CH2 )4 PMe2 ) with acetone and with one molecule of 2-propanol, in alcohol, with the alkoxide complex being the most stable species. In the first step, the Ru-hydride transfers one hydrogen atom to the carbon of the ketone, whereas the second hydrogen transfer from NH2 is mediated by the alcohol and leads to the key "amide" intermediate. Regeneration of the hydride complex may occur by reaction with 2-propanol or with H2 ; both pathways have low barriers and are alcohol assisted. PMID:25195979

  9. Spectroscopic characteristics of carbon dots (C-dots) derived from carbon fibers and conversion to sulfur-bridged C-dots nanosheets.

    PubMed

    Vinci, John C; Ferrer, Ivonne M; Guterry, Nathan W; Colón, Verónica M; Destino, Joel F; Bright, Frank V; Colón, Luis A

    2015-09-01

    We synthesized sub-10 nm carbon nanoparticles (CNPs) consistent with photoluminescent carbon dots (C-dots) from carbon fiber starting material. The production of different C-dots fractions was monitored over seven days. During the course of the reaction, one fraction of C-dots species with relatively high photoluminescence was short-lived, emerging during the first hour of reaction but disappearing after one day of reaction. Isolation of this species during the first hour of the reaction was crucial to obtaining higher-luminescent C-dots species. When the reaction proceeded for one week, the appearance of larger nanostructures was observed over time, with lateral dimensions approaching 200 nm. The experimental evidence suggests that these larger species are formed from small C-dot nanoparticles bridged together by sulfur-based moieties between the C-dot edge groups, as if the C-dots polymerized by cross-linking the edge groups through sulfur bridges. Their size can be tailored by controlling the reaction time. Our results highlight the variety of CNP products, from sub-10 nm C-dots to ~200 nm sulfur-containing carbon nanostructures, that can be produced over time during the oxidation reaction of the graphenic starting material. Our work provides a clear understanding of when to stop the oxidation reaction during the top-down production of C-dots to obtain highly photoluminescent species or a target average particle size. PMID:26254028

  10. Herschel* Observations of Interstellar Chloronium. II. Detections toward G29.96-0.02, W49N, W51, and W3(OH), and Determinations of the Ortho-to-Para and 35Cl/37Cl Isotopic Ratios

    NASA Astrophysics Data System (ADS)

    Neufeld, David A.; Black, John H.; Gerin, Maryvonne; Goicoechea, Javier R.; Goldsmith, Paul F.; Gry, Cecile; Gupta, Harshal; Herbst, Eric; Indriolo, Nick; Lis, Dariusz; Menten, Karl M.; Monje, Raquel; Mookerjea, Bhaswati; Persson, Carina; Schilke, Peter; Sonnentrucker, Paule; Wolfire, Mark G.

    2015-07-01

    We report additional detections of the chloronium molecular ion, H2Cl+, toward four bright submillimeter continuum sources: G29.96-0.02, W49N, W51, and W3(OH). With the use of the HIFI instrument on board the Herschel Space Observatory, we observed the {2}12-{1}01 transition of ortho-H{}235Cl+ at 781.627 GHz in absorption toward all four sources. Much of the detected absorption arises in diffuse foreground clouds that are unassociated with the background continuum sources and in which our best estimates of the N({{{H}}}2{{Cl}}+)/N({{H}}) ratio lie in the range (0.9-4.8) × {10}-9. These chloronium abundances relative to atomic hydrogen can exceed the predictions of current astrochemical models by up to a factor of 5. Toward W49N, we have also detected the {2}12-{1}01 transition of ortho-H{}237Cl+ at 780.053 GHz and the {1}11-{0}00 transition of para-H{}235Cl+ at 485.418 GHz. These observations imply {{{H}}}235Cl+/H{}237Cl+ column density ratios that are consistent with the solar system 35Cl/37Cl isotopic ratio of 3.1, and chloronium ortho-to-para ratios consistent with 3, the ratio of spin statistical weights. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

  11. Hydrogen nanobubble at normal hydrogen electrode

    NASA Astrophysics Data System (ADS)

    Nakabayashi, S.; Shinozaki, R.; Senda, Y.; Yoshikawa, H. Y.

    2013-05-01

    Electrochemically formed hydrogen nanobubbles at a platinum rotating disk electrode (RDE) were detected by re-oxidation charge. The dissolution time course of the hydrogen nanobubbles was measured by AFM tapping topography under open-circuit conditions at stationary platinum and gold single-crystal electrodes. The bubble dissolution at platinum was much faster than that at gold because two types of diffusion, bulk and surface diffusion, proceeded at the platinum surface, whereas surface diffusion was prohibited at the gold electrode. These findings indicated that the electrochemical reaction of normal hydrogen electrode partly proceeded heterogeneously on the three-phase boundary around the hydrogen nanobubble.

  12. 76 FR 34014 - Airworthiness Directives; Bombardier, Inc. Model CL-215-1A10, CL-215-6B11 (CL-215T Variant), and...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-06-10

    ... Procedures (44 FR 11034, February 26, 1979); and 3. Will not have a significant economic impact, positive or.... Model CL-215-1A10, CL- 215-6B11 (CL-215T Variant), and CL-215-6B11 (CL-415 Variant) Airplanes AGENCY.... Model CL-215-1A10 airplanes, serial numbers 1051 through 1125 inclusive; Model CL-215- 6B11...

  13. Development of cadmium-free quantum dot for intracellular labelling through electroporation or lipid-calcium-phosphate

    NASA Astrophysics Data System (ADS)

    Liu, Ying-Feng; Hung, Wei-Ling; Hou, Tzh-Yin; Huang, Hsiu-Ying; Lin, Cheng-An J.

    2016-04-01

    Traditional fluorescent labelling techniques has severe photo-bleaching problem such as organic dyes and fluorescent protein. Quantum dots made up of traditional semiconductor (CdSe/ZnS) material has sort of biological toxicity. This research has developed novel Cd-free quantum dots divided into semiconductor (Indium phosphide, InP) and noble metal (Gold). Former has lower toxicity compared to traditional quantum dots. Latter consisting of gold (III) chloride (AuCl3) and toluene utilizes sonochemical preparation and different stimulus to regulate fluorescent wavelength. Amphoteric macromolecule surface technology and ligand Exchange in self-Assembled are involved to develop hydrophilic nanomaterials which can regulate the number of grafts per molecule of surface functional groups. Calcium phosphate (CaP) nanoparticle (NP) with an asymmetric lipid bilayer coating technology developed for intracellular delivery and labelling has synthesized Cd-free quantum dots possessing high brightness and multi-fluorescence successfully. Then, polymer coating and ligand exchange transfer to water-soluble materials to produce liposome nanomaterials as fluorescent probes and enhancing medical applications of nanotechnology.

  14. Rovibrational states of ClHCl- isotopologues up to high J: a joint theoretical and spectroscopic investigation.

    PubMed

    Sebald, Peter; Oswald, Rainer; Botschwina, Peter; Kawaguchi, Kentarou

    2013-05-14

    Explicitly correlated coupled cluster theory at the CCSD(T*)-F12b level (T. B. Adler, G. Knizia, and H.-J. Werner, J. Chem. Phys., 2007, 127, 221106) and two precise spectroscopic parameters (K. Kawaguchi, J. Chem. Phys., 1988, 88, 4186) were used to construct an accurate near-equilibrium analytical potential energy function (PEF) for the highly anharmonic centrosymmetric hydrogen-bonded complex ClHCl(-) (Re = 3.1153 Å). From variational calculations with that PEF, a large number of rovibrational energies of different isotopologues up to high values of the rotational quantum number J was obtained. Theory helped with the assignment of lines observed by IR diode laser spectroscopy in the ν1 + ν3 combination band of (35)ClH(35)Cl(-) and (37)ClH(35)Cl(-) and enabled us to elucidate rather subtle patterns of rovibrational interactions. Furthermore, transition dipole moments were predicted and analysed as well as unusual isotopic effects. PMID:23549111

  15. Quantum phase transition in trigonal triple quantum dots: The case of quantum dots deviated from particle-hole symmetric point

    NASA Astrophysics Data System (ADS)

    Kim, Song-Hyok; Kang, Chol-Jin; Kim, Yon-Il; Kim, Kwang-Hyon

    2015-05-01

    We consider a triple quantum dot system in a triangular geometry with one of the dots connected to metallic leads. We investigate quantum phase transition between local moment phase and Kondo screened strong coupling phase in triple quantum dots where energy levels of dots are deviated from the particle-hole symmetric point. The effect of on-site energy of dots on quantum phase transition between local moment phase and Kondo screened strong coupling phase in triple quantum dots is studied based on the analytical arguments and the numerical renormalization group method. The results show that the critical value of tunnel coupling between side dots decreases when the energy level of embedded dot rises up from the symmetric point to the Fermi level and the critical value increases when the energy levels of two side dots rise up. The study of the influence of on-site-energy changes on the quantum phase transitions in triple quantum dots has the importance for clarifying the mechanism of Kondo screening in triple quantum dots where energy levels of dots are deviated from the particle-hole symmetric point.

  16. Flow-injection chemiluminescence analysis for sensitive determination of atenolol using cadmium sulfide quantum dots.

    PubMed

    Khataee, Alireza; Lotfi, Roya; Hasanzadeh, Aliyeh; Iranifam, Mortaza; Joo, Sang Woo

    2016-03-15

    A sensitive, rapid and simple flow-injection chemiluminescence (CL) system based on the light emitted from KMnO4-cadmium sulfide quantum dots (CdS QDs) reaction in the presence of cetyltrimethylammonium bromide (CTAB) in acidic medium was developed as a CL probe for the sensitive determination of atenolol. Optical and structural features of CdS QDs capped with l-cysteine, which synthesized via hydrothermal approach, were investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), photoluminescence (PL), and UV-Vis spectroscopy. The CL intensity of KMnO4-CdS QDs-CTAB was remarkably enhanced in the presence of trace level of atenolol. Under optimum experimental conditions, there is a linear relationship between the increase in CL intensity of KMnO4-CdS QDs-CTAB system and atenolol concentration in a range of 0.001 to 4.0 mg L(-1) and 4.0 to 18.0 mg L(-1), with a detection limit (3σ) of 0.0010 mg L(-1). A possible mechanism for KMnO4-CdS QDs-CTAB-atenolol CL reaction is proposed. To prove the practical application of the KMnO4-CdS QDs-CTAB CL method, the method was applied for the determination of atenolol in spiked environmental water samples and commercial pharmaceutical formulation. Furthermore, corona discharge ionization ion mobility spectrometry (CD-IMS) technique was utilized for determination of atenolol. PMID:26724494

  17. Mn(II/III) complexes as promising redox mediators in quantum-dot-sensitized solar cells.

    PubMed

    Haring, Andrew J; Pomatto, Michelle E; Thornton, Miranda R; Morris, Amanda J

    2014-09-10

    The advancement of quantum dot sensitized solar cell (QDSSC) technology depends on optimizing directional charge transfer between light absorbing quantum dots, TiO2, and a redox mediator. The nature of the redox mediator plays a pivotal role in determining the photocurrent and photovoltage from the solar cell. Kinetically, reduction of oxidized quantum dots by the redox mediator should be rapid and faster than the back electron transfer between TiO2 and oxidized quantum dots to maintain photocurrent. Thermodynamically, the reduction potential of the redox mediator should be sufficiently positive to provide high photovoltages. To satisfy both criteria and enhance power conversion efficiencies, we introduced charge transfer spin-crossover Mn(II/III) complexes as promising redox mediator alternatives in QDSSCs. High photovoltages ∼ 1 V were achieved by a series of Mn poly(pyrazolyl)borates, with reduction potentials ∼ 0.51 V vs Ag/AgCl. Back electron transfer (recombination) rates were slower than Co(bpy)3, where bpy = 2,2'-bipyridine, evidenced by electron lifetimes up to 4 orders of magnitude longer. This is indicative of a large barrier to electron transport imposed by spin-crossover in these complexes. Low solubility prevented the redox mediators from sustaining high photocurrent due to mass transport limits. However, with high fill factors (∼ 0.6) and photovoltages, they demonstrate competitive efficiencies with Co(bpy)3 redox mediator at the same concentration. More positive reduction potentials and slower recombination rates compared to current redox mediators establish the viability of Mn poly(pyrazolyl)borates as promising redox mediators. By capitalizing on these characteristics, efficient Mn(II/III)-based QDSSCs can be achieved with more soluble Mn-complexes. PMID:25137595

  18. Hydrogen energy systems studies

    SciTech Connect

    Ogden, J.M.; Kreutz, T.G.; Steinbugler, M.

    1996-10-01

    In this report the authors describe results from technical and economic assessments carried out during the past year with support from the USDOE Hydrogen R&D Program. (1) Assessment of technologies for small scale production of hydrogen from natural gas. Because of the cost and logistics of transporting and storing hydrogen, it may be preferable to produce hydrogen at the point of use from more readily available energy carriers such as natural gas or electricity. In this task the authors assess near term technologies for producing hydrogen from natural gas at small scale including steam reforming, partial oxidation and autothermal reforming. (2) Case study of developing a hydrogen vehicle refueling infrastructure in Southern California. Many analysts suggest that the first widespread use of hydrogen energy is likely to be in zero emission vehicles in Southern California. Several hundred thousand zero emission automobiles are projected for the Los Angeles Basin alone by 2010, if mandated levels are implemented. Assuming that hydrogen vehicles capture a significant fraction of this market, a large demand for hydrogen fuel could evolve over the next few decades. Refueling a large number of hydrogen vehicles poses significant challenges. In this task the authors assess near term options for producing and delivering gaseous hydrogen transportation fuel to users in Southern California including: (1) hydrogen produced from natural gas in a large, centralized steam reforming plant, and delivered to refueling stations via liquid hydrogen truck or small scale hydrogen gas pipeline, (2) hydrogen produced at the refueling station via small scale steam reforming of natural gas, (3) hydrogen produced via small scale electrolysis at the refueling station, and (4) hydrogen from low cost chemical industry sources (e.g. excess capacity in refineries which have recently upgraded their hydrogen production capacity, etc.).

  19. Hydrogen for X-group exchange in CH3X, X = Cl, Br, I, OMe and NMe2 byMonomeric [1,2,4-(Me3C)3C5H2]2CeH: Experimental and Computational Support for a Carbenoid Mechanism

    SciTech Connect

    Werkema, Evan; Andersen, Richard; Yahia, Ahmed; Maron, Laurent; Eisenstein, Odile

    2009-05-15

    The reaction between [1,2,4-(Me3C)3C5H2]2CeH, referred to as Cp'2CeH, andCH3X where X is Cl, Br, I, OMe and NMe2, are described. The reactions fall intothree distinct classes. Class a, where X = Cl, Br and I rapidly form Cp'2CeX and CH4without formation of identifiable intermediates in the 1H NMR spectra. Class b, whereX = OMe proceeds rapidly to Cp'2Ce(eta2-CH2OMe) and H2 and then to Cp'2CeOMeand CH4. The methoxymethyl derivative is sufficiently stable to be isolated andcharacterized and it is rapidly converted to Cp'2CeOMe in presence of BPh3. Class c,where X = NMe2 does not result in formation of Cp'2CeNMe2, but deuterium labelingexperiments show that H for D exchange occurs in NMe3. Density functionalcalculations DFT(B3PW91) on the reaction of (C5H5)2CeH, referred to as Cp2CeH,and CH3X show that the barrier for alpha-CH activation, resulting in formation ofCp2Ce(eta2-CH2X), proceeds with a relatively low activation barrier (DeltaG++) but thesubsequent ejection of CH2 and trapping by H2 has a higher barrier; the height of thesecond barrier lies in the order F, Cl, Br, I< OMe<< NMe2, consistent with theexperimental studies. The DFT calculations also show that the two-step reaction,which proceeds through a carbenoid intermediate, has a lower barrier than a directone-step sigma bond metathesis mechanism. The reaction of Cp2CeCH2OMe and BPh3 is calculated to be a low barrier process and the ylide, CH2(+)BPh3(-), is a transition state and not an intermediate.

  20. The structure evolution mechanism of electrodeposited porous Ni films on NH4Cl concentration

    NASA Astrophysics Data System (ADS)

    Yu, Xiangtao; Wang, Mingyong; Wang, Zhi; Gong, Xuzhong; Guo, Zhancheng

    2016-01-01

    NH4Cl was an important component for the electrodeposition of porous metal films through hydrogen bubble template approach. The effects of NH4Cl concentrations on pore formation and structure evolution of the electrodeposited porous Ni films were studied. It was found that Ni films electrodeposited from solutions with 0.25-0.35 M NH4Cl were compact. When NH4Cl concentrations were 0.4-0.75 M and 0.85-3 M, porous Ni films with dish-like and honeycomb-like pores were electrodeposited, respectively. To form porous structure, the critical amounts of Ni in mass deposited onto the electrode must be achieved. However, at lower NH4Cl concentration, Ni electrodeposition was interrupted after about 15 s due to Ni2+ hydrolysis. The critical amounts of Ni in mass were not reached, and compact Ni films were obtained. When NH4Cl concentrations exceeded 0.4 M, Ni2+ hydrolysis was inhibited due to the enhanced buffer ability of solution and Ni(NH3)n2+ (2 ≤ n ≤ 6) complexes became the discharged ions. Ni electrodeposition proceeded continuously and reached the critical amounts of Ni in mass, and porous Ni films were formed. At higher NH4Cl concentration, hydrogen was produced mainly by the electrochemical reduction of NH4+. pH near cathode was hardly changed, and Ni2+ ions with low overpotential were reduced. The rough Ni films were formed, which led to smaller break-off diameter of bubbles. Therefore, the pore sizes of Ni films were decreased.

  1. Luminescent, water-soluble silicon quantum dots via micro-plasma surface treatment

    NASA Astrophysics Data System (ADS)

    Wu, Jeslin J.; Kondeti, Vighneswara Siva Santosh Kumar; Bruggeman, Peter J.; Kortshagen, Uwe R.

    2016-03-01

    Silicon quantum dots (SiQDs), with their broad absorption, narrow and size-tunable emission, and potential biocompatibility are highly attractive materials in biological imaging applications. The inherent hydrophobicity and instability of hydrogen-terminated SiQDs are obstacles to their widespread implementation. In this work, we successfully produced highly luminescent, hydrophilic SiQDs with long-term stability in water using non-thermal plasma techniques. Hydrogen-terminated SiQDs were produced in a low-pressure plasma and subsequently treated in water using an atmospheric-pressure plasma jet for surface modification. Preliminary assessments of the chemical mechanism(s) involved in the creation of water-soluble SiQDs were performed using Fenton’s reaction and various plasma chemistries, suggesting both OH and O species play a key role in the oxidation of the SiQDs.

  2. A study of the lunisolar secular resonance 2dot{ω}+dot{Ω}=0

    NASA Astrophysics Data System (ADS)

    Celletti, Alessandra; Gales, Catalin

    2016-03-01

    The dynamics of small bodies around the Earth has gained a renewed interest, since the awareness of the problems that space debris can cause in the nearby future. A relevant role in space debris is played by lunisolar secular resonances, which might contribute to an increase of the orbital elements, typically of the eccentricity. We concentrate our attention on the lunisolar secular resonance described by the relation 2dot{ω}+dot{Ω}=0, where ω and Ω denote the argument of perigee and the longitude of the ascending node of the space debris. We introduce three different models with increasing complexity. We show that the growth in eccentricity, as observed in space debris located in the MEO region at the inclination about equal to 56°, can be explained as a natural effect of the secular resonance 2dot{ω}+dot{Ω}=0, while the chaotic variations of the orbital parameters are the result of interaction and overlapping of nearby resonances.

  3. Generation of singlet oxygen and other radical species by quantum dot and carbon dot nanosensitizers

    NASA Astrophysics Data System (ADS)

    Generalov, Roman; Christensen, Ingeborg L.; Chen, Wei; Sun, Ya-Ping; Kristensen, Solveig; Juzenas, Petras

    2009-06-01

    Medicinal applications of luminescent semiconductor quantum dots are of growing interest. In spite of the fact that their fabrication and imaging applications have been extensively investigated for the last decade, very little is documented on photodynamic action of quantum dots. In this study we demonstrate generation of singlet oxygen and other radical species upon exposure of quantum dots to blue light and therapeutic red light. Extent of radical production can be readily modified by antioxidants. Lay and scientific communities are two sites concerning potential hazards and enthusiastic applications of nanotechnology. Synthesis of quantum dots composed of less toxic materials is of great interest. A new candidate is a ubiquitous element carbon, which on nanoscale exhibits strong photoluminescence.

  4. Concentration of Hydrogen Peroxide

    NASA Technical Reports Server (NTRS)

    Parrish, Clyde F. (Inventor)

    2006-01-01

    Methods for concentrating hydrogen peroxide solutions have been described. The methods utilize a polymeric membrane separating a hydrogen peroxide solution from a sweep gas or permeate. The membrane is selective to the permeability of water over the permeability of hydrogen peroxide, thereby facilitating the concentration of the hydrogen peroxide solution through the transport of water through the membrane to the permeate. By utilizing methods in accordance with the invention, hydrogen peroxide solutions of up to 85% by volume or higher may be generated at a point of use without storing substantial quantities of the highly concentrated solutions and without requiring temperatures that would produce explosive mixtures of hydrogen peroxide vapors.

  5. Comparative Study of Cl-Atom Reactions in Solution Using Time-Resolved Vibrational Spectroscopy.

    PubMed

    Shin, Jae Yoon; Case, Amanda S; Crim, F Fleming

    2016-04-28

    A Cl atom can react with 2,3-dimethylbutane (DMB), 2,3-dimethyl-2-butene (DMBE), and 2,5-dimethyl-2,4-hexadiene (DMHD) in solution via a hydrogen-abstraction reaction. The large exoergicity of the reaction between a Cl atom and alkenes (DMBE and DMHD) makes vibrational excitation of the HCl product possible, and we observe the formation of vibrationally excited HCl (v = 1) for both reactions. In CCl4, the branching fractions of HCl (v = 1), Γ (v = 1), for the Cl-atom reactions with DMBE and DMHD are 0.14 and 0.23, respectively, reflecting an increased amount of vibrational excitation in the products of the more exoergic reaction. In addition, Γ (v = 1) for both reactions is larger in the solvent CDCl3, being 0.23 and 0.40, as the less viscous solvent apparently dampens the vibrational excitation of the nascent HCl less effectively. The bimolecular reaction rates for the Cl reactions with DMB, DMBE, and DMHD in CCl4 are diffusion limited (having rate constants of 1.5 × 10(10), 3.6 × 10(10), and 17.5 × 10(10) M(-1) s(-1), respectively). In fact, the bimolecular reaction rate for Cl + DMHD exceeds a typical diffusion-limited reaction rate, implying that the attractive intermolecular forces between a Cl atom and a C═C bond increase the rate of favorable encounters. The 2-fold increase in the reaction rate of the Cl + DMBE reaction from that of the Cl + DMB reaction likely reflects the effect of the C═C bond, while both the number of C═C bonds and the molecular geometry likely play a role in the large reaction rate of the Cl + DMHD reaction. PMID:27046419

  6. Lateral excitonic switching in vertically stacked quantum dots

    NASA Astrophysics Data System (ADS)

    Jarzynka, Jarosław R.; McDonald, Peter G.; Shumway, John; Galbraith, Ian

    2016-06-01

    We show that the application of a vertical electric field to the Coulomb interacting system in stacked quantum dots leads to a 90° in-plane switching of charge probability distribution in contrast to a single dot, where no such switching exists. Results are obtained using path integral quantum Monte Carlo with realistic dot geometry, alloy composition, and piezo-electric potential profiles. The origin of the switching lies in the strain interactions between the stacked dots hence the need for more than one layer of dots. The lateral polarization and electric field dependence of the radiative lifetimes of the excitonic switch are also discussed.

  7. Reconfigurable visible quantum dot microlasers integrated on a silicon chip

    NASA Astrophysics Data System (ADS)

    Mehrabani, Simin; Hunt, Heather K.; Armani, Andrea M.

    2012-02-01

    Developing on-chip, dynamically reconfigurable visible lasers that can be integrated with additional optical and electronic components will enable adaptive optical components. In the present work, we demonstrate a reconfigurable quantum dot laser based on an integrated silica ultra high-Q microcavity. By attaching the quantum dot using a reversible, non-destructive bioconjugation process, the ability to remove and replace it with an alternative quantum dot without damaging the underlying microcavity device has been demonstrated. As a result of the absorption/emission characteristics of quantum dots, the same laser source can be used to excite quantum dots with distinct emission wavelengths.

  8. On the ClC halogen bond: a rotational study of CF3Cl-CO.

    PubMed

    Caminati, Walther; Evangelisti, Luca; Feng, Gang; Giuliano, Barbara M; Gou, Qian; Melandri, Sonia; Grabow, Jens-Uwe

    2016-07-21

    The rotational spectra of two isotopologues (CF3(35)Cl-CO and CF3(37)Cl-CO) of the CF3Cl-CO adduct have been investigated and analyzed using supersonic-jet Fourier transform microwave spectroscopy, and found to have the features of a symmetric top. Rotational, centrifugal distortion, and nuclear quadrupole ((35)Cl and (37)Cl) coupling constants have been precisely obtained from high-resolution measurements. The two subunits of the complex are held together via a ClC halogen bond interaction. Information on the internal dynamics and the dissociation energy of the complex is provided. PMID:27049637

  9. Energy levels and mean lives of Cl II to Cl VII.

    NASA Technical Reports Server (NTRS)

    Bashkin, S.; Martinson, I.

    1971-01-01

    Investigation of the spectra of chlorine between 500 and 2800 A using the beam-foil technique. Over 200 multiplets have been observed, many of which had not been reported earlier. A number of such transitions could be classified, and several new term values are proposed for Cl IV, Cl V, Cl VI , and Cl VII. Mean lives of various excited levels were measured for Cl II to Cl VII. The results are compared with theoretical calculations and other measurements in appropriate isoelectronic systems.

  10. Synthesis of CdSe quantum dots for quantum dot sensitized solar cell

    SciTech Connect

    Singh, Neetu Kapoor, Avinashi; Kumar, Vinod; Mehra, R. M.

    2014-04-24

    CdSe Quantum Dots (QDs) of size 0.85 nm were synthesized using chemical route. ZnO based Quantum Dot Sensitized Solar Cell (QDSSC) was fabricated using CdSe QDs as sensitizer. The Pre-synthesized QDs were found to be successfully adsorbed on front ZnO electrode and had potential to replace organic dyes in Dye Sensitized Solar Cells (DSSCs). The efficiency of QDSSC was obtained to be 2.06 % at AM 1.5.

  11. Inter-dot strain field effect on the optoelectronic properties of realistic InP lateral quantum-dot molecules

    NASA Astrophysics Data System (ADS)

    Barettin, Daniele; Auf der Maur, Matthias; De Angelis, Roberta; Prosposito, Paolo; Casalboni, Mauro; Pecchia, Alessandro

    2015-03-01

    We report on numerical simulations of InP surface lateral quantum-dot molecules on In0.48Ga0.52P buffer, using a model strictly derived by experimental results by extrapolation of the molecules shape from atomic force microscopy images. Our study has been inspired by the comparison of a photoluminescence spectrum of a high-density InP surface quantum dot sample with a numerical ensemble average given by a weighted sum of simulated single quantum-dot spectra. A lack of experimental optical response from the smaller dots of the sample is found to be due to strong inter-dot strain fields, which influence the optoelectronic properties of lateral quantum-dot molecules. Continuum electromechanical, k →.p → bandstructure, and optical calculations are presented for two different molecules, the first composed of two dots of nearly identical dimensions (homonuclear), the second of two dots with rather different sizes (heteronuclear). We show that in the homonuclear molecule the hydrostatic strain raises a potential barrier for the electrons in the connection zone between the dots, while conversely the holes do not experience any barrier, which considerably increases the coupling. Results for the heteronuclear molecule show instead that its dots do not appear as two separate and distinguishable structures, but as a single large dot, and no optical emission is observed in the range of higher energies where the smaller dot is supposed to emit. We believe that in samples of such a high density the smaller dots result as practically incorporated into bigger molecular structures, an effect strongly enforced by the inter-dot strain fields, and consequently it is not possible to experimentally obtain a separate optical emission from the smaller dots.

  12. Inter-dot strain field effect on the optoelectronic properties of realistic InP lateral quantum-dot molecules

    SciTech Connect

    Barettin, Daniele Auf der Maur, Matthias; De Angelis, Roberta; Prosposito, Paolo; Casalboni, Mauro; Pecchia, Alessandro

    2015-03-07

    We report on numerical simulations of InP surface lateral quantum-dot molecules on In{sub 0.48}Ga{sub 0.52 }P buffer, using a model strictly derived by experimental results by extrapolation of the molecules shape from atomic force microscopy images. Our study has been inspired by the comparison of a photoluminescence spectrum of a high-density InP surface quantum dot sample with a numerical ensemble average given by a weighted sum of simulated single quantum-dot spectra. A lack of experimental optical response from the smaller dots of the sample is found to be due to strong inter-dot strain fields, which influence the optoelectronic properties of lateral quantum-dot molecules. Continuum electromechanical, k{sup →}·p{sup →} bandstructure, and optical calculations are presented for two different molecules, the first composed of two dots of nearly identical dimensions (homonuclear), the second of two dots with rather different sizes (heteronuclear). We show that in the homonuclear molecule the hydrostatic strain raises a potential barrier for the electrons in the connection zone between the dots, while conversely the holes do not experience any barrier, which considerably increases the coupling. Results for the heteronuclear molecule show instead that its dots do not appear as two separate and distinguishable structures, but as a single large dot, and no optical emission is observed in the range of higher energies where the smaller dot is supposed to emit. We believe that in samples of such a high density the smaller dots result as practically incorporated into bigger molecular structures, an effect strongly enforced by the inter-dot strain fields, and consequently it is not possible to experimentally obtain a separate optical emission from the smaller dots.

  13. Small bright charged colloidal quantum dots.

    PubMed

    Qin, Wei; Liu, Heng; Guyot-Sionnest, Philippe

    2014-01-28

    Using electrochemical charge injection, the fluorescence lifetimes of negatively charged core/shell CdTe/CdSe QDs are measured as a function of core size and shell thickness. It is found that the ensemble negative trion lifetimes reach a maximum (∼4.5 ns) for an intermediate shell thickness. This leads to the smallest particles (∼4.5 nm) with the brightest trion to date. Single dot measurements show that the negative charge suppresses blinking and that the trion can be as bright as the exciton at room temperature. In contrast, the biexciton lifetimes remain short and exhibit only a monotonous increase with shell thickness, showing no correlation with the negative trion decays. The suppression of the Auger process in small negatively charged CdTe/CdSe quantum dots is unprecedented and a significant departure from prior results with ultrathick CdSe/CdS core/shell or dot-in-rod structures. The proposed reason for the optimum shell thickness is that the electron-hole overlap is restricted to the CdTe core while the electron is tuned to have zero kinetic energy in the core for that optimum shell thickness. The different trend of the biexciton lifetime is not explained but tentatively attributed to shorter-lived positive trions at smaller sizes. These results improve our understanding of multiexciton recombination in colloidal quantum dots and may lead to the design of bright charged QDs for more efficient light-emitting devices. PMID:24350673

  14. Resistance to Black Dot in Potato

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Black dot fungus can colonize tubers on the surface, in the stolon end, or in a combination of both.On the surface the fungus is prevalent as sclerotia, and in the stolon end the fungus colonizes the vascular tissuesas hyphae. The fungus is introduced to non-infested soils mostly by infected potato ...

  15. New small quantum dots for neuroscience

    NASA Astrophysics Data System (ADS)

    Selvin, Paul

    2014-03-01

    In "New Small Quantum Dots for Neuroscience," Paul Selvin (University of Illinois, Urbana-Champaign) notes how the details of synapsis activity in the brain involves chemical receptors that facilitate the creation of the electrical connection between two nerves. In order to understand the details of this neuroscience phenomenon you need to be able to "see" what is happening at the scale of these receptors, which is around 10 nanometers. This is smaller than the diffraction limit of normal microscopy and it takes place on a 3 dimensional structure. Selvin describes the development of small quantum dots (on the order of 6-9 microns) that are surface-sensitized to interact with the receptors. This allows the application of photo-activated localized microscopy (PALM), a superresolution microscopy that can be scanned through focus to develop a 3D map on a scale that is the same size as the emitter, which in this case are the small quantum dots. The quantum dots are stable in time and provide access to the receptors which allows the imaging of the interactions taking place at the synoptic level.

  16. Quantum dot quantum cascade infrared photodetector

    NASA Astrophysics Data System (ADS)

    Wang, Xue-Jiao; Zhai, Shen-Qiang; Zhuo, Ning; Liu, Jun-Qi; Liu, Feng-Qi; Liu, Shu-Man; Wang, Zhan-Guo

    2014-04-01

    We demonstrate an InAs quantum dot quantum cascade infrared photodetector operating at room temperature with a peak detection wavelength of 4.3 μm. The detector shows sensitive photoresponse for normal-incidence light, which is attributed to an intraband transition of the quantum dots and the following transfer of excited electrons on a cascade of quantum levels. The InAs quantum dots for the infrared absorption were formed by making use of self-assembled quantum dots in the Stranski-Krastanov growth mode and two-step strain-compensation design based on InAs/GaAs/InGaAs/InAlAs heterostructure, while the following extraction quantum stairs formed by LO-phonon energy are based on a strain-compensated InGaAs/InAlAs chirped superlattice. Johnson noise limited detectivities of 3.64 × 1011 and 4.83 × 106 Jones at zero bias were obtained at 80 K and room temperature, respectively. Due to the low dark current and distinct photoresponse up to room temperature, this device can form high temperature imaging.

  17. Grating image with desired shaped dots

    NASA Astrophysics Data System (ADS)

    Honma, Hideaki; Toda, Toshiki; Takahashi, Susumu; Sawamura, Chikara; Iwata, Fujio

    2000-03-01

    A new type of Grating Image we dominate as `Sparklegram' is presented. The Sparklegram is characterized because it provides high quality and better design flexibility. These features are achieved by constructing it with shaped dots as desired. Each dot can be designed as an individual shape, for example, a star or a triangle. As dot shapes, we can use not only geometric patterns, but also some kind of symbols. Not only flexibility of each consists dot shape, but also the quality of reconstructed image is remarkably increased too. Because of these features, the constructed image with the new type of Grating Image, Sparklegram has high quality and high flexibility. It can be applied to security use, for example on credit-cards, tickets, etc., and also can be applied to the package of software products, CDs, videos and other kind of items requiring security. And with these features of flexibility and high quality, Sparklegram has also advantages to be applied to other use, for example amusement use, comics and game characters' goods and packages.

  18. Quantum dot quantum cascade infrared photodetector

    SciTech Connect

    Wang, Xue-Jiao; Zhai, Shen-Qiang; Zhuo, Ning; Liu, Jun-Qi E-mail: fqliu@semi.ac.cn; Liu, Feng-Qi E-mail: fqliu@semi.ac.cn; Liu, Shu-Man; Wang, Zhan-Guo

    2014-04-28

    We demonstrate an InAs quantum dot quantum cascade infrared photodetector operating at room temperature with a peak detection wavelength of 4.3 μm. The detector shows sensitive photoresponse for normal-incidence light, which is attributed to an intraband transition of the quantum dots and the following transfer of excited electrons on a cascade of quantum levels. The InAs quantum dots for the infrared absorption were formed by making use of self-assembled quantum dots in the Stranski–Krastanov growth mode and two-step strain-compensation design based on InAs/GaAs/InGaAs/InAlAs heterostructure, while the following extraction quantum stairs formed by LO-phonon energy are based on a strain-compensated InGaAs/InAlAs chirped superlattice. Johnson noise limited detectivities of 3.64 × 10{sup 11} and 4.83 × 10{sup 6} Jones at zero bias were obtained at 80 K and room temperature, respectively. Due to the low dark current and distinct photoresponse up to room temperature, this device can form high temperature imaging.

  19. Nanocomposites of POC and quantum dots

    NASA Astrophysics Data System (ADS)

    Borriello, C.; Concilio, S.; Minarini, C.; Iannelli, P.; Di Luccio, T.

    2012-07-01

    New luminescent polymer nanocomposites were synthesized combining carbazole/oxadiazole copolymer (POC) and CdSe/ZnS quantum dots (QDs) surface passivated by ionic liquids. Ionic liquid ligands improve the photostability of QDs and their compatibility with polymer allowing the deposition of homogeneous nanocomposites films. The nanocomposites were characterized by UV and photoluminescence spectroscopy.

  20. Producing Quantum Dots by Spray Pyrolysis

    NASA Technical Reports Server (NTRS)

    Banger, Kulbinder; Jin, Michael H.; Hepp, Aloysius

    2006-01-01

    An improved process for making nanocrystallites, commonly denoted quantum dots (QDs), is based on spray pyrolysis. Unlike the process used heretofore, the improved process is amenable to mass production of either passivated or non-passivated QDs, with computer control to ensure near uniformity of size.

  1. Quantum-dot infrared photodetectors: a review

    NASA Astrophysics Data System (ADS)

    Stiff-Roberts, Adrienne D.

    2009-04-01

    Quantum-dot infrared photodetectors (QDIPs) are positioned to become an important technology in the field of infrared (IR) detection, particularly for high-temperature, low-cost, high-yield detector arrays required for military applications. High-operating temperature (>=150 K) photodetectors reduce the cost of IR imaging systems by enabling cryogenic dewars and Stirling cooling systems to be replaced by thermo-electric coolers. QDIPs are well-suited for detecting mid-IR light at elevated temperatures, an application that could prove to be the next commercial market for quantum dots. While quantum dot epitaxial growth and intraband absorption of IR radiation are well established, quantum dot non-uniformity remains as a significant challenge. Nonetheless, state-of-the-art mid-IR detection at 150 K has been demonstrated using 70-layer InAs/GaAs QDIPs, and QDIP focal plane arrays are approaching performance comparable to HgCdTe at 77 K. By addressing critical challenges inherent to epitaxial QD material systems (e.g., controlling dopant incorporation), exploring alternative QD systems (e.g., colloidal QDs), and using bandgap engineering to reduce dark current and enhance multi-spectral detection (e.g. resonant tunneling QDIPs), the performance and applicability of QDIPs will continue to improve.

  2. Hydrogen Halides on Jupiter and Saturn

    NASA Astrophysics Data System (ADS)

    Showman, Adam P.

    2001-07-01

    The quest to detect gaseous HCl, HBr, and HF in the atmospheres of Jupiter and Saturn has led to a tentative detection of 1 ppb HCl near Saturn's cloud deck. The detection is puzzling because, while these hydrogen halides may be present several scale heights below the clouds, they are expected to react with ammonia to form solid ammonium halide salts in the upper troposphere. I show that the loss timescale for condensation of gaseous hydrogen halides onto particles is ˜10 3-10 5 s for realistic cloud densities and particle sizes, which is much less than the ˜10 8 s residence time of upper tropospheric air. The hydrogen halides can only survive transport up to the cloud layer if less than 1 in 10 6 of their collisions with particle surfaces leads to condensation, which is unlikely. Even in the absence of foreign particles, homogeneous nucleation would probably prevent supersaturations in excess of a few hundred, which is ˜10 20-10 40 times too low to explain the observation. These calculations therefore suggest that hydrogen halides cannot exist at part-per-billion levels in the upper troposphere. The interplanetary source of halogens is also too low to produce detectable quantities of hydrogen halides except perhaps at pressures less than 1 mbar. A possible detection of chlorine by the Galileo probe at pressures exceeding 9 bars on Jupiter may be consistent with the equilibrium abundance of gaseous HCl or NH 4Cl.

  3. Annealing-induced change in quantum dot chain formation mechanism

    NASA Astrophysics Data System (ADS)

    Park, Tyler D.; Colton, John S.; Farrer, Jeffrey K.; Yang, Haeyeon; Kim, Dong Jun

    2014-12-01

    Self-assembled InGaAs quantum dot chains were grown using a modified Stranski-Krastanov method in which the InGaAs layer is deposited under a low growth temperature and high arsenic overpressure, which suppresses the formation of dots until a later annealing process. The dots are capped with a 100 nm GaAs layer. Three samples, having three different annealing temperatures of 460°C, 480°C, and 500°C, were studied by transmission electron microscopy. Results indicate two distinct types of dot formation processes: dots in the 460°C and 480°C samples form from platelet precursors in a one-to-one ratio whereas the dots in the sample annealed at 500°C form through the strain-driven self-assembly process, and then grow larger via an additional Ostwald ripening process whereby dots grow into larger dots at the expense of smaller seed islands. There are consequently significant morphological differences between the two types of dots, which explain many of the previously-reported differences in optical properties. Moreover, we also report evidence of indium segregation within the dots, with little or no indium intermixing between the dots and the surrounding GaAs barrier.

  4. Annealing-induced change in quantum dot chain formation mechanism

    SciTech Connect

    Park, Tyler D.; Colton, John S.; Farrer, Jeffrey K.; Yang, Haeyeon; Kim, Dong Jun

    2014-12-15

    Self-assembled InGaAs quantum dot chains were grown using a modified Stranski-Krastanov method in which the InGaAs layer is deposited under a low growth temperature and high arsenic overpressure, which suppresses the formation of dots until a later annealing process. The dots are capped with a 100 nm GaAs layer. Three samples, having three different annealing temperatures of 460°C, 480°C, and 500°C, were studied by transmission electron microscopy. Results indicate two distinct types of dot formation processes: dots in the 460°C and 480°C samples form from platelet precursors in a one-to-one ratio whereas the dots in the sample annealed at 500°C form through the strain-driven self-assembly process, and then grow larger via an additional Ostwald ripening process whereby dots grow into larger dots at the expense of smaller seed islands. There are consequently significant morphological differences between the two types of dots, which explain many of the previously-reported differences in optical properties. Moreover, we also report evidence of indium segregation within the dots, with little or no indium intermixing between the dots and the surrounding GaAs barrier.

  5. Language, visual working memory, and dot subtraction: What counts?

    PubMed

    Briere, Jennifer L; Campbell, Jamie I D

    2016-03-01

    To investigate cognitive factors affecting subtraction of visual objects, we adapted the dot subtraction task developed by Pica, Lemer, Izard, and Dehaene (2004), who used it to investigate calculation by the Mundurukú, an indigene group in Brazil that has a limited number word vocabulary. In the dot subtraction task, briefly displayed arrays of moving dots are used to represent the quantities for subtraction. We tested 40 Canadian university students' dot enumeration, Arabic digit subtraction, visual working memory, and performance on the dot subtraction task with dot display durations of 2, 1.5, 1, and .5 s. In the 2 s condition, error rates were uniformly low, whereas in the .5 s condition, error rates increased sharply as the minuend increased from 4 to 8, as was observed with the Mundurukú. Individual differences in dot subtraction accuracy were predicted by dot enumeration skill with longer dot display durations but were predicted by visual working memory efficiency with shorter durations. Pica et al. (2004) attributed the Mundurukú participants' very poor subtraction to the absence of counting words, but our results show that a shift to reliance on visual working memory is a nonlinguistic factor that comes into play in the dot subtraction task when time to encode the dot arrays is limited. (PsycINFO Database Record PMID:26372056

  6. Optical properties of quantum-dot-doped liquid scintillators

    PubMed Central

    Aberle, C.; Li, J.J.; Weiss, S.; Winslow, L.

    2014-01-01

    Semiconductor nanoparticles (quantum dots) were studied in the context of liquid scintillator development for upcoming neutrino experiments. The unique optical and chemical properties of quantum dots are particularly promising for the use in neutrinoless double-beta decay experiments. Liquid scintillators for large scale neutrino detectors have to meet specific requirements which are reviewed, highlighting the peculiarities of quantum-dot-doping. In this paper, we report results on laboratory-scale measurements of the attenuation length and the fluorescence properties of three commercial quantum dot samples. The results include absorbance and emission stability measurements, improvement in transparency due to filtering of the quantum dot samples, precipitation tests to isolate the quantum dots from solution and energy transfer studies with quantum dots and the fluorophore PPO. PMID:25392711

  7. Metal and precursor effect during 1-heptyne selective hydrogenation using an activated carbon as support.

    PubMed

    Lederhos, Cecilia R; Badano, Juan M; Carrara, Nicolas; Coloma-Pascual, Fernando; Almansa, M Cristina; Liprandi, Domingo; Quiroga, Mónica

    2013-01-01

    Palladium, platinum, and ruthenium supported on activated carbon were used as catalysts for the selective hydrogenation of 1-heptyne, a terminal alkyne. All catalysts were characterized by temperature programmed reduction, X-ray diffraction, transmission electron microscopy, and X-ray photoelectron spectroscopy. TPR and XPS suggest that the metal in all catalysts is reduced after the pretreatment with H2 at 673 K. The TPR trace of the PdNRX catalyst shows that the support surface groups are greatly modified as a consequence of the use of HNO3 during the catalyst preparation. During the hydrogenation of 1-heptyne, both palladium catalysts were more active and selective than the platinum and ruthenium catalysts. The activity order of the catalysts is as follows: PdClRX>PdNRX>PtClRX≫RuClRX. This superior performance of PdClRX was attributed in part to the total occupancy of the d electronic levels of the Pd metal that is supposed to promote the rupture of the H2 bond during the hydrogenation reaction. The activity differences between PdClRX and PdNRX catalysts could be attributed to a better accessibility of the substrate to the active sites, as a consequence of steric and electronic effects of the superficial support groups. The order for the selectivity to 1-heptene is as follows: PdClRX=PdNRX>RuClRX>PtClRX, and it can be mainly attributed to thermodynamic effects. PMID:24348168

  8. Photocatalytic Hydrogen Generation by CdSe/CdS Nanoparticles.

    PubMed

    Qiu, Fen; Han, Zhiji; Peterson, Jeffrey J; Odoi, Michael Y; Sowers, Kelly L; Krauss, Todd D

    2016-09-14

    The photocatalytic hydrogen (H2) production activity of various CdSe semiconductor nanoparticles was compared including CdSe and CdSe/CdS quantum dots (QDs), CdSe quantum rods (QRs), and CdSe/CdS dot-in-rods (DIRs). With equivalent photons absorbed, the H2 generation activity orders as CdSe QDs ≫ CdSe QRs > CdSe/CdS QDs > CdSe/CdS DIRs, which is surprisingly the opposite of the electron-hole separation efficiency. Calculations of photoexcited surface charge densities are positively correlated with the H2 production rate and suggest the size of the nanoparticle plays a critical role in determining the relative efficiency of H2 production. PMID:27478995

  9. Si quantum dots in silicon nitride: Quantum confinement and defects

    SciTech Connect

    Goncharova, L. V. Karner, V. L.; D'Ortenzio, R.; Chaudhary, S.; Mokry, C. R.; Simpson, P. J.; Nguyen, P. H.

    2015-12-14

    Luminescence of amorphous Si quantum dots (Si QDs) in a hydrogenated silicon nitride (SiN{sub x}:H) matrix was examined over a broad range of stoichiometries from Si{sub 3}N{sub 2.08} to Si{sub 3}N{sub 4.14}, to optimize light emission. Plasma-enhanced chemical vapor deposition was used to deposit hydrogenated SiN{sub x} films with excess Si on Si (001) substrates, with stoichiometry controlled by variation of the gas flow rates of SiH{sub 4} and NH{sub 3} gases. The compositional and optical properties were analyzed by Rutherford backscattering spectroscopy, elastic recoil detection, spectroscopic ellipsometry, photoluminescence (PL), time-resolved PL, and energy-filtered transmission electron microscopy. Ultraviolet-laser-excited PL spectra show multiple emission bands from 400 nm (3.1 eV) to 850 nm (1.45 eV) for different Si{sub 3}N{sub x} compositions. There is a red-shift of the measured peaks from ∼2.3 eV to ∼1.45 eV as Si content increases, which provides evidence for quantum confinement. Higher N content samples show additional peaks in their PL spectra at higher energies, which we attribute to defects. We observed three different ranges of composition where Tauc band gaps, PL, and PL lifetimes change systematically. There is an interesting interplay of defect luminescence and, possibly, small Si QD luminescence observed in the intermediate range of compositions (∼Si{sub 3}N{sub 3.15}) in which the maximum of light emission is observed.

  10. Si quantum dots in silicon nitride: Quantum confinement and defects

    NASA Astrophysics Data System (ADS)

    Goncharova, L. V.; Nguyen, P. H.; Karner, V. L.; D'Ortenzio, R.; Chaudhary, S.; Mokry, C. R.; Simpson, P. J.

    2015-12-01

    Luminescence of amorphous Si quantum dots (Si QDs) in a hydrogenated silicon nitride (SiNx:H) matrix was examined over a broad range of stoichiometries from Si3N2.08 to Si3N4.14, to optimize light emission. Plasma-enhanced chemical vapor deposition was used to deposit hydrogenated SiNx films with excess Si on Si (001) substrates, with stoichiometry controlled by variation of the gas flow rates of SiH4 and NH3 gases. The compositional and optical properties were analyzed by Rutherford backscattering spectroscopy, elastic recoil detection, spectroscopic ellipsometry, photoluminescence (PL), time-resolved PL, and energy-filtered transmission electron microscopy. Ultraviolet-laser-excited PL spectra show multiple emission bands from 400 nm (3.1 eV) to 850 nm (1.45 eV) for different Si3Nx compositions. There is a red-shift of the measured peaks from ˜2.3 eV to ˜1.45 eV as Si content increases, which provides evidence for quantum confinement. Higher N content samples show additional peaks in their PL spectra at higher energies, which we attribute to defects. We observed three different ranges of composition where Tauc band gaps, PL, and PL lifetimes change systematically. There is an interesting interplay of defect luminescence and, possibly, small Si QD luminescence observed in the intermediate range of compositions (˜Si3N3.15) in which the maximum of light emission is observed.

  11. Optically controlled spins in semiconductor quantum dots

    NASA Astrophysics Data System (ADS)

    Economou, Sophia

    2010-03-01

    Spins in charged semiconductor quantum dots are currently generating much interest, both from a fundamental physics standpoint, as well as for their potential technological relevance. Being naturally a two-level quantum system, each of these spins can encode a bit of quantum information. Optically controlled spins in quantum dots possess several desirable properties: their spin coherence times are long, they allow for all-optical manipulation---which translates into fast logic gates---and their coupling to photons offers a straightforward route to exchange of quantum information between spatially separated sites. Designing the laser fields to achieve the unprecedented amount of control required for quantum information tasks is a challenging goal, towards which there has been recent progress. Special properties of hyperbolic secant optical pulses enabled the design of single qubit rotations, initially developed about the growth axis z [1], and later about an arbitrary direction [2]. Recently we demonstrated our theoretical proposal [1] in an ensemble of InAs/GaAs quantum dots by implementing ultrafast rotations about the z axis by an arbitrary angle [3], with the angle of rotation as a function of the optical detuning in excellent agreement with the theoretical prediction. We also developed two-qubit conditional control in a quantum dot `molecule' using the electron-hole exchange interaction [4]. In addition to its importance in quantum dot-based quantum computation, our two-qubit gate can also play an important role in photonic cluster state generation for measurement-based quantum computing [5]. [1] S. E. Economou, L. J. Sham, Y. Wu, D. S. Steel, Phys. Rev. 74, 205415 (2006) [2] S. E. Economou and T. L. Reinecke, Phys. Rev. Lett., 99, 217401 (2007) [3] A. Greilich, S. E. Economou et al, Nature Phys. 5, 262 (2009) [4] S. E. Economou and T. L. Reinecke, Phys. Rev. B, 78, 115306 (2008) [5] S. E. Economou, N. H. Lindner, and T. Rudolph, in preparation

  12. Hydrogen transport membranes

    DOEpatents

    Mundschau, Michael V.

    2005-05-31

    Composite hydrogen transport membranes, which are used for extraction of hydrogen from gas mixtures are provided. Methods are described for supporting metals and metal alloys which have high hydrogen permeability, but which are either too thin to be self supporting, too weak to resist differential pressures across the membrane, or which become embrittled by hydrogen. Support materials are chosen to be lattice matched to the metals and metal alloys. Preferred metals with high permeability for hydrogen include vanadium, niobium, tantalum, zirconium, palladium, and alloys thereof. Hydrogen-permeable membranes include those in which the pores of a porous support matrix are blocked by hydrogen-permeable metals and metal alloys, those in which the pores of a porous metal matrix are blocked with materials which make the membrane impervious to gases other than hydrogen, and cermets fabricated by sintering powders of metals with powders of lattice-matched ceramic.

  13. Hydrogen production by Cyanobacteria

    PubMed Central

    Dutta, Debajyoti; De, Debojyoti; Chaudhuri, Surabhi; Bhattacharya, Sanjoy K

    2005-01-01

    The limited fossil fuel prompts the prospecting of various unconventional energy sources to take over the traditional fossil fuel energy source. In this respect the use of hydrogen gas is an attractive alternate source. Attributed by its numerous advantages including those of environmentally clean, efficiency and renew ability, hydrogen gas is considered to be one of the most desired alternate. Cyanobacteria are highly promising microorganism for hydrogen production. In comparison to the traditional ways of hydrogen production (chemical, photoelectrical), Cyanobacterial hydrogen production is commercially viable. This review highlights the basic biology of cynobacterial hydrogen production, strains involved, large-scale hydrogen production and its future prospects. While integrating the existing knowledge and technology, much future improvement and progress is to be done before hydrogen is accepted as a commercial primary energy source. PMID:16371161

  14. Supply options. [hydrogen market

    NASA Technical Reports Server (NTRS)

    1975-01-01

    The use of captive hydrogen (produced and consumed on site) and merchant hydrogen (externally supplied) is considered. A low-merchant-captive ratio market and a high-merchant-captive ratio market are described and compared.

  15. 77 FR 56525 - Special Conditions: Bombardier, Model CL-600-2B16 Airplane (CL-601-3A, CL-601-3R, and CL-604...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-09-13

    ... April 11, 2000 (65 FR 19477-19478), as well as at http://DocketsInfo.dot.gov/ . Docket: Background...) system modified to display forward-looking infrared (FLIR) imagery. The applicable airworthiness... electronic infrared image displayed between the pilot and the forward windshield represents a novel...

  16. 76 FR 41653 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2A12 (CL-601) and CL-600-2B16 (CL-601-3A...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-15

    ... products. That NPRM was published in the Federal Register on January 5, 2011 (76 FR 477). That NPRM...; 2. Is not a ``significant rule'' under the DOT Regulatory Policies and Procedures (44 FR 11034... Bulletin (SB) 601-0590 [Scheduled Maintenance Instructions (MSG-3) Derived-- Qualification] has...

  17. 75 FR 28471 - Airworthiness Directives; Bombardier, Inc. Model CL-600-1A11 (CL-600), CL-600-2A12 (CL-601), and...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-21

    ... in the Federal Register on February 25, 2010 (75 FR 8559), and proposed to supersede AD 2007-14-02, Amendment 39- 15124 (72 FR 38004, July 12, 2007). That NPRM proposed to correct an unsafe condition for the... not a ``significant rule'' under the DOT Regulatory Policies and Procedures (44 FR 11034, February...

  18. Hydrogen Technologies Safety Guide

    SciTech Connect

    Rivkin, C.; Burgess, R.; Buttner, W.

    2015-01-01

    The purpose of this guide is to provide basic background information on hydrogen technologies. It is intended to provide project developers, code officials, and other interested parties the background information to be able to put hydrogen safety in context. For example, code officials reviewing permit applications for hydrogen projects will get an understanding of the industrial history of hydrogen, basic safety concerns, and safety requirements.

  19. Solar hydrogen generator

    NASA Technical Reports Server (NTRS)

    Sebacher, D. I.; Sabol, A. P. (Inventor)

    1977-01-01

    An apparatus, using solar energy to manufacture hydrogen by dissociating water molecules into hydrogen and oxygen molecules is described. Solar energy is concentrated on a globe containing water thereby heating the water to its dissociation temperature. The globe is pervious to hydrogen molecules permitting them to pass through the globe while being essentially impervious to oxygen molecules. The hydrogen molecules are collected after passing through the globe and the oxygen molecules are removed from the globe.

  20. Silicon quantum dots embedded in amorphous SiC matrix for third-generation solar cells: Microstructure control by RF discharge power

    NASA Astrophysics Data System (ADS)

    Cheng, Qijin; Levchenko, Igor; Song, Denyuan; Xu, Shuyan; Ostrikov, Kostya Ken

    2015-04-01

    A low-frequency (460 kHz), low-pressure, thermally non-equilibrium, high-density inductively coupled plasma (ICP) has been used to synthesize a novel, advanced photovoltaic material suitable for fabrication of third-generation solar cells. Silicon quantum dots (SQDs) embedded in an amorphous silicon carbide matrix were prepared at a very low substrate temperature of approximately 200°C without any hydrogen dilution. The effect of the radio-frequency (RF) power of the plasma discharge on the morphology and structure of the embedded quantum dots was studied. A brief discussion on the possible mechanisms of the quantum dot formation in the ICP is presented. This study is relevant to third-generation photovoltaic solar cells.