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Sample records for oxygen vacancy hopping

  1. Oxygen vacancy doping of hematite analyzed by electrical conductivity and thermoelectric power measurements

    Science.gov (United States)

    Mock, Jan; Klingebiel, Benjamin; Köhler, Florian; Nuys, Maurice; Flohre, Jan; Muthmann, Stefan; Kirchartz, Thomas; Carius, Reinhard

    2017-11-01

    Hematite (α -F e2O3 ) is known for poor electronic transport properties, which are the main drawback of this material for optoelectronic applications. In this study, we investigate the concept of enhancing electrical conductivity by the introduction of oxygen vacancies during temperature treatment under low oxygen partial pressure. We demonstrate the possibility of tuning the conductivity continuously by more than five orders of magnitude during stepwise annealing in a moderate temperature range between 300 and 620 K. With thermoelectric power measurements, we are able to attribute the improvement of the electrical conductivity to an enhanced charge-carrier density by more than three orders of magnitude. We compare the oxygen vacancy doping of hematite thin films with hematite nanoparticle layers. Thereby we show that the dominant potential barrier that limits charge transport is either due to grain boundaries in hematite thin films or due to potential barriers that occur at the contact area between the nanoparticles, rather than the potential barrier within the small polaron hopping model, which is usually applied for hematite. Furthermore, we discuss the transition from oxygen-deficient hematite α -F e2O3 -x towards the magnetite F e3O4 phase of iron oxide at high density of vacancies.

  2. Evidence for oxygen vacancy or ferroelectric polarization induced switchable diode and photovoltaic effects in BiFeO3 based thin films

    International Nuclear Information System (INIS)

    Guo Yiping; Guo Bing; Dong Wen; Li Hua; Liu Hezhou

    2013-01-01

    The diode and photovoltaic effects of BiFeO 3 and Bi 0.9 Sr 0.1 FeO 3−δ polycrystalline thin films were investigated by poling the films with increased magnitude and alternating direction. It was found that both electromigration of oxygen vacancies and polarization flipping are able to induce switchable diode and photovoltaic effects. For the Bi 0.9 Sr 0.1 FeO 3−δ thin films with high oxygen vacancy concentration, reversibly switchable diode and photovoltaic effects can be observed due to the electromigration of oxygen vacancies under an electric field much lower than its coercive field. However, for the pure BiFeO 3 thin films with lower oxygen vacancy concentration, the reversibly switchable diode and photovoltaic effect is hard to detect until the occurrence of polarization flipping. The switchable diode and photovoltaic effects can be explained well using the concepts of Schottky-like barrier-to-Ohmic contacts resulting from the combination of oxygen vacancies and polarization. The sign of photocurrent could be independent of the direction of polarization when the modulation of the energy band induced by oxygen vacancies is large enough to offset that induced by polarization. The photovoltaic effect induced by the electromigration of oxygen vacancies is unstable due to the diffusion of oxygen vacancies or the recombination of oxygen vacancies with hopping electrons. Our work provides deep insights into the nature of diode and photovoltaic effects in ferroelectric films, and will facilitate the advanced design of switchable devices combining spintronic, electronic, and optical functionalities. (paper)

  3. Oxygen vacancy effects in HfO2-based resistive switching memory: First principle study

    Directory of Open Access Journals (Sweden)

    Yuehua Dai

    2016-08-01

    Full Text Available The work investigated the shape and orientation of oxygen vacancy clusters in HfO2-base resistive random access memory (ReRAM by using the first-principle method based on the density functional theory. Firstly, the formation energy of different local Vo clusters was calculated in four established orientation systems. Then, the optimized orientation and charger conductor shape were identified by comparing the isosurface plots of partial charge density, formation energy, and the highest isosurface value of oxygen vacancy. The calculated results revealed that the [010] orientation was the optimal migration path of Vo, and the shape of system D4 was the best charge conductor in HfO2, which effectively influenced the SET voltage, formation voltage and the ON/OFF ratio of the device. Afterwards, the PDOS of Hf near Vo and total density of states of the system D4_010 were obtained, revealing the composition of charge conductor was oxygen vacancy instead of metal Hf. Furthermore, the migration barriers of the Vo hopping between neighboring unit cells were calculated along four different orientations. The motion was proved along [010] orientation. The optimal circulation path for Vo migration in the HfO2 super-cell was obtained.

  4. Oxygen vacancy chain and conductive filament formation in hafnia

    Science.gov (United States)

    Xue, Kan-Hao; Miao, Xiang-Shui

    2018-04-01

    The stability and aggregation mechanisms of oxygen vacancy chains are studied for hafnia using self-energy corrected density functional theory. While oxygen vacancies tend not to align along the c-axis of monoclinic HfO2, oxygen vacancy chains along a-axis and b-axis are energetically favorable, with cohesive energies of 0.05 eV and 0.03 eV per vacancy, respectively. Nevertheless, with an increase of the cross section area, intensive oxygen vacancy chains become much more stable in hafnia, which yields phase separation into Hf-clusters and HfO2. Compared with disperse single vacancy chains, intensive oxygen vacancy chains made of 4, 6, and 8 single vacancy chains are energetically more favorable by 0.17, 0.20, and 0.30 eV per oxygen vacancy, respectively. On the other hand, while a single oxygen vacancy chain exhibits a tiny electronic energy gap of around 0.5 eV, metallic conduction emerges for the intensive vacancy chain made of 8 single vacancy chains, which possesses a filament cross section area of ˜0.4 nm2. This sets a lower area limit for Hf-cluster filaments from metallic conduction point of view, but in real hafnia resistive RAM devices the cross section area of the filaments can generally be much larger (>5 nm2) for the sake of energy minimization. Our work sets up a bridge between oxygen vacancy ordering and phase separation in hafnia, and shows a clear trend of filament stabilization with larger dimensions. The results could explain the threshold switching phenomenon in hafnia when a small AFM tip was used as the top electrode, as well as the undesired multimode operation in resistive RAM cells with 3 nm-thick hafnia.

  5. Controlled manipulation of oxygen vacancies using nanoscale flexoelectricity

    Energy Technology Data Exchange (ETDEWEB)

    Das, Saikat [Inst. for Basic Science (IBS), Seoul (Republic of Korea). Center for Correlated Electron Systems; Seoul National University (SNU), Seoul (Republic of Korea). Dept. of Physics and Astronomy; Wang, Bo [Pennsylvania State Univ., University Park, PA (United States).Dept. of Materials Science and Engineering; Cao, Ye [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Inst. for; Rae Cho, Myung [Inst. for Basic Science (IBS), Seoul (Republic of Korea). Center for Correlated Electron Systems; Seoul National University (SNU), Seoul (Republic of Korea). Dept. of Physics and Astronomy; Jae Shin, Yeong [Inst. for Basic Science (IBS), Seoul (Republic of Korea). Center for Correlated Electron Systems; Seoul National University (SNU), Seoul (Republic of Korea). Dept. of Physics and Astronomy; Mo Yang, Sang [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS); Sookmyung Women' s Univ., Seoul (Republic of Korea). Dept. of Physics; Wang, Lingfei [Inst. for Basic Science (IBS), Seoul (Republic of Korea). Center for Correlated Electron Systems; Seoul National University (SNU), Seoul (Republic of Korea). Dept. of Physics and Astronomy; Kim, Minu [Inst. for Basic Science (IBS), Seoul (Republic of Korea). Center for Correlated Electron Systems; Seoul National University (SNU), Seoul (Republic of Korea). Dept. of Physics and Astronomy; Kalinin, Sergei V. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Inst. for Functional Imaging of Materials; Chen, Long-Qing [Pennsylvania State Univ., University Park, PA (United States).Dept. of Materials Science and Engineering; Noh, Tae Won [Inst. for Basic Science (IBS), Seoul (Republic of Korea). Center for Correlated Electron Systems; Seoul National University (SNU), Seoul (Republic of Korea). Dept. of Physics and Astronomy

    2017-09-20

    Oxygen vacancies, especially their distribution, are directly coupled to the electromagnetic properties of oxides and related emergent functionalities that have implications for device applications. Here using a homoepitaxial strontium titanate thin film, we demonstrate a controlled manipulation of the oxygen vacancy distribution using the mechanical force from a scanning probe microscope tip. By combining Kelvin probe force microscopy imaging and phase-field simulations, we show that oxygen vacancies can move under a stress-gradient-induced depolarisation field. When tailored, this nanoscale flexoelectric effect enables a controlled spatial modulation. In motion, the scanning probe tip thereby deterministically reconfigures the spatial distribution of vacancies. Finally, the ability to locally manipulate oxygen vacancies on-demand provides a tool for the exploration of mesoscale quantum phenomena and engineering multifunctional oxide devices.

  6. Tracking Oxygen Vacancies in Thin Film SOFC Cathodes

    Science.gov (United States)

    Leonard, Donovan; Kumar, Amit; Jesse, Stephen; Kalinin, Sergei; Shao-Horn, Yang; Crumlin, Ethan; Mutoro, Eva; Biegalski, Michael; Christen, Hans; Pennycook, Stephen; Borisevich, Albina

    2011-03-01

    Oxygen vacancies have been proposed to control the rate of the oxygen reduction reaction and ionic transport in complex oxides used as solid oxide fuel cell (SOFC) cathodes [1,2]. In this study oxygen vacancies were tracked, both dynamically and statically, with the combined use of scanned probe microscopy (SPM) and scanning transmission electron microscopy (STEM). Epitaxial films of La 0.8 Sr 0.2 Co O3 (L SC113) and L SC113 / LaSrCo O4 (L SC214) on a GDC/YSZ substrate were studied, where the latter showed increased electrocatalytic activity at moderate temperature. At atomic resolution, high angle annular dark field STEM micrographs revealed vacancy ordering in L SC113 as evidenced by lattice parameter modulation and EELS studies. The evolution of oxygen vacancy concentration and ordering with applied bias and the effects of bias cycling on the SOFC cathode performance will be discussed. Research is sponsored by the of Materials Sciences and Engineering Division, U.S. DOE.

  7. Molecular dynamics simulations of ferroelectric domain formation by oxygen vacancy

    Science.gov (United States)

    Zhu, Lin; You, Jeong Ho; Chen, Jinghong; Yeo, Changdong

    2018-05-01

    An oxygen vacancy, known to be detrimental to ferroelectric properties, has been investigated numerically for the potential uses to control ferroelectric domains in films using molecular dynamics simulations based on the first-principles effective Hamiltonian. As an electron donor, an oxygen vacancy generates inhomogeneous electrostatic and displacement fields which impose preferred polarization directions near the oxygen vacancy. When the oxygen vacancies are placed at the top and bottom interfaces, the out-of-plane polarizations are locally developed near the interfaces in the directions away from the interfaces. These polarizations from the interfaces are in opposite directions so that the overall out-of-plane polarization becomes significantly reduced. In the middle of the films, the in-plane domains are formed with containing 90° a 1/a 2 domain walls and the films are polarized along the [1 1 0] direction even when no electric field is applied. With oxygen vacancies placed at the top interface only, the films exhibit asymmetric hysteresis loops, confirming that the oxygen vacancies are one of the possible sources of ferroelectric imprint. It has been qualitatively demonstrated that the domain structures in the imprint films can be turned on and off by controlling an external field along the thickness direction. This study shows qualitatively that the oxygen vacancies can be utilized for tuning ferroelectric domain structures in films.

  8. Formation and Migration of Oxygen Vacancies in SrCoO3 and their effect on Oxygen Evolution Reactions

    KAUST Repository

    Tahini, Hassan A.; Tan, Xin; Schwingenschlö gl, Udo; Smith, Sean C.

    2016-01-01

    Perovskite SrCoO3 is a potentially useful material for promoting the electrocatalytic oxygen evolution reaction, with high activities predicted theoretically and observed experimentally for closely related doped perovskite materials. However, complete stoichiometric oxidation is very difficult to realize experimentally – in almost all cases there are significant fractions of oxygen vacancies present. Here, using first principles calculations we study oxygen vacancies in perovskite SrCoO3 from thermodynamic, electronic and kinetic points of view. We find that an oxygen vacancy donates two electrons to neighboring Co sites in the form of localized charge. The formation energy of a single vacancy is very low and estimated to be 1.26 eV in the dilute limit. We find that a vacancy is quite mobile with a migration energy of ~0.5 eV. Moreover, we predict that oxygen vacancies exhibit a tendency towards clustering which is in accordance with the material’s ability to form a variety of oxygen-deficient structures. These vacancies have a profound effect on the material’s ability to facilitate OER, increasing the overpotential from ~0.3 V for the perfect material to ~0.7 for defective surfaces. A moderate compressive biaxial strain (2%) is predicted here to increase the surface oxygen vacancy formation energy by ca. 30%, thus reducing the concentration of surface vacancies and thereby preserving the OER activity of the material.

  9. Formation and Migration of Oxygen Vacancies in SrCoO3 and their effect on Oxygen Evolution Reactions

    KAUST Repository

    Tahini, Hassan A.

    2016-07-18

    Perovskite SrCoO3 is a potentially useful material for promoting the electrocatalytic oxygen evolution reaction, with high activities predicted theoretically and observed experimentally for closely related doped perovskite materials. However, complete stoichiometric oxidation is very difficult to realize experimentally – in almost all cases there are significant fractions of oxygen vacancies present. Here, using first principles calculations we study oxygen vacancies in perovskite SrCoO3 from thermodynamic, electronic and kinetic points of view. We find that an oxygen vacancy donates two electrons to neighboring Co sites in the form of localized charge. The formation energy of a single vacancy is very low and estimated to be 1.26 eV in the dilute limit. We find that a vacancy is quite mobile with a migration energy of ~0.5 eV. Moreover, we predict that oxygen vacancies exhibit a tendency towards clustering which is in accordance with the material’s ability to form a variety of oxygen-deficient structures. These vacancies have a profound effect on the material’s ability to facilitate OER, increasing the overpotential from ~0.3 V for the perfect material to ~0.7 for defective surfaces. A moderate compressive biaxial strain (2%) is predicted here to increase the surface oxygen vacancy formation energy by ca. 30%, thus reducing the concentration of surface vacancies and thereby preserving the OER activity of the material.

  10. Localized versus itinerant states created by multiple oxygen vacancies in SrTiO3

    Science.gov (United States)

    Jeschke, Harald O.; Shen, Juan; Valentí, Roser

    2015-02-01

    Oxygen vacancies in strontium titanate surfaces (SrTiO3) have been linked to the presence of a two-dimensional electron gas with unique behavior. We perform a detailed density functional theory study of the lattice and electronic structure of SrTiO3 slabs with multiple oxygen vacancies, with a main focus on two vacancies near a titanium dioxide terminated SrTiO3 surface. We conclude based on total energies that the two vacancies preferably inhabit the first two layers, i.e. they cluster vertically, while in the direction parallel to the surface, the vacancies show a weak tendency towards equal spacing. Analysis of the nonmagnetic electronic structure indicates that oxygen defects in the surface TiO2 layer lead to population of Ti {{t}2g} states and thus itinerancy of the electrons donated by the oxygen vacancy. In contrast, electrons from subsurface oxygen vacancies populate Ti eg states and remain localized on the two Ti ions neighboring the vacancy. We find that both the formation of a bound oxygen-vacancy state composed of hybridized Ti 3eg and 4p states neighboring the oxygen vacancy as well as the elastic deformation after extracting oxygen contribute to the stabilization of the in-gap state.

  11. Molecular dynamics simulations of oxygen vacancy diffusion in SrTiO3

    International Nuclear Information System (INIS)

    Schie, Marcel; Marchewka, Astrid; Waser, Rainer; Müller, Thomas; De Souza, Roger A

    2012-01-01

    A classical force-field model with partial ionic charges was applied to study the behaviour of oxygen vacancies in the perovskite oxide strontium titanate (SrTiO 3 ). The dynamical behaviour of these point defects was investigated as a function of temperature and defect concentration by means of molecular dynamics (MD) simulations. The interaction between oxygen vacancies and an extended defect, here a Σ3(111) grain boundary, was also examined by means of MD simulations. Analysis of the vacancy distribution revealed considerable accumulation of vacancies in the envelope of the grain boundary. The possible clustering of oxygen vacancies in bulk SrTiO 3 was studied by means of static lattice calculations within the Mott-Littleton approach. All binary vacancy-vacancy configurations were found to be energetically unfavourable.

  12. Molecular dynamics simulations of oxygen vacancy diffusion in SrTiO3.

    Science.gov (United States)

    Schie, Marcel; Marchewka, Astrid; Müller, Thomas; De Souza, Roger A; Waser, Rainer

    2012-12-05

    A classical force-field model with partial ionic charges was applied to study the behaviour of oxygen vacancies in the perovskite oxide strontium titanate (SrTiO(3)). The dynamical behaviour of these point defects was investigated as a function of temperature and defect concentration by means of molecular dynamics (MD) simulations. The interaction between oxygen vacancies and an extended defect, here a Σ3(111) grain boundary, was also examined by means of MD simulations. Analysis of the vacancy distribution revealed considerable accumulation of vacancies in the envelope of the grain boundary. The possible clustering of oxygen vacancies in bulk SrTiO(3) was studied by means of static lattice calculations within the Mott-Littleton approach. All binary vacancy-vacancy configurations were found to be energetically unfavourable.

  13. Role of oxygen vacancies in anodic TiO2 thin films

    International Nuclear Information System (INIS)

    Tit, N.; Halley, J.W.

    1992-05-01

    Defects play an important role in the electronic and optical properties of amorphous solids in general. Here we present both experimental and theoretical investigations on the nature and origin of defect states in anodic rutile TiO 2 thin films (of thickness 5nm to 20nm). There is experimental evidence that the observed gap state at 0.7eV below the edge of conduction-band is due to an oxygen vacancy. For this reason, oxygen vacancies are used in our model. A comparison of the calculated bulk-photoconductivity to photospectroscopy experiment reveals that the films have bulk-like transport properties. On the other hand a fit of the surface density of states to the scanning tunneling microscopy (STM) on the (001) surfaces has suggested a surface defect density of 5% of oxygen vacancies. To resolve this discrepancy, we calculated the dc-conductivity where localization effects are included. Our results show an impurity band formation at about p c =9% of oxygen vacancies. We concluded that the gap states seen in STM are localized and the oxygen vacancies are playing the role of trapping centers (deep levels) in the studied films. (author). 15 refs, 5 figs

  14. Oxygen vacancies dependent phase transition of Y{sub 2}O{sub 3} films

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Pengfei; Zhang, Kan [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun 130012 (China); Huang, Hao [Titanium Alloys Lab. Beijing Institute of Aeronautical Materials, Beijing 81-15 100095 (China); Wen, Mao, E-mail: Wenmao225@jlu.edu.cn [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun 130012 (China); Li, Quan; Zhang, Wei; Hu, Chaoquan [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun 130012 (China); Zheng, Weitao, E-mail: WTZheng@jlu.edu.cn [Department of Materials Science, State Key Laboratory of Automotive Simulation and Control and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun 130012 (China)

    2017-07-15

    Highlights: • Oxygen vacancies for Y{sub 2}O{sub 3} films increase monotonously with increasing T{sub s}. • Oxygen vacancies can promote the nucleation of monoclinic phase. • That monoclinic phase with oxygen deficiency is not thermodynamic stable at high temperature. • Phase transition from monoclinic to oxygen defective occurs at high concentrations of oxygen vacancies. • High hardness just appears in Y{sub 2}O{sub 3} films with mixed phase configurations. - Abstract: Y{sub 2}O{sub 3} films have great application potential in high-temperature metal matrix composite and nuclear engineering, used as interface diffusion and reaction barrier coating owing to their excellent thermal and chemical stability, high melting point and extremely negative Gibbs formation energy, and thus their structural and mechanical properties at elevated temperature are especially important. Oxygen vacancies exist commonly in yttrium oxide (Y{sub 2}O{sub 3}) thin films and act strongly on the phase structure and properties, but oxygen vacancies dependent phase transition at elevated temperature has not been well explored yet. Y{sub 2}O{sub 3} thin films with different oxygen vacancy concentrations have been achieved by reactive sputtering through varying substrate temperature (T{sub s}), in which oxygen vacancies increase monotonously with increasing T{sub s}. For as-deposited Y{sub 2}O{sub 3} films, oxygen vacancies present at high T{sub s} can promote the nucleation of monoclinic phase, meanwhile, high T{sub s} can induce the instability of monoclinic phase. Thus their competition results in forming mixed phases of cubic and monoclinic at high T{sub s}. During vacuum annealing at 1000 °C, a critical oxygen vacancy concentration is observed, below which phase transition from monoclinic to cubic takes place, and above which phase transfer from monoclinic to the oxygen defective phase (ICDD file no. 39-1063), accompanying by stress reversal from compressive to tensile and

  15. Interaction of oxygen vacancies in yttrium germanates

    KAUST Repository

    Wang, Hao

    2012-01-01

    Forming a good Ge/dielectric interface is important to improve the electron mobility of a Ge metal oxide semiconductor field-effect transistor. A thin yttrium germanate capping layer can improve the properties of the Ge/GeO 2 system. We employ electronic structure calculations to investigate the effect of oxygen vacancies in yttrium-doped GeO 2 and the yttrium germanates Y 2Ge 2O 7 and Y 2GeO 5. The calculated densities of states indicate that dangling bonds from oxygen vacancies introduce in-gap states, but the system remains insulating. However, yttrium-doped GeO 2 becomes metallic under oxygen deficiency. Y-doped GeO 2, Y 2Ge 2O 7 and Y 2GeO 5 are calculated to be oxygen substoichiometric under low Fermi energy conditions. The use of yttrium germanates is proposed as a way to effectively passivate the Ge/dielectric interface. This journal is © 2012 the Owner Societies.

  16. Correlated lifetimes of free paraexcitons and excitons trapped at oxygen vacancies in cuprous oxide

    International Nuclear Information System (INIS)

    Koirala, Sandhaya; Naka, Nobuko; Tanaka, Koichiro

    2013-01-01

    We have studied transients of luminescence due to free excitons and excitons trapped at oxygen vacancies in cuprous oxide. We find that both trapped and free paraexcitons have lifetime dependent on temperature and on the oxygen concentration. By using samples containing much less copper vacancies relative to oxygen vacancies, we find out the direct correlation between the free paraexciton lifetime and trapped exciton lifetime. - Highlights: ► We have investigated trapping of free excitons at oxygen vacancies in cuprous oxide. ► Lifetimes of free and trapped excitons exhibit correlative temperature dependence. ► Four-level model with the activation energy of 33 meV well explains the observation. ► Comparison is made using the four samples with different vacancy concentrations. ► We clarified the crucial role of the oxygen vacancy in shortening the lifetimes.

  17. Spin-dependent recombination involving oxygen-vacancy complexes in silicon

    OpenAIRE

    Franke, David P.; Hoehne, Felix; Vlasenko, Leonid S.; Itoh, Kohei M.; Brandt, Martin S.

    2014-01-01

    Spin-dependent relaxation and recombination processes in $\\gamma$-irradiated $n$-type Czochralski-grown silicon are studied using continuous wave (cw) and pulsed electrically detected magnetic resonance (EDMR). Two processes involving the SL1 center, the neutral excited triplet state of the oxygen-vacancy complex, are observed which can be separated by their different dynamics. One of the processes is the relaxation of the excited SL1 state to the ground state of the oxygen-vacancy complex, t...

  18. Origin and enhancement of spin polarized current in diluted magnetic oxides by oxygen vacancies

    Energy Technology Data Exchange (ETDEWEB)

    Chou, Hsiung, E-mail: hchou@mail.nsysu.edu.tw; Yang, Kung-Shang; Tsao, Yao-Chung; Dwivedi, G. D.; Lin, Cheng-Pang [Department of Physics, National Sun Yat-Sen University, 70, Lienhai Road, Gushan District, Kaohsiung 804, Taiwan (China); Sun, Shih-Jye [Department of Applied Physics, National Kaohsiung University, 700, Gaoxiongdaxue Rd., Nanzi District, Kaohsiung 811, Taiwan (China); Lin, L. K.; Lee, S. F. [Institute of Physics, Academia Sinica, 128 Academia Road, Section 2, Nankang, Taipei 115, Taiwan (China)

    2016-04-04

    Spin polarized current (SPC) is a crucial characteristic of diluted magnetic oxides due to the potential application of oxides in spintronic devices. However, most research has been focused on ferromagnetic properties rather than polarization of electric current, because direct measurements are difficult and the origin of SPC has yet to be fully understood. The method to increase the SPC percentage is beyond practical consideration at present. To address this problem, we focus on the role of oxygen vacancies (V{sub O}) on SPC, which are controlled by growing the Co-doped ZnO thin-films at room temperature in a reducing atmosphere [Ar + (1%–30%)H{sub 2}]. We found that the conductivity increases with an increase of V{sub O} via two independent channels: the variable range hopping (VRH) within localized states and the itinerant transport in the conduction band. The point contact Andreev reflection measurements at 4.2 K, where the electric conduction is governed only by the VRH mechanism, prove that the current flowing in the VRH hopping channel is SPC. The percentage of SPC increases with the introduction of V{sub O} and increase in its concentration. The transport measurement shows that by manipulating V{sub O}, one can control the percentage of VRH hopping conduction such that it can even dominate room temperature conduction. The highest achieved SPC ratio at room temperature was 80%.

  19. The interaction of impurity oxygen in silicon with vacancies

    International Nuclear Information System (INIS)

    Aslanyan, A.A.; Babayan, S.A.; Eritsyan, G.N.; Kholodar, G.A.; Melkonyan, R.A.; Vinetskij, V.L.

    1981-01-01

    Silicon specimens irradiated with 50 MeV electrons, containing along with isolated oxygen atoms more complicated oxy-quasi-molecules of SiOsub(n) (n=1,2,3,...) type are investigated. At isochronal and isothermal annealing in the temperature range 300-350 deg C, besides the reaction of vacancy capturing by oxygen atoms with formation of A-centres, there occur more complicated reactions with participation of vacancies, A-centres, oxygen containing quasi-molecules, and a variety of sinks. The kinetics of the processing taking place at irradiation and annealing was studied with respect to the measurement of IR absorption spectra in the region 1-16 μm. A model is suggested to describe the observed processes that differ qualitatively from those taking place in specimens containing completely dissociated oxygen [ru

  20. Oxygen vacancies in oxides studied by annihilation of mono-energetic positrons

    Energy Technology Data Exchange (ETDEWEB)

    Hugenschmidt, Christoph; Pikart, Philip [ZWE FRM II, Technische Universitaet Muenchen, Lichtenbergstrasse 1, 85747 Garching (Germany); Physik-Department E21, Technische Universitaet Muenchen, James-Franck-Strasse, 85748 Garching (Germany); Schreckenbach, Klaus [Physik-Department E21, Technische Universitaet Muenchen, James-Franck-Strasse, 85748 Garching (Germany)

    2009-07-01

    Oxygen vacancies play a fundamental role for the material properties of various oxides, e.g. charge carrier density in high-Tc superconductors, magnetic properties of diluted magnetic semiconductors or paramagnetic properties of SiO{sub 2}. In this study, open volume defects in (metal) oxides are investigated by Doppler-broadening spectroscopy (DBS) of the positron annihilation. More detailed information about the chemical surrounding at the positron annihilation site is gained by additional coincident DBS experiments, where a signature of positrons annihilating with electrons from oxygen is observed. The mono-energetic positron beam at NEPOMUC was used which allows depth dependent measurements, and hence the investigation of thin oxide layers. Recent results for metallic oxides such as ZnO are presented and compared with various non-metallic oxides such as amorphous and crystalline SiO{sub 2}, oxygen terminated Si-surface, and ice. The role of neutral and charged oxygen vacancies and the application of the positron annihilation technique to study oxygen vacancies will be discussed.

  1. Oxygen Vacancy-Mediated ZnO Nanoparticle Photocatalyst for Degradation of Methylene Blue

    Directory of Open Access Journals (Sweden)

    Qiuping Zhang

    2018-02-01

    Full Text Available ZnO nanoparticles (NPs are synthesized by deoxidizing ZnO powder in a vacuum drying process. This process reduces the size of the NPs and increases the concentration of oxygen vacancies on their surfaces. ZnO NPs with sufficient oxygen vacancies are highly effective for the photodecomposition of methylene blue (MB dye in water under ultraviolet irradiation. The MB degradation efficiency exceeds 99 percent after 50 min of light irradiation, and the catalytic property of the NPs remains stable over several complete degradation cycles. It is revealed that the concentration of oxygen vacancies on the surface, and the photocatalytic activity, are both higher for smaller NPs. Oxygen vacancies reduce the recombination rate of photo-generated charge carriers by capturing the electrons and hence, improve the efficiency of redox reactions. In addition, a smaller particle size leads to a larger specific surface area and a higher photonic efficiency for the ZnO NPs.

  2. Enhanced Photocatalytic Activity of Vacuum-activated TiO2 Induced by Oxygen Vacancies.

    Science.gov (United States)

    Dong, Guoyan; Wang, Xin; Chen, Zhiwu; Lu, Zhenya

    2018-05-01

    TiO 2 (Degussa P25) photocatalysts harboring abundant oxygen vacancies (Vacuum P25) were manufactured using a simple and economic Vacuum deoxidation process. Control experiments showed that temperature and time of vacuum deoxidation had a significant effect on Vacuum P25 photocatalytic activity. After 240 min of visible light illumination, the optimal Vacuum P25 photocatalysts (vacuum deoxidation treated at 330 °C for 3 h) reach as high as 94% and 88% of photodegradation efficiency for rhodamine B (RhB) and tetracycline, respectively, which are around 4.5 and 4.9 times as that of pristine P25. The XPS, PL and EPR analyses indicated that the oxygen vacancies were produced in the Vacuum P25 during the vacuum deoxidation process. The oxygen vacancy states can produce vacancy energy level located below the conduction band minimum, which resulting in the bandgap narrowing, thus extending the photoresponse wavelength range of Vacuum P25. The positron annihilation analysis indicated that the concentrations ratio of bulk and surface oxygen vacancies could be adjusted by changing the vacuum deoxidation temperature and time. Decreasing the ratio of bulk and surface oxygen vacancies was shown to improve photogenerated electron-hole pair separation efficiency, which leads to an obvious enhancement of the visible photocatalytic activities of Vacuum P25. © 2017 The American Society of Photobiology.

  3. Unraveling the oxygen vacancy structures at the reduced Ce O2(111 ) surface

    Science.gov (United States)

    Han, Zhong-Kang; Yang, Yi-Zhou; Zhu, Beien; Ganduglia-Pirovano, M. Verónica; Gao, Yi

    2018-03-01

    Oxygen vacancies at ceria (Ce O2 ) surfaces play an essential role in catalytic applications. However, during the past decade, the near-surface vacancy structures at Ce O2(111 ) have been questioned due to the contradictory results from experiments and theoretical simulations. Whether surface vacancies agglomerate, and which is the most stable vacancy structure for varying vacancy concentration and temperature, are being heatedly debated. By combining density functional theory calculations and Monte Carlo simulations, we proposed a unified model to explain all conflicting experimental observations and theoretical results. We find a novel trimeric vacancy structure which is more stable than any other one previously reported, which perfectly reproduces the characteristics of the double linear surface oxygen vacancy clusters observed by STM. Monte Carlo simulations show that at low temperature and low vacancy concentrations, vacancies prefer subsurface sites with a local (2 × 2) ordering, whereas mostly linear surface vacancy clusters do form with increased temperature and degree of reduction. These results well explain the disputes about the stable vacancy structure and surface vacancy clustering at Ce O2(111 ) , and provide a foundation for the understanding of the redox and catalytic chemistry of metal oxides.

  4. Inhomogeneous Oxygen Vacancy Distribution in Semiconductor Gas Sensors: Formation, Migration and Determination on Gas Sensing Characteristics.

    Science.gov (United States)

    Liu, Jianqiao; Gao, Yinglin; Wu, Xu; Jin, Guohua; Zhai, Zhaoxia; Liu, Huan

    2017-08-10

    The density of oxygen vacancies in semiconductor gas sensors was often assumed to be identical throughout the grain in the numerical discussion of the gas-sensing mechanism of the devices. In contrast, the actual devices had grains with inhomogeneous distribution of oxygen vacancy under non-ideal conditions. This conflict between reality and discussion drove us to study the formation and migration of the oxygen defects in semiconductor grains. A model of the gradient-distributed oxygen vacancy was proposed based on the effects of cooling rate and re-annealing on semiconductive thin films. The model established the diffusion equations of oxygen vacancy according to the defect kinetics of diffusion and exclusion. We described that the steady-state and transient-state oxygen vacancy distributions, which were used to calculate the gas-sensing characteristics of the sensor resistance and response to reducing gases under two different conditions. The gradient-distributed oxygen vacancy model had the applications in simulating the sensor performances, such as the power law, the grain size effect and the effect of depletion layer width.

  5. Inhomogeneous Oxygen Vacancy Distribution in Semiconductor Gas Sensors: Formation, Migration and Determination on Gas Sensing Characteristics

    Directory of Open Access Journals (Sweden)

    Jianqiao Liu

    2017-08-01

    Full Text Available The density of oxygen vacancies in semiconductor gas sensors was often assumed to be identical throughout the grain in the numerical discussion of the gas-sensing mechanism of the devices. In contrast, the actual devices had grains with inhomogeneous distribution of oxygen vacancy under non-ideal conditions. This conflict between reality and discussion drove us to study the formation and migration of the oxygen defects in semiconductor grains. A model of the gradient-distributed oxygen vacancy was proposed based on the effects of cooling rate and re-annealing on semiconductive thin films. The model established the diffusion equations of oxygen vacancy according to the defect kinetics of diffusion and exclusion. We described that the steady-state and transient-state oxygen vacancy distributions, which were used to calculate the gas-sensing characteristics of the sensor resistance and response to reducing gases under two different conditions. The gradient-distributed oxygen vacancy model had the applications in simulating the sensor performances, such as the power law, the grain size effect and the effect of depletion layer width.

  6. Understanding Oxygen Vacancy Formation, Interaction, Transport, and Strain in SOFC Components via Combined Thermodynamics and First Principles Calculations

    Science.gov (United States)

    Das, Tridip

    Understanding of the vacancy formation, interaction, increasing its concentration and diffusion, and controlling its chemical strain will advance the design of mixed ionic and electronic conductor (MIEC) materials via element doping and strain engineering. This is especially central to improve the performance of the solid oxide fuel cell (SOFC), an energy conversion device for sustainable future. The oxygen vacancy concentration grows exponentially with the temperature at dilute vacancy concentration but not at higher concentration, or even decreases due to oxygen vacancy interaction and vacancy ordered phase change. This limits the ionic conductivity. Using density functional theory (DFT), we provided fundamental understanding on how oxygen vacancy interaction originates in one of the typical MIEC, La1-xSrxFeO3-delta (LSF). The vacancy interaction is determined by the interplay of the charge state of multi-valence ion (Fe), aliovalent doping (La/Sr ratio), the crystal structure, and the oxygen vacancy concentration and/or nonstoichiometry (delta). It was found excess electrons left due to the formation of a neutral oxygen vacancy get distributed to Fe directly connected to the vacancy or to the second nearest neighboring Fe, based on crystal field splitting of Fe 3d orbital in different Fe-O polyhedral coordination. The progressively larger polaron size and anisotropic shape changes with increasing Sr-content resulted in increasing oxygen vacancy interactions, as indicated by an increase in the oxygen vacancy formation energy above a critical delta threshold. This was consistent with experimental results showing that Sr-rich LSF and highly oxygen deficient compositions are prone to oxygen-vacancy-ordering-induced phase transformations, while Sr-poor and oxygen-rich LSF compositions are not. Since oxygen vacancy induced phase transformations, cause a decrease in the mobile oxygen vacancy site fraction (X), both delta and X were predicted as a function of

  7. The Effect of Acceptor and Donor Doping on Oxygen Vacancy Concentrations in Lead Zirconate Titanate (PZT).

    Science.gov (United States)

    Slouka, Christoph; Kainz, Theresa; Navickas, Edvinas; Walch, Gregor; Hutter, Herbert; Reichmann, Klaus; Fleig, Jürgen

    2016-11-22

    The different properties of acceptor-doped (hard) and donor-doped (soft) lead zirconate titanate (PZT) ceramics are often attributed to different amounts of oxygen vacancies introduced by the dopant. Acceptor doping is believed to cause high oxygen vacancy concentrations, while donors are expected to strongly suppress their amount. In this study, La 3+ donor-doped, Fe 3+ acceptor-doped and La 3+ /Fe 3+ -co-doped PZT samples were investigated by oxygen tracer exchange and electrochemical impedance spectroscopy in order to analyse the effect of doping on oxygen vacancy concentrations. Relative changes in the tracer diffusion coefficients for different doping and quantitative relations between defect concentrations allowed estimates of oxygen vacancy concentrations. Donor doping does not completely suppress the formation of oxygen vacancies; rather, it concentrates them in the grain boundary region. Acceptor doping enhances the amount of oxygen vacancies but estimates suggest that bulk concentrations are still in the ppm range, even for 1% acceptor doping. Trapped holes might thus considerably contribute to the charge balancing of the acceptor dopants. This could also be of relevance in understanding the properties of hard and soft PZT.

  8. The Effect of Acceptor and Donor Doping on Oxygen Vacancy Concentrations in Lead Zirconate Titanate (PZT

    Directory of Open Access Journals (Sweden)

    Christoph Slouka

    2016-11-01

    Full Text Available The different properties of acceptor-doped (hard and donor-doped (soft lead zirconate titanate (PZT ceramics are often attributed to different amounts of oxygen vacancies introduced by the dopant. Acceptor doping is believed to cause high oxygen vacancy concentrations, while donors are expected to strongly suppress their amount. In this study, La3+ donor-doped, Fe3+ acceptor-doped and La3+/Fe3+-co-doped PZT samples were investigated by oxygen tracer exchange and electrochemical impedance spectroscopy in order to analyse the effect of doping on oxygen vacancy concentrations. Relative changes in the tracer diffusion coefficients for different doping and quantitative relations between defect concentrations allowed estimates of oxygen vacancy concentrations. Donor doping does not completely suppress the formation of oxygen vacancies; rather, it concentrates them in the grain boundary region. Acceptor doping enhances the amount of oxygen vacancies but estimates suggest that bulk concentrations are still in the ppm range, even for 1% acceptor doping. Trapped holes might thus considerably contribute to the charge balancing of the acceptor dopants. This could also be of relevance in understanding the properties of hard and soft PZT.

  9. Significant room-temperature ferromagnetism in porous ZnO films: The role of oxygen vacancies

    Energy Technology Data Exchange (ETDEWEB)

    Hou, Xue; Liu, Huiyuan [College of Physics Science & Information Engineering, Hebei Normal University, Shijiazhuang 050024 (China); Key Laboratory of Advanced Films of Hebei Province, Shijiazhuang 050024 (China); Sun, Huiyuan, E-mail: huiyuansun@126.com [College of Physics Science & Information Engineering, Hebei Normal University, Shijiazhuang 050024 (China); Key Laboratory of Advanced Films of Hebei Province, Shijiazhuang 050024 (China); Liu, Lihu; Jia, Xiaoxuan [College of Physics Science & Information Engineering, Hebei Normal University, Shijiazhuang 050024 (China); Key Laboratory of Advanced Films of Hebei Province, Shijiazhuang 050024 (China)

    2015-10-15

    Graphical abstract: - Highlights: • Porous ZnO films were deposited on porous anodic alumina substrates. • Significant ferromagnetism (FM) has been observed in porous ZnO films (110 emu/cm{sup 3}). • The strong magnetic anisotropy was observed in the porous ZnO films. • The origin of FM is attributed to the oxygen vacancy with a local magnetic moment. - Abstract: Pure porous ZnO films were prepared by direct current reactive magnetron sputtering on porous anodic alumina substrates. Remarkably large room-temperature ferromagnetism was observed in the films. The highest saturation moment along the out-of-plane direction was about 110 emu/cm{sup 3}. Experimental and theoretical results suggested that the oxygen vacancies and the unique porous structure of the films are responsible for the large ferromagnetism. There are two modes of coupling between oxygen vacancies in the porous ZnO films: (i) exchange interactions directly between the oxygen vacancies and (ii) with the mediation of conduction electrons. In addition, it was found that the magnetic moment of ZnO films can be changed by tuning the concentration of oxygen vacancies. These observations may be useful in the development of ZnO-based spintronics devices.

  10. Anisotropic chemical strain in cubic ceria due to oxygen-vacancy-induced elastic dipoles.

    Science.gov (United States)

    Das, Tridip; Nicholas, Jason D; Sheldon, Brian W; Qi, Yue

    2018-06-06

    Accurate characterization of chemical strain is required to study a broad range of chemical-mechanical coupling phenomena. One of the most studied mechano-chemically active oxides, nonstoichiometric ceria (CeO2-δ), has only been described by a scalar chemical strain assuming isotropic deformation. However, combined density functional theory (DFT) calculations and elastic dipole tensor theory reveal that both the short-range bond distortions surrounding an oxygen-vacancy and the long-range chemical strain are anisotropic in cubic CeO2-δ. The origin of this anisotropy is the charge disproportionation between the four cerium atoms around each oxygen-vacancy (two become Ce3+ and two become Ce4+) when a neutral oxygen-vacancy is formed. Around the oxygen-vacancy, six of the Ce3+-O bonds elongate, one of the Ce3+-O bond shorten, and all seven of the Ce4+-O bonds shorten. Further, the average and maximum chemical strain values obtained through tensor analysis successfully bound the various experimental data. Lastly, the anisotropic, oxygen-vacancy-elastic-dipole induced chemical strain is polarizable, which provides a physical model for the giant electrostriction recently discovered in doped and non-doped CeO2-δ. Together, this work highlights the need to consider anisotropic tensors when calculating the chemical strain induced by dilute point defects in all materials, regardless of their symmetry.

  11. A Unifying Perspective on Oxygen Vacancies in Wide Band Gap Oxides.

    Science.gov (United States)

    Linderälv, Christopher; Lindman, Anders; Erhart, Paul

    2018-01-04

    Wide band gap oxides are versatile materials with numerous applications in research and technology. Many properties of these materials are intimately related to defects, with the most important defect being the oxygen vacancy. Here, using electronic structure calculations, we show that the charge transition level (CTL) and eigenstates associated with oxygen vacancies, which to a large extent determine their electronic properties, are confined to a rather narrow energy range, even while band gap and the electronic structure of the conduction band vary substantially. Vacancies are classified according to their character (deep versus shallow), which shows that the alignment of electronic eigenenergies and CTL can be understood in terms of the transition between cavity-like localized levels in the large band gap limit and strong coupling between conduction band and vacancy states for small to medium band gaps. We consider both conventional and hybrid functionals and demonstrate that the former yields results in very good agreement with the latter provided that band edge alignment is taken into account.

  12. Simulation of the Atomic and Electronic Structure of Oxygen Vacancies and Polyvacancies in ZrO2

    Science.gov (United States)

    Perevalov, T. V.

    2018-03-01

    Cubic, tetragonal, and monoclinic phases of zirconium oxide with oxygen vacancies and polyvacancies are studied by quantum chemical modeling of the atomic and electronic structure. It is demonstrated that an oxygen vacancy in ZrO2 may act as both an electron trap and a hole one. An electron added to the ZrO2 structure with an oxygen vacancy is distributed between two neighboring Zr atoms and is a bonding orbital by nature. It is advantageous for each subsequent O vacancy to form close to the already existing ones; notably, one Zr atom has no more than two removed O atoms related to it. Defect levels from oxygen polyvacancies are distributed in the bandgap with preferential localization in the vicinity of the oxygen monovacancy level.

  13. Interaction of light with the ZnO surface: Photon induced oxygen “breathing,” oxygen vacancies, persistent photoconductivity, and persistent photovoltage

    International Nuclear Information System (INIS)

    Gurwitz, Ron; Cohen, Rotem; Shalish, Ilan

    2014-01-01

    ZnO surfaces adsorb oxygen in the dark and emit CO 2 when exposed to white light, reminiscent of the lungs of living creatures. We find that this exchange of oxygen with the ambient affects the integrity of the ZnO surface. Thus, it forms a basis for several interesting surface phenomena in ZnO, such as photoconductivity, photovoltage, and gas sensing, and has a role in ZnO electrical conduction. Using x-ray photoelectron spectroscopy on ZnO nanowires, we observed a decomposition of ZnO under white light and formation of oxygen-depleted surface, which explains photoconductivity by the electron donation of oxygen vacancies. Our findings suggest that the observed decomposition of the ZnO lattice may only take place due to photon-induced reduction of ZnO by carbon containing molecules (or carbo-photonic reduction), possibly from the ambient gas, accounting in a consistent way for both the reduced demands on the energy required for decomposition and for the observed emission of lattice oxygen in the form of CO 2 . The formation of oxygen-vacancy rich surface is suggested to induce surface delta doping, causing accumulation of electrons at the surface, which accounts for both the increase in conductivity and the flattening of the energy bands. Using surface photovoltage spectroscopy in ultra high vacuum, we monitored changes in the deep level spectrum. We observe a wide optical transition from a deep acceptor to the conduction band, which energy position coincides with the position of the so called “green luminescence” in ZnO. This green transition disappears with the formation of surface oxygen vacancies. Since the oxygen vacancies are donors, while the green transition involves surface acceptors, the results suggest that the initial emission of oxygen originates at the defect sites of the latter, thereby eliminating each other. This suggests that the green transition originates at surface Zn vacancy acceptors. Removing an oxygen atom from a Zn vacancy completes

  14. Interaction of light with the ZnO surface: Photon induced oxygen “breathing,” oxygen vacancies, persistent photoconductivity, and persistent photovoltage

    Energy Technology Data Exchange (ETDEWEB)

    Gurwitz, Ron; Cohen, Rotem; Shalish, Ilan, E-mail: shalish@ee.bgu.ac.il [Ben Gurion University, Beer Sheva 84105 (Israel)

    2014-01-21

    ZnO surfaces adsorb oxygen in the dark and emit CO{sub 2} when exposed to white light, reminiscent of the lungs of living creatures. We find that this exchange of oxygen with the ambient affects the integrity of the ZnO surface. Thus, it forms a basis for several interesting surface phenomena in ZnO, such as photoconductivity, photovoltage, and gas sensing, and has a role in ZnO electrical conduction. Using x-ray photoelectron spectroscopy on ZnO nanowires, we observed a decomposition of ZnO under white light and formation of oxygen-depleted surface, which explains photoconductivity by the electron donation of oxygen vacancies. Our findings suggest that the observed decomposition of the ZnO lattice may only take place due to photon-induced reduction of ZnO by carbon containing molecules (or carbo-photonic reduction), possibly from the ambient gas, accounting in a consistent way for both the reduced demands on the energy required for decomposition and for the observed emission of lattice oxygen in the form of CO{sub 2}. The formation of oxygen-vacancy rich surface is suggested to induce surface delta doping, causing accumulation of electrons at the surface, which accounts for both the increase in conductivity and the flattening of the energy bands. Using surface photovoltage spectroscopy in ultra high vacuum, we monitored changes in the deep level spectrum. We observe a wide optical transition from a deep acceptor to the conduction band, which energy position coincides with the position of the so called “green luminescence” in ZnO. This green transition disappears with the formation of surface oxygen vacancies. Since the oxygen vacancies are donors, while the green transition involves surface acceptors, the results suggest that the initial emission of oxygen originates at the defect sites of the latter, thereby eliminating each other. This suggests that the green transition originates at surface Zn vacancy acceptors. Removing an oxygen atom from a Zn vacancy

  15. Modeling of the structure and properties of oxygen vacancies in amorphous silica

    International Nuclear Information System (INIS)

    Mukhopadhyay, Sanghamitra; Sushko, Peter V.; Stoneham, A. Marshall; Shluger, Alexander L.

    2004-01-01

    We used an embedded cluster method to predict and characterize possible structural types of neutral and positively charged oxygen vacancies in amorphous silica. Defects were treated at 70 different oxygen sites of continuous random network amorphous structure generated using classical molecular dynamics. The neutral vacancies are characterized by a wide distribution of formation energies and structural parameters. Our modeling predicts the two major structural types of positively charged vacancies (E ' centers): dimer and dangling bond centers. The local structure of both types of centers depends on the medium range structure of the surrounding amorphous network. The majority of the dangling bond centers are unpuckered. We used structural 'fingerprints' derived from similar calculations of oxygen vacancy type centers in quartz and from experiment to find two other structural types of dangling bond centers: the puckered configuration and the back-projected configuration of E ' centers. In each case we find a distribution of both structural and EPR parameters. However, the average values of the EPR parameters for all dangling bond configurations are very similar. The structural criteria which favor the formation of different types of centers in the original amorphous structure are formulated in terms of the average Si-O distance of oxygen ion with its two neighboring silicon ions

  16. Pinning by oxygen vacancies in high-Tc superconductors

    International Nuclear Information System (INIS)

    Chudnovsky, E.M.

    1990-01-01

    It is shown that recent data of Murray et al. on spatial correlations in flux lattices of Bi-Sr-Ca-Cu-O (BSCCO) may be explained if one assumes that 1% of oxygen atoms in CuO 2 layers are missing. This estimate, being in remarkable agreement with that deduced by Kes and van der Beek from ac-susceptibility measurements, provides strong confidence that oxygen vacancies are the major source of pinning in BSCCO

  17. Effect of annealing ambience on the formation of surface/bulk oxygen vacancies in TiO2 for photocatalytic hydrogen evolution

    Science.gov (United States)

    Hou, Lili; Zhang, Min; Guan, Zhongjie; Li, Qiuye; Yang, Jianjun

    2018-01-01

    The surface and bulk oxygen vacancy have a prominent effect on the photocatalytic performance of TiO2. In this study, TiO2 possessing different types and concentration of oxygen vacancies were prepared by annealing nanotube titanic acid (NTA) at various temperatures in air or vacuum atmosphere. TiO2 with the unitary bulk single-electron-trapped oxygen vacancies (SETOVs) formed when NTA were calcined in air. Whereas, TiO2 with both bulk and surface oxygen vacancies were obtained when NTA were annealed in vacuum. The series of TiO2 with different oxygen vacancies were systematically characterized by TEM, XRD, PL, XPS, ESR, and TGA. The PL and ESR analysis verified that surface oxygen vacancies and more bulk oxygen vacancies could form in vacuum atmosphere. Surface oxygen vacancies can trap electron and hinder the recombination of photo-generated charges, while bulk SETOVs act as the recombination center. The surface or bulk oxygen vacancies attributed different roles on the photo-absorbance and activity, leading that the sample of NTA-A400 displayed higher hydrogen evolution rate under UV light, whereas NTA-V400 displayed higher hydrogen evolution rate under visible light because bulk SETOVs can improve visible light absorption because sub-band formed by bulk SETOVs prompted the secondary transition of electron excited.

  18. Phosphorous vacancy nearest neighbor hopping induced instabilities in InP capacitors II. Computer simulation

    International Nuclear Information System (INIS)

    Juang, M.T.; Wager, J.F.; Van Vechten, J.A.

    1988-01-01

    Drain current drift in InP metal insulator semiconductor devices display distinct activation energies and pre-exponential factors. The authors have given evidence that these result from two physical mechanisms: thermionic tunneling of electrons into native oxide traps and phosphorous vacancy nearest neighbor hopping (PVNNH). They here present a computer simulation of the effect of the PVNHH mechanism on flatband voltage shift vs. bias stress time measurements. The simulation is based on an analysis of the kinetics of the PVNNH defect reaction sequence in which the electron concentration in the channel is related to the applied bias by a solution of the Poisson equation. The simulation demonstrates quantitatively that the temperature dependence of the flatband shift is associated with PVNNH for temperatures above room temperature

  19. A theoretical study of stability and vacancy replenishing of MoO{sub 3}(0 1 0) surfaces in oxygen atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Lei, Yan-Hua; Chen, Zhao-Xu, E-mail: zxchen@nju.edu.cn

    2016-01-15

    Graphical abstract: - Highlights: • Under normal experimental conditions perfect surface of MoO{sub 3}(0 1 0) is favorable. • Line defects along asymmetric oxygen direction in lean oxygen condition are favored. • Vacancy replenishing occurs on vacancies formed by terminal and asymmetrical oxygen. - Abstract: Oxygen vacancies on transition metal oxide surfaces are catalytically very important. The stability, shape and replenishing process of the vacancies are critical to understanding reactions happening on the surfaces. In this paper we investigate the stability of various defective MoO{sub 3}(0 1 0) surfaces and examine the influence of environmental oxygen on the stability as well as the active sites for the replenishing process. Our calculations reveal that the line oxygen defect along a (asymmetric oxygen) direction is thermodynamically most favorable at higher defect concentration whereas point defect surfaces are unfavorable. Under normal experimental conditions the perfect surface dominates the MoO{sub 3}(0 1 0). We show that for stoichiometric surfaces of any oxides (A{sub x}O{sub y}) the formation energy per vacancy controls the favorable defect shape (line or point defects). Calculations indicate that O{sub 2} can dissociate readily on the surfaces that double vacancies share one Mo atom. The replenishing process of the oxygen vacancies through O{sub 2} dissociation most likely occurs on the double-vacancy containing one terminal and one asymmetrical oxygen vacancies.

  20. Oxygen vacancies: The origin of n -type conductivity in ZnO

    Science.gov (United States)

    Liu, Lishu; Mei, Zengxia; Tang, Aihua; Azarov, Alexander; Kuznetsov, Andrej; Xue, Qi-Kun; Du, Xiaolong

    2016-06-01

    Oxygen vacancy (VO) is a common native point defect that plays crucial roles in determining the physical and chemical properties of metal oxides such as ZnO. However, fundamental understanding of VO is still very sparse. Specifically, whether VO is mainly responsible for the n -type conductivity in ZnO has been still unsettled in the past 50 years. Here, we report on a study of oxygen self-diffusion by conceiving and growing oxygen-isotope ZnO heterostructures with delicately controlled chemical potential and Fermi level. The diffusion process is found to be predominantly mediated by VO. We further demonstrate that, in contrast to the general belief of their neutral attribute, the oxygen vacancies in ZnO are actually +2 charged and thus responsible for the unintentional n -type conductivity as well as the nonstoichiometry of ZnO. The methodology can be extended to study oxygen-related point defects and their energetics in other technologically important oxide materials.

  1. Segregation and Migration of the Oxygen Vacancies in the 3 (111) Tilt Grain Boundaries of Ceria

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Fenglin [Univ. of Tennessee, Knoxville, TN (United States); Liu, Bin [Univ. of Tennessee, Knoxville, TN (United States); Zhang, Yanwen [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Weber, William J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-03-01

    In nanocrystalline materials, defect-grain boundary (GB) interaction plays a key role in determining the structure stability, as well as size-dependent ionic, electronic, magnetic and chemical properties. In this study, we systematically investigated using density functional theory segregation and migration of oxygen vacancies at the Σ3 [110] / (111) grain boundary of ceria. Three oxygen layers near the GB are predicted to be segregation sites for oxygen vacancies. Moreover, the presence of oxygen vacancies stabilizes this tilt GB at a low Fermi level and/or oxygen poor conditions. An atomic strain model was proposed to rationalize layer dependency of the relaxation energy for +2 charged oxygen vacancy. The structural origin of large relaxation energies at layers 1 and 2 was determined to be free-volume space that induces ion relaxation towards the GB. Our results not only pave the way for improving the oxygen transport near GBs of ceria, but also provide important insights into engineering the GB structure for better ionic, magnetic and chemical properties of nanocrystalline ceria.

  2. Strain-induced oxygen vacancies in ultrathin epitaxial CaMnO3 films

    Science.gov (United States)

    Chandrasena, Ravini; Yang, Weibing; Lei, Qingyu; Delgado-Jaime, Mario; de Groot, Frank; Arenholz, Elke; Kobayashi, Keisuke; Aschauer, Ulrich; Spaldin, Nicola; Xi, Xiaoxing; Gray, Alexander

    Dynamic control of strain-induced ionic defects in transition-metal oxides is considered to be an exciting new avenue towards creating materials with novel electronic, magnetic and structural properties. Here we use atomic layer-by-layer laser molecular beam epitaxy to synthesize high-quality ultrathin single-crystalline CaMnO3 films with systematically varying coherent tensile strain. We then utilize a combination of high-resolution soft x-ray absorption spectroscopy and bulk-sensitive hard x-ray photoemission spectroscopy in conjunction with first-principles theory and core-hole multiplet calculations to establish a direct link between the coherent in-plane strain and the oxygen-vacancy content. We show that the oxygen vacancies are highly mobile, which necessitates an in-situ-grown capping layer in order to preserve the original strain-induced oxygen-vacancy content. Our findings open the door for designing and controlling new ionically active properties in strongly-correlated transition-metal oxides.

  3. Oxygen vacancy defects in Ta{sub 2}O{sub 5} showing long-range atomic re-arrangements

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Yuzheng; Robertson, John [Engineering Department, Cambridge University, Cambridge CB2 1PZ (United Kingdom)

    2014-03-17

    The structure, formation energy, and energy levels of the various oxygen vacancies in Ta{sub 2}O{sub 5} have been calculated using the λ phase model. The intra-layer vacancies give rise to unusual, long-range bonding rearrangements, which are different for each defect charge state. The 2-fold coordinated intra-layer vacancy is the lowest cost vacancy and forms a deep level 1.5 eV below the conduction band edge. The 3-fold intra-layer vacancy and the 2-fold inter-layer vacancy are higher cost defects, and form shallower levels. The unusual bonding rearrangements lead to low oxygen migration barriers, which are useful for resistive random access memory applications.

  4. Electro-oxidation of water on hematite: Effects of surface termination and oxygen vacancies investigated by first-principles

    DEFF Research Database (Denmark)

    Hellman, Anders; Iandolo, Beniamino; Wickman, Bjorn

    2015-01-01

    The oxygen evolution reaction on hydroxyl- and oxygen-terminated hematite was investigated using first-principle calculations within a theoretical electrochemical framework. Both pristine hematite and hematite containing oxygen vacancies were considered. The onset potential was determined to be 1...... on hematite occurs on the oxygen-terminated hematite, containing oxygen vacancies. (C) 2015 Elsevier B.V. All rights reserved....

  5. In Situ Observation of Oxygen Vacancy Dynamics and Ordering in the Epitaxial LaCoO3 System.

    Science.gov (United States)

    Jang, Jae Hyuck; Kim, Young-Min; He, Qian; Mishra, Rohan; Qiao, Liang; Biegalski, Michael D; Lupini, Andrew R; Pantelides, Sokrates T; Pennycook, Stephen J; Kalinin, Sergei V; Borisevich, Albina Y

    2017-07-25

    Vacancy dynamics and ordering underpin the electrochemical functionality of complex oxides and strongly couple to their physical properties. In the field of the epitaxial thin films, where connection between chemistry and film properties can be most clearly revealed, the effects related to oxygen vacancies are attracting increasing attention. In this article, we report a direct, real-time, atomic level observation of the formation of oxygen vacancies in the epitaxial LaCoO 3 thin films and heterostructures under the influence of the electron beam utilizing scanning transmission electron microscopy (STEM). In the case of LaCoO 3 /SrTiO 3 superlattice, the formation of the oxygen vacancies is shown to produce quantifiable changes in the interatomic distances, as well as qualitative changes in the symmetry of the Co sites manifested as off-center displacements. The onset of these changes was observed in both the [100] pc and [110] pc orientations in real time. Additionally, annular bright field images directly show the formation of oxygen vacancy channels along [110]pc direction. In the case of 15 u.c. LaCoO 3 thin film, we observe the sequence of events during beam-induced formation of oxygen vacancy ordered phases and find them consistent with similar processes in the bulk. Moreover, we record the dynamics of the nucleation, growth, and defect interaction at the atomic scale as these transformations happen. These results demonstrate that we can track dynamic oxygen vacancy behavior with STEM, generating atomic-level quantitative information on phase transformation and oxygen diffusion.

  6. Controlled oxygen vacancy induced p-type conductivity in HfO{sub 2-x} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Hildebrandt, Erwin; Kurian, Jose; Mueller, Mathis M.; Kleebe, Hans-Joachim; Alff, Lambert [Institute of Materials Science, Technische Universitaet Darmstadt, 64287 Darmstadt (Germany); Schroeder, Thomas [IHP, 15236 Frankfurt/Oder (Germany)

    2011-09-12

    We have synthesized highly oxygen deficient HfO{sub 2-x} thin films by controlled oxygen engineering using reactive molecular beam epitaxy. Above a threshold value of oxygen vacancies, p-type conductivity sets in with up to 6 times 10{sup 21} charge carriers per cm{sup 3}. At the same time, the band-gap is reduced continuously by more than 1 eV. We suggest an oxygen vacancy induced p-type defect band as origin of the observed behavior.

  7. Spin-dependent recombination involving oxygen-vacancy complexes in silicon

    Science.gov (United States)

    Franke, David P.; Hoehne, Felix; Vlasenko, Leonid S.; Itoh, Kohei M.; Brandt, Martin S.

    2014-05-01

    Spin-dependent relaxation and recombination processes in γ-irradiated n-type Czochralski-grown silicon are studied using continuous wave (cw) and pulsed electrically detected magnetic resonance (EDMR). Two processes involving the SL1 center, the neutral excited triplet state of the oxygen-vacancy complex, are observed which can be separated by their different dynamics. One of the processes is the relaxation of the excited SL1 state to the ground state of the oxygen-vacancy complex, the other a charge transfer between 31P donors and SL1 centers forming close pairs, as indicated by electrically detected electron double resonance. For both processes, the recombination dynamics is studied with pulsed EDMR techniques. We demonstrate the feasibility of true zero-field cw and pulsed EDMR for spin-1 systems and use this to measure the lifetimes of the different spin states of SL1 also at vanishing external magnetic field.

  8. Hydrogen peroxide reduction in the oxygen vacancies of ZnO nanotubes

    International Nuclear Information System (INIS)

    Peyghan, Ali Ahmadi; Laeen, Shima Parizad; Aslanzadeh, Saeed Amir; Moradi, Morteza

    2014-01-01

    The adsorption of a H 2 O 2 molecule on the pristine and O-vacancy defected ZnO nanotubes was investigated by means of density functional calculations. It was found that the molecule prefers to attach to two zinc atoms of the tube from its two oxygen atoms with the adsorption energy of 254.1 kJ/mol. Attachment of the H 2 O 2 to the wall of the tube does not have any significant influence on its highest occupied molecular orbital/lowest unoccupied molecular orbital gap (E g ). The presence of oxygen vacancy defect causes a decrease in the E g of the tube and, as a consequence, may cause an increase in the conductivity of the tube. The zinc atoms of the defect are more reactive toward H 2 O 2 reduction to H 2 O than perfect ones with the adsorption energy of 617.4 kJ/mol. During the adsorption process, the H 2 O 2 was reoriented in such a way that its O atom has diffused into vacancy site, so that O-O and O-H bonds of the molecule were dissociated and an H 2 O is formed. Thus, we think that ZnO-NTs may be a candidate for electrochemical reduction and detection of H 2 O 2 . - Highlights: • H 2 O 2 adsorption on pristine and O-vacancy defected ZnO nanotubes was studied by DFT. • H 2 O 2 does not have any significant influence on the gap of the tube. • Presence of oxygen vacancy defect causes a decrease in the gap of the tube. • ZnO nanotubes may be a candidate for electrochemical reduction and detection of H 2 O 2

  9. Control of oxygen vacancies and Ce+3 concentrations in doped ceria nanoparticles via the selection of lanthanide element

    International Nuclear Information System (INIS)

    Shehata, N.; Meehan, K.; Hudait, M.; Jain, N.

    2012-01-01

    The effect of lanthanides that have positive association energies with oxygen vacancies, such as samarium and neodymium, and the elements with negative association energies, such as holmium and erbium, on ionization state of cerium and, consequentially, the oxygen vacancy concentration in doped ceria nanoparticles are investigated in this article. Structural and optical characterizations of the doped and undoped ceria nanoparticles, synthesized using chemical precipitation, are carried out using transmission electron microscopy, X-ray diffractometry, optical absorption spectroscopy, and fluorescence spectroscopy. It is deduced that the negative association energy dopants decrease the conversion of Ce +4 into Ce +3 and, hence, scavenge the oxygen vacancies, evidenced by the observed increase in the allowed direct bandgap, decrease in the integrated fluorescence intensity, and increased the size of doped nanoparticles. The opposite trends are obtained when the positive association dopants are used. It is concluded that the determining factor as to whether a lanthanide dopant in ceria acts as a generator or scavenger of oxygen vacancies in ceria nanoparticles is the sign of the association energy between the element and the oxygen vacancies. The ability to tailor the ionization state of cerium and the oxygen vacancy concentration in ceria has applications in a broad range of fields, which include catalysis, biomedicine, electronics, and environmental sensing.

  10. First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques

    International Nuclear Information System (INIS)

    Fang, H. Z.; Shang, S. L.; Wang, Y.; Liu, Z. K.; Alfonso, D.; Alman, D. E.; Shin, Y. K.; Zou, C. Y.; Duin, A. C. T. van; Lei, Y. K.; Wang, G. F.

    2014-01-01

    This paper is concerned with the prediction of oxygen diffusivities in fcc nickel from first-principles calculations and large-scale atomic simulations. Considering only the interstitial octahedral to tetrahedral to octahedral minimum energy pathway for oxygen diffusion in fcc lattice, greatly underestimates the migration barrier and overestimates the diffusivities by several orders of magnitude. The results indicate that vacancies in the Ni-lattice significantly impact the migration barrier of oxygen in nickel. Incorporation of the effect of vacancies results in predicted diffusivities consistent with available experimental data. First-principles calculations show that at high temperatures the vacancy concentration is comparable to the oxygen solubility, and there is a strong binding energy and a redistribution of charge density between the oxygen atom and vacancy. Consequently, there is a strong attraction between the oxygen and vacancy in the Ni lattice, which impacts diffusion

  11. Oxygen vacancy-induced ferromagnetism in un-doped ZnO thin films

    Science.gov (United States)

    Zhan, Peng; Wang, Weipeng; Liu, Can; Hu, Yang; Li, Zhengcao; Zhang, Zhengjun; Zhang, Peng; Wang, Baoyi; Cao, Xingzhong

    2012-02-01

    ZnO films became ferromagnetic when defects were introduced by thermal-annealing in flowing argon. This ferromagnetism, as shown by the photoluminescence measurement and positron annihilation analysis, was induced by the singly occupied oxygen vacancy with a saturated magnetization dependent positively on the amount of this vacancy. This study clarified the origin of the ferromagnetism of un-doped ZnO thin films and provides possibly an alternative way to prepare ferromagnetic ZnO films.

  12. Effects of oxygen vacancies on the structural and optical properties of β-Ga2O3.

    Science.gov (United States)

    Dong, Linpeng; Jia, Renxu; Xin, Bin; Peng, Bo; Zhang, Yuming

    2017-01-09

    The structural, electronic, and optical properties of β-Ga 2 O 3 with oxygen vacancies are studied by employing first-principles calculations based on density function theory. Based on the defects formation energies, we conclude the oxygen vacancies are most stable in their fully charge states. The electronic structures and optical properties of β-Ga 2 O 3 are calculated by Generalized Gradient Approximation + U formalisms with the Hubbard U parameters set 7.0 eV and 8.5 eV for Ga and O ions, respectively. The calculated bandgap is 4.92 eV, which is consistent with the experimental value. The static real dielectric constants of the defective structures are increased compared with the intrinsic one, which is attributed to the level caused by the Ga-4s states in the bandgap. Extra peaks are introduced in the absorption spectra, which are related to Ga-4s and O-2p states. Experimentally, β-Ga 2 O 3 films are deposited under different O 2 volume percentage with ratio-frequency magnetron sputtering method. The measured results indicate that oxygen vacancies can induce extra emission peaks in the photoluminescence spectrum, the location of these peaks are close to the calculated results. Extra O 2 can increase the formation energies of oxygen vacancies and thus reduce oxygen vacancies in β-Ga 2 O 3 .

  13. Oxygen vacancies as active sites for water dissociation on rutile TiO2(110)

    DEFF Research Database (Denmark)

    Schaub, R.; Thostrup, P.; Lopez, Nuria

    2001-01-01

    to dissociate H2O through the transfer of one proton to a nearby oxygen atom, forming two hydroxyl groups for every vacancy. The amount of water dissociation is limited by the density of oxygen vacancies present on the clean surface exclusively. The dissociation process sets in as soon as molecular water...

  14. High temperature thermoelectric properties of strontium titanate thin films with oxygen vacancy and niobium doping

    KAUST Repository

    Sarath Kumar, S. R.; Barasheed, Abeer Z.; Alshareef, Husam N.

    2013-01-01

    We report the evolution of high temperature thermoelectric properties of SrTiO3 thin films doped with Nb and oxygen vacancies. Structure-property relations in this important thermoelectric oxide are elucidated and the variation of transport properties with dopant concentrations is discussed. Oxygen vacancies are incorporated during growth or annealing in Ar/H2 above 800 K. An increase in lattice constant due to the inclusion of Nb and oxygen vacancies is found to result in an increase in carrier density and electrical conductivity with simultaneous decrease in carrier effective mass and Seebeck coefficient. The lattice thermal conductivity at 300 K is found to be 2.22 W m-1 K-1, and the estimated figure of merit is 0.29 at 1000 K. © 2013 American Chemical Society.

  15. High temperature thermoelectric properties of strontium titanate thin films with oxygen vacancy and niobium doping

    KAUST Repository

    Sarath Kumar, S. R.

    2013-08-14

    We report the evolution of high temperature thermoelectric properties of SrTiO3 thin films doped with Nb and oxygen vacancies. Structure-property relations in this important thermoelectric oxide are elucidated and the variation of transport properties with dopant concentrations is discussed. Oxygen vacancies are incorporated during growth or annealing in Ar/H2 above 800 K. An increase in lattice constant due to the inclusion of Nb and oxygen vacancies is found to result in an increase in carrier density and electrical conductivity with simultaneous decrease in carrier effective mass and Seebeck coefficient. The lattice thermal conductivity at 300 K is found to be 2.22 W m-1 K-1, and the estimated figure of merit is 0.29 at 1000 K. © 2013 American Chemical Society.

  16. Oxygen-vacancy defects on BaTiO3 (001) surface: a quantum chemical study

    International Nuclear Information System (INIS)

    Duque, Carlos; Stashans, Arvids

    2003-01-01

    A quantum-chemical study of technologically important BaTiO 3 crystal and oxygen-vacancy defects on its (001) surface is reported in the present work. The computations are made using a quantum-chemical method developed for periodic systems (crystals), which is based on the Hartree-Fock theory. The atomic rearrangement due to the surface creation is obtained for a pure BaTiO 3 by means of the periodic large unit cell (LUC) model and using an automated geometry optimisation procedure. The same technique is employed to study the electronic and structural properties of the material due to the presence of an O vacancy and F centre (two electrons trapped in an oxygen vacancy). The computations are carried out for both cubic and tetragonal lattices

  17. Deep vs shallow nature of oxygen vacancies and consequent n -type carrier concentrations in transparent conducting oxides

    Science.gov (United States)

    Buckeridge, J.; Catlow, C. R. A.; Farrow, M. R.; Logsdail, A. J.; Scanlon, D. O.; Keal, T. W.; Sherwood, P.; Woodley, S. M.; Sokol, A. A.; Walsh, A.

    2018-05-01

    The source of n -type conductivity in undoped transparent conducting oxides has been a topic of debate for several decades. The point defect of most interest in this respect is the oxygen vacancy, but there are many conflicting reports on the shallow versus deep nature of its related electronic states. Here, using a hybrid quantum mechanical/molecular mechanical embedded cluster approach, we have computed formation and ionization energies of oxygen vacancies in three representative transparent conducting oxides: In2O3 ,SnO2, and ZnO. We find that, in all three systems, oxygen vacancies form well-localized, compact donors. We demonstrate, however, that such compactness does not preclude the possibility of these states being shallow in nature, by considering the energetic balance between the vacancy binding electrons that are in localized orbitals or in effective-mass-like diffuse orbitals. Our results show that, thermodynamically, oxygen vacancies in bulk In2O3 introduce states above the conduction band minimum that contribute significantly to the observed conductivity properties of undoped samples. For ZnO and SnO2, the states are deep, and our calculated ionization energies agree well with thermochemical and optical experiments. Our computed equilibrium defect and carrier concentrations, however, demonstrate that these deep states may nevertheless lead to significant intrinsic n -type conductivity under reducing conditions at elevated temperatures. Our study indicates the importance of oxygen vacancies in relation to intrinsic carrier concentrations not only in In2O3 , but also in SnO2 and ZnO.

  18. Trapping of oxygen vacancies on twin walls of CaTiO3: a computer simulation study

    International Nuclear Information System (INIS)

    Calleja, Mark; Dove, Martin T; Salje, Ekhard K H

    2003-01-01

    We have studied the atomic structure of [001] 90 deg. rotation twin walls in orthorhombic CaTiO 3 (symmetry Pbnm) at low temperature (10 K) and their effects on oxygen vacancies. The wall thickness was found to be 2.3 nm at T || T c and it was found that it is energetically favourable for such vacancies to reside in the wall, particularly when bridging titania ions in the (001) plane. The binding energy of an oxygen vacancy in the wall with respect to the bulk is calculated to be ≤ 1.2 eV

  19. Effects of hydration and oxygen vacancy on CO2 adsorption and activation on beta-Ga2O3(100).

    Science.gov (United States)

    Pan, Yun-xiang; Liu, Chang-jun; Mei, Donghai; Ge, Qingfeng

    2010-04-20

    The effects of hydration and oxygen vacancy on CO(2) adsorption on the beta-Ga(2)O(3)(100) surface have been studied using density functional theory slab calculations. Adsorbed CO(2) is activated on the dry perfect beta-Ga(2)O(3)(100) surface, resulting in a carbonate species. This adsorption is slightly endothermic, with an adsorption energy of 0.07 eV. Water is preferably adsorbed molecularly on the dry perfect beta-Ga(2)O(3)(100) surface with an adsorption energy of -0.56 eV, producing a hydrated perfect beta-Ga(2)O(3)(100) surface. Adsorption of CO(2) on the hydrated surface as a carbonate species is also endothermic, with an adsorption energy of 0.14 eV, indicating a slightly repulsive interaction when H(2)O and CO(2) are coadsorbed. The carbonate species on the hydrated perfect surface can be protonated by the coadsorbed H(2)O to a bicarbonate species, making the CO(2) adsorption exothermic, with an adsorption energy of -0.13 eV. The effect of defects on CO(2) adsorption and activation has been examined by creating an oxygen vacancy on the dry beta-Ga(2)O(3)(100) surface. The formation of an oxygen vacancy is endothermic, by 0.34 eV, with respect to a free O(2) molecule in the gas phase. Presence of the oxygen vacancy promoted the adsorption and activation of CO(2). In the most stable CO(2) adsorption configuration on the dry defective beta-Ga(2)O(3)(100) surface with an oxygen vacancy, one of the oxygen atoms of the adsorbed CO(2) occupies the oxygen vacancy site, and the CO(2) adsorption energy is -0.31 eV. Water favors dissociative adsorption at the oxygen vacancy site on the defective surface. This process is spontaneous, with a reaction energy of -0.62 eV. These results indicate that, when water and CO(2) are present in the adsorption system simultaneously, water will compete with CO(2) for the oxygen vacancy sites and impact CO(2) adsorption and conversion negatively.

  20. Ferromagnetism and half metallicity induced by oxygen vacancies in the double perovskite BaSrNiWO{sub 6}: DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Aharbil, Y. [Laboratoire de Chimie Physique des Matériaux LCPM, Faculté des Sciences Ben M' Sik, Casablanca (Morocco); Labrim, H. [Unité Science de la Matière/DERS/Centre National de l’Energie, des Sciences et des Techniques Nucléaires (CNESTEN), Rabat (Morocco); Benmokhtar, S.; Haddouch, M. Ait [Laboratoire de Chimie Physique des Matériaux LCPM, Faculté des Sciences Ben M' Sik, Casablanca (Morocco); Bahmad, L., E-mail: bahmad@fsr.ac.ma [Mohammed V University in Rabat, Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E. URAC-12, B.P. 1014, Rabat (Morocco); Belhaj, A. [LIRST, Département de Physique, Faculté Poly-disciplinaire, Université Sultan Moulay Slimane, Béni Mellal (Morocco); Ez-Zahraouy, H.; Benyoussef, A. [Mohammed V University in Rabat, Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E. URAC-12, B.P. 1014, Rabat (Morocco)

    2016-11-01

    Using the spin polarized density functional theory (DFT) and exploring the Plane-Wave Self-Consistent Field (PWscf) code implemented in Quantum-ESPRESSO package, we investigate the effect of the Oxygen vacancies (V{sub O}) and the Oxygen interstitial (O{sub i}) on the double perovskite BaSrNiWO{sub 6}. This deals with the magnetic ordering and the electronic structure in such a pure sample exhibiting the insulating anti-ferromagnetic (AFM) state. This study shows that the presence of oxygen deficient defects converts the insulating to half metal with ferromagnetic or anti-ferromagnetic states. The magnetic ordering in BaSrNiWO{sub 6−δ} depends on the position of the Oxygen vacancy in the unit cell. However, it has been shown that the Oxygen interstitial preserves the anti-ferromagnetic propriety. We have computed the formation energies of different positions of the Oxygen vacancy (V{sub O}) and the Oxygen interstitial (O{sub i}) in the BaSrNiWO{sub 6} compound. We showed that the formation of V{sub O} is easier and vice versa for the O{sub i} formation. The obtained results reveal(V{sub O}) and the Oxygen interstitial (O{sub i}) that the anti-ferromagnetic can be converted to ferromagnetic in the double perovskite BaSrNiWO{sub 6} induced by Oxygen vacancies V{sub O}. - Highlights: • We have studied the ferromagnetism and Half Metallicity in Double Perovskite BaSrNiWO{sub 6}. • We have applied the Ab-inito calculations using the DFT approach. • We showed the effects induced by Oxygen Vacancies and Oxygen interstitial. • We found that the magnetic ordering in BaSrNiWO{sub 6−δ} depends on the position of the Oxygen vacancy in the unit cell.

  1. First principle simulations on the effects of oxygen vacancy in HfO2-based RRAM

    Directory of Open Access Journals (Sweden)

    Yuehua Dai

    2015-01-01

    Full Text Available HfO2-based resistive random access memory (RRAM takes advantage of oxygen vacancy (V o defects in its principle of operation. Since the change in resistivity of the material is controlled by the level of oxygen deficiency in the material, it is significantly important to study the performance of oxygen vacancies in formation of conductive filament. Excluding effects of the applied voltage, the Vienna ab initio simulation package (VASP is used to investigate the orientation and concentration mechanism of the oxygen vacancies based on the first principle. The optimal value of crystal orientation [010] is identified by means of the calculated isosurface plots of partial charge density, formation energy, highest isosurface value, migration barrier, and energy band of oxygen vacancy in ten established orientation systems. It will effectively influence the SET voltage, forming voltage, and the ON/OFF ratio of the device. Based on the results of orientation dependence, different concentration models are established along crystal orientation [010]. The performance of proposed concentration models is evaluated and analyzed in this paper. The film is weakly conductive for the samples deposited in a mixture with less than 4.167at.% of V o contents, and the resistive switching (RS phenomenon cannot be observed in this case. The RS behavior improves with an increase in the V o contents from 4.167at.% to 6.25at.%; nonetheless, it is found difficult to switch to a stable state. However, a higher V o concentration shows a more favorable uniformity and stability for HfO2-based RRAM.

  2. Identification of the gallium vacancy-oxygen pair defect in GaN

    International Nuclear Information System (INIS)

    Son, N. T.; Hemmingsson, C. G.; Janzen, E.; Paskova, T.; Evans, K. R.; Usui, A.; Morishita, N.; Ohshima, T.; Isoya, J.; Monemar, B.

    2009-01-01

    Cation vacancies like V Ga , V Al and their complexes with oxygen are predicted to be abundant in III-nitrides and to play an important role in nonradiative recombination. Appearing in triple or double negatively charged states, they are not paramagnetic and have not so far been detected by magnetic resonance even under illumination. In this Brief Report, we demonstrate an efficient way to make cation vacancy defects in GaN detectable by electron paramagnetic resonance and present our identification of the V Ga O N pair in GaN which is the model material for the III-nitrides and their alloys.

  3. Microstructure evolution characteristics induced by oxygen vacancy generation in anatase TiO2 based resistive switching devices

    Science.gov (United States)

    Liu, Chen; Gao, Bin; Huang, Peng; Kang, Jinfeng

    2017-03-01

    In this work, first principle calculations are employed to study the microstructure characteristics of the anatase TiO2 resistive switching material associated with the generation of oxygen vacancy (V o) based nanofilaments during the switching process. The calculations indicate that both the magnéli phase Ti4O7 and V o-defect phase of anatase TiO2 may be formed with the generation of oxygen vacancies during the forming and SET processes. Based on the calculations, a new physical insight is proposed to clarify the microstructure evolution characteristics of the anatase TiO2 resistive switching material and the correlation with resistive switching behaviors. During the forming or SET process, the anatase TiO2 is first excited to a transition state with the generation of oxygen vacancies, then fully relaxes to a stable V o-defect state. This V o-defect state may either recover to the original state with the recombination of the oxygen vacancies, which causes the reversible resistive switching behavior, or further transform to a much more stable state—the magnéli phase Ti4O7, through a phase transition process with the generation of many more oxygen vacancies. The phase transition from V o- defective anatase phase to magnéli phase Ti4O7 causes the failure of the resistive switching due to the significantly reduced possibility of the reversible phase transition from the magnéli phase to the anatase phase, compared with the possibility of the recombination from the V o-defective anatase.

  4. Orbital Kondo effect due to assisted hopping: Superconductivity, mass enhancement in Cooper oxides with apical oxygen

    International Nuclear Information System (INIS)

    Zawadowski, A.; Penc, K.; Zimanyi, G.

    1991-07-01

    Orbital Kondo effect is treated in a model, where additional to the conduction band there are localized orbitals with energy not very far from the Fermi energy. If the hopping between the conduction band and the localized heavy orbitals depends on the occupation of the conduction band orbital then orbital Kondo correlation occurs. The assisted hopping vertex is enhanced due to the Coulomb interaction between the heavy orbital and the conduction band. The enhanced hopping results in mass enhancement and attractive interaction in the conduction band. The superconductivity transition temperature is calculated. The models of this type can be applied to the high-T c superconductors where the non-bonding oxygen orbitals of the apical oxygens play the role of heavy orbitals. For an essential range of the parameters the T c obtained is about 100K. (author). 22 refs, 9 figs

  5. Variable range hopping in ZnO films

    Science.gov (United States)

    Ali, Nasir; Ghosh, Subhasis

    2018-04-01

    We report the variable range hopping in ZnO films grown by RF magnetron sputtering in different argon and oxygen partial pressure. It has been found that Mott variable range hopping dominant over Efros variable range hopping in all ZnO films. It also has been found that hopping distance and energy increases with increasing oxygen partial pressure.

  6. Evidence of oxygen vacancy and possible intermediate gap state in layered α-MoO{sub 3} single-crystal nanobelts

    Energy Technology Data Exchange (ETDEWEB)

    Chen, C.Z., E-mail: tcccz@shu.edu.cn; Li, Y.; Tang, X.D.

    2016-01-15

    Multilayered meso-structured MoO{sub 3} nanobelts have been synthesized by thermally oxidizing a molybdenum chip in a reduced oxygen atmosphere, with a view to disclosing the existence of oxygen vacancy and understanding the mechanism behind the influence of oxygen vacancy on the electronic structure of molybdenum oxides. Based on the measurements from X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscope (SEM) and transmission electron microscope (TEM), it is found that the as-grown sample is single-crystal α-MoO{sub 3} with a (001) preferred orientation, which shows an irregular belt-like morphology being composed of some ~20 nm single-crystal thin layers. The present sample includes a lot of oxygen vacancies in the lattice, as evidenced by the considerably reduced coordination number of the central Mo atoms from X-ray absorption spectra (XAS) as well as the red shift of the main Raman peaks. The existence of the oxygen vacancies are further tested by the photoluminescence (PL) results as the main emission peak shows an obvious red shift with the corresponding optical band gap reduced to 2.3 eV. Very importantly, an extra emission positioned at 738 nm (1.68 eV) is believed to originate from the recombination of the electrons from the intermediate band (IB) to the valence band (VB), and the formation of the IB in the gap is also caused by oxygen-ion vacancies.

  7. Hydrogen vacancies facilitate hydrogen transport kinetics in sodium hydride nanocrystallites

    NARCIS (Netherlands)

    Singh, S.; Eijt, S.W.H.

    2008-01-01

    We report ab initio calculations based on density-functional theory, of the vacancy-mediated hydrogen migration energy in bulk NaH and near the NaH(001) surface. The estimated rate of the vacancy mediated hydrogen transport, obtained within a hopping diffusion model, is consistent with the reaction

  8. Effect of oxygen vacancies on the electronic and optical properties of tungsten oxide from first principles calculations

    Science.gov (United States)

    Mehmood, Faisal; Pachter, Ruth; Murphy, Neil R.; Johnson, Walter E.; Ramana, Chintalapalle V.

    2016-12-01

    In this work, we investigated theoretically the role of oxygen vacancies on the electronic and optical properties of cubic, γ-monoclinic, and tetragonal phases of tungsten oxide (WO3) thin films. Following the examination of structural properties and stability of the bulk tungsten oxide polymorphs, we analyzed band structures and optical properties, applying density functional theory (DFT) and GW (Green's (G) function approximation with screened Coulomb interaction (W)) methods. Careful benchmarking of calculated band gaps demonstrated the importance of using a range-separated functional, where results for the pristine room temperature γ-monoclinic structure indicated agreement with experiment. Further, modulation of the band gap for WO3 structures with oxygen vacancies was quantified. Dielectric functions for cubic WO3, calculated at both the single-particle, essentially time-dependent DFT, as well as many-body GW-Bethe-Salpeter equation levels, indicated agreement with experimental data for pristine WO3. Interestingly, we found that introducing oxygen vacancies caused appearance of lower energy absorptions. A smaller refractive index was indicated in the defective WO3 structures. These predictions could lead to further experiments aimed at tuning the optical properties of WO3 by introducing oxygen vacancies, particularly for the lower energy spectral region.

  9. Ultrafast atomic layer-by-layer oxygen vacancy-exchange diffusion in double-perovskite LnBaCo2O5.5+δ thin films.

    Science.gov (United States)

    Bao, Shanyong; Ma, Chunrui; Chen, Garry; Xu, Xing; Enriquez, Erik; Chen, Chonglin; Zhang, Yamei; Bettis, Jerry L; Whangbo, Myung-Hwan; Dong, Chuang; Zhang, Qingyu

    2014-04-22

    Surface exchange and oxygen vacancy diffusion dynamics were studied in double-perovskites LnBaCo2O5.5+δ (LnBCO) single-crystalline thin films (Ln = Er, Pr; -0.5 atoms in the LnBCO thin films is taking the layer by layer oxygen-vacancy-exchange mechanism. The first principles density functional theory calculations indicate that hydrogen atoms are present in LnBCO as bound to oxygen forming O-H bonds. This unprecedented oscillation phenomenon provides the first direct experimental evidence of the layer by layer oxygen vacancy exchange diffusion mechanism.

  10. First-Principles Study on the Structural and Electronic Properties of N Atoms Doped-Rutile TiO2 of Oxygen Vacancies

    Directory of Open Access Journals (Sweden)

    Zhong-Liang Zeng

    2015-01-01

    Full Text Available For the propose of considering the actual situation of electronic neutral, a simulation has been down on the basis of choosing the position of dual N and researching the oxygen vacancy. It is found that the reason why crystal material gets smaller is due to the emergence of impurity levels. By introducing the oxygen vacancy to the structure, the results show that while the oxygen vacancy is near the two nitrogen atoms which have a back to back position, its energy gets the lowest level and its structure gets the most stable state. From its energy band structure and density, the author finds that the impurity elements do not affect the migration of Fermi level while the oxygen vacancy has been increased. Instead of that, the conduction band of metal atoms moves to the Fermi level and then forms the N-type semiconductor material, but the photocatalytic activity is not as good as the dual N-doping state.

  11. Zinc vacancy and oxygen interstitial in ZnO revealed by sequential annealing and electron irradiation

    Science.gov (United States)

    Knutsen, K. E.; Galeckas, A.; Zubiaga, A.; Tuomisto, F.; Farlow, G. C.; Svensson, B. G.; Kuznetsov, A. Yu.

    2012-09-01

    By combining results from positron annihilation and photoluminescence spectroscopy with data from Hall effect measurements, the characteristic deep level emission centered at ˜1.75 eV and exhibiting an activation energy of thermal quenching of 11.5 meV is associated with the zinc vacancy. Further, a strong indication that oxygen interstitials act as a dominating acceptor is derived from the analysis of charge carrier losses induced by electron irradiation with variable energy below and above the threshold for Zn-atom displacement. We also demonstrate that the commonly observed green emission is related to an extrinsic acceptorlike impurity, which may be readily passivated by oxygen vacancies.

  12. Oxygen vacancy formation and migration in Sr- and Mg-doped LaGaO3: a density functional theory study

    International Nuclear Information System (INIS)

    Zhang Jie; Liang Er-Jun; Sun Qiang; Jia Yu

    2012-01-01

    Oxygen vacancy formation and migration in La 0.9 Sr 0.1 Ga 0.8 Mg 0.2 O 3−δ (LSGM) with various crystal symmetries (cubic, rhombohedral, orthorhombic, and monoclinic) are studied by employing first-principles calculations based on density functional theory (DFT). It is shown that the cubic LSGM has the smallest band gap, oxygen vacancy formation energy, and migration barrier, while the other three structures give rise to much larger values for these quantities, implying the best oxygen ion conductivity of the cubic LSGM among the four crystal structures. In our calculations, one oxygen vacancy migration pathway is considered in the cubic and rhombohedral structures due to all the oxygen sites being equivalent in them, while two vacancy migration pathways with different migration barriers are found in the orthorhombic and monoclinic symmetries owing to the existence of nonequivalent O 1 and O 2 oxygen sites. The migration energies along the migration pathway linking the two O 2 sites are obviously lower than those along the pathway linking the O 1 and O 2 sites. Considering the phase transitions at high temperatures, the results obtained in this paper can not only explain the experimentally observed different behaviours of the oxygen ionic conductivity of LSGM with different symmetries, but also predict the rational crystal structures of LSGM for solid oxide fuel cell applications. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  13. The role of Ar plasma treatment in generating oxygen vacancies in indium tin oxide thin films prepared by the sol-gel process

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, Deuk-Kyu [Department of Materials Science and Engineering, Yonsei University, 50 Yonsei-ro, Seoul, 03722 (Korea, Republic of); Misra, Mirnmoy; Lee, Ye-Eun [Department of BioNano Technology, Gachon University, 1342 Seong-nam dae-ro, Seong-nam si, Gyeonggi-do, 13120 (Korea, Republic of); Baek, Sung-Doo [Department of Materials Science and Engineering, Yonsei University, 50 Yonsei-ro, Seoul, 03722 (Korea, Republic of); Myoung, Jae-Min, E-mail: jmmyoung@yonsei.ac.kr [Department of Materials Science and Engineering, Yonsei University, 50 Yonsei-ro, Seoul, 03722 (Korea, Republic of); Lee, Tae Il, E-mail: t2.lee77@gachon.ac.kr [Department of BioNano Technology, Gachon University, 1342 Seong-nam dae-ro, Seong-nam si, Gyeonggi-do, 13120 (Korea, Republic of)

    2017-05-31

    Highlights: • Indium tin oxide thin film with about 41 nm thickness was obtained by the sol-gel process. • Thin film exhibited low resistivity. • Sheet resistance of thin film decreases with Ar plasma treatment time. • Ar plasma treatment on thin film does not alter the crystal structure and optical properties of the ITO thin-film. • There is no significant change in oxygen vacancies after 20 min of plasma treatment. - Abstract: Argon (Ar) plasma treatment was carried out to reduce the sheet resistance of indium tin oxide (ITO) thin films. The Ar plasma treatment did not cause any significant changes to the crystal structure, surface morphology, or optical properties of the ITO thin films. However, an X-ray photoelectron spectroscopy study confirmed that the concentration of oxygen vacancies in the film dramatically increased with the plasma treatment time. Thus, we concluded that the decrease in the sheet resistance was caused by the increase in the oxygen vacancy concentration in the film. Furthermore, to verify how the concentration of oxygen vacancies in the film increased with the Ar plasma treatment time, cumulative and continuous plasma treatments were conducted. The oxygen vacancies were found to be created by surface heating via the outward thermal diffusion of oxygen atoms from inside the film.

  14. The interplay between dopants and oxygen vacancies in the magnetism of V-doped TiO2

    KAUST Repository

    Grau-Crespo, Ricardo

    2011-08-03

    Density functional theory calculations indicate that the incorporation of V into Ti lattice positions of rutile TiO2 leads to magnetic V 4 + species, but the extension and sign of the coupling between dopant moments confirm that ferromagnetic order cannot be reached via low-concentration doping in the non-defective oxide. Oxygen vacancies can introduce additional magnetic centres, and we show here that one of the effects of vanadium doping is to reduce the formation energies of these defects. In the presence of both V dopants and O vacancies all the spins tend to align with the same orientation. We conclude that V doping favours the ferromagnetic behaviour of TiO2 not only by introducing spins associated with the dopant centres but also by increasing the concentration of oxygen vacancies with respect to the pure oxide. © 2001 IOP Publishing Ltd.

  15. The interplay between dopants and oxygen vacancies in the magnetism of V-doped TiO2

    KAUST Repository

    Grau-Crespo, Ricardo; Schwingenschlö gl, Udo

    2011-01-01

    Density functional theory calculations indicate that the incorporation of V into Ti lattice positions of rutile TiO2 leads to magnetic V 4 + species, but the extension and sign of the coupling between dopant moments confirm that ferromagnetic order cannot be reached via low-concentration doping in the non-defective oxide. Oxygen vacancies can introduce additional magnetic centres, and we show here that one of the effects of vanadium doping is to reduce the formation energies of these defects. In the presence of both V dopants and O vacancies all the spins tend to align with the same orientation. We conclude that V doping favours the ferromagnetic behaviour of TiO2 not only by introducing spins associated with the dopant centres but also by increasing the concentration of oxygen vacancies with respect to the pure oxide. © 2001 IOP Publishing Ltd.

  16. The effect of carbon and boron on the accumulation of vacancy-oxygen complexes in silicon

    International Nuclear Information System (INIS)

    Akhmetov, V.D.; Bolotov, V.V.

    1980-01-01

    By means of IR-absorption measurements the dose dependencies of the concentrations of vacancy-oxygen complexes (VO), interstitial oxygen atoms (Osub(I)), substitutional carbon atoms (Csub(S)) and interstitial carbon-oxygen complexes (Csub(I)Osub(I)) in n- and p-type silicon irradiated with 1.1 MeV electrons have been investigated. The observed increase of the production rate of VO-complexes with the rise of carbon and boron atoms concentrations (these impurities act as sinks for silicon interstitial atoms) has been explained in terms of annihilation of the vacancies and interstitials on the oxygen atoms. The results obtained show that boron atoms are more effective sinks than carbon atoms for the interstitial silicon atoms. That seems to be connected not only with the higher probability of boron injection into interstitial position but also with the further capture of interstitial silicon atoms on the interstitial boron, i.e. with the interstitial cluster formation. (author)

  17. Effect of oxygen vacancy distribution on the thermoelectric properties of La-doped SrTiO3 epitaxial thin films

    KAUST Repository

    Sarath Kumar, S. R.; Abutaha, Anas I.; Hedhili, Mohamed N.; Alshareef, Husam N.

    2012-01-01

    A detailed study of the role of oxygen vacancies in determining the effective mass and high temperature (300–1000 K) thermoelectricproperties of La-doped epitaxial SrTiO3 thin films is presented. It is observed that at intermediate temperatures, a transition from degenerate to non-degenerate behavior is observed in the Seebeck coefficient, but not electrical conductivity, which is attributed to heterogeneous oxygen non-stoichiometry. Heikes formula is found to be invalid for the films with oxygen vacancies. By fitting the spectroscopic ellipsometry (SE) data, obtained in the range 300–2100 nm, using a Drude-Lorentz dispersion relation with two Lorentz oscillators, the electrical and optical properties of the films are extracted. Using the excellent agreement between the transport properties extracted from SE modeling and direct electrical measurements, we demonstrate that an increase in concentration of oxygen vacancies results in a simultaneous increase of both carrier concentration and electron effective mass, resulting in a higher power factor.

  18. Effect of oxygen vacancy distribution on the thermoelectric properties of La-doped SrTiO3 epitaxial thin films

    KAUST Repository

    Sarath Kumar, S. R.

    2012-12-03

    A detailed study of the role of oxygen vacancies in determining the effective mass and high temperature (300–1000 K) thermoelectricproperties of La-doped epitaxial SrTiO3 thin films is presented. It is observed that at intermediate temperatures, a transition from degenerate to non-degenerate behavior is observed in the Seebeck coefficient, but not electrical conductivity, which is attributed to heterogeneous oxygen non-stoichiometry. Heikes formula is found to be invalid for the films with oxygen vacancies. By fitting the spectroscopic ellipsometry (SE) data, obtained in the range 300–2100 nm, using a Drude-Lorentz dispersion relation with two Lorentz oscillators, the electrical and optical properties of the films are extracted. Using the excellent agreement between the transport properties extracted from SE modeling and direct electrical measurements, we demonstrate that an increase in concentration of oxygen vacancies results in a simultaneous increase of both carrier concentration and electron effective mass, resulting in a higher power factor.

  19. Contributions of oxygen vacancies and titanium interstitials to band-gap states of reduced titania

    Science.gov (United States)

    Li, Jingfeng; Lazzari, Rémi; Chenot, Stéphane; Jupille, Jacques

    2018-01-01

    The spectroscopic fingerprints of the point defects of titanium dioxide remain highly controversial. Seemingly indisputable experiments lead to conflicting conclusions in which oxygen vacancies and titanium interstitials are alternately referred to as the primary origin of the Ti 3 d band-gap states. We report on experiments performed by electron energy loss spectroscopy whose key is the direct annealing of only the very surface of rutile TiO2(110 ) crystals and the simultaneous measurement of its temperature via the Bose-Einstein loss/gain ratio. By surface preparations involving reactions with oxygen and water vapor, in particular, under electron irradiation, vacancy- and interstitial-related band-gap states are singled out. Off-specular measurements reveal that both types of defects contribute to a unique charge distribution that peaks in subsurface layers with a common dispersive behavior.

  20. Roles of grain boundary and oxygen vacancies in Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3} films for resistive switching device application

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Xiaobing, E-mail: xiaobing-yan@126.com, E-mail: mseyanx@nus.edu.sg [Key Laboratory of Digital Medical Engineering of Hebei Province, College of Electron and Information Engineering, Hebei University, Baoding 071002 (China); Department of Materials Science and Engineering, National University of Singapore, Singapore, Singapore 117576 (Singapore); Li, Yucheng; Zhao, Jianhui; Li, Yan [Key Laboratory of Digital Medical Engineering of Hebei Province, College of Electron and Information Engineering, Hebei University, Baoding 071002 (China); Bai, Gang [College of Electronic Science and Engineering, Nanjing University of Posts and Telecommunications, Nanjing 210023 (China); Zhu, Siqi [Key Laboratory of Optoelectronic Information and Sensing Technologies of Guangdong Higher Education Institutes, Jinan University, Guangzhou 510632 (China)

    2016-01-18

    Oxygen vacancies are widely thought to be responsible for resistive switching (RS) effects based on polycrystalline oxides films. It is also well known that grain boundaries (GB) serve as reservoirs for accumulating oxygen vacancies. Here, Ar gas was introduced to enlarge the size of GB and increase the quantity of oxygen vacancies when the Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3} (BST) films were deposited by pulse laser deposition technique. The experimental results indicate that the RS properties of the device exhibits better in the Ar-introduced BST films than in the O{sub 2}-grown BST films. High resolution transmission electron microscopy images show that an amorphous region GB with large size appears between two lattice planes corresponding to oxygen vacancies defects in the Ar-introduced BST. Fourier-transform infrared reflectivity spectroscopy results also reveal highly accumulated oxygen vacancies in the Ar-introduced BST films. And we propose that the conduction transport of the cell was dominantly contributed from not ions migration of oxygen vacancies but the electrons in our case according to the value of activation energies of two kinds of films.

  1. Identification and quantification of oxygen vacancies in CeO{sub 2} nanocrystals and their role in formation of F-centers

    Energy Technology Data Exchange (ETDEWEB)

    Jaffari, G.Hassnain, E-mail: hassnain@qau.edu.pk [Department of Physics, Quaid-i-Azam University Islamabad (Pakistan); Imran, Ali [Department of Physics, Quaid-i-Azam University Islamabad (Pakistan); Bah, M. [Department of Materials Science and Engineering, University of Delaware, 19716, Newark, DE (United States); Ali, Awais; Bhatti, Arshad S. [Centre for Micro and Nano Devices, Department of Physics, COMSATS Institute of Information Technology, Park Road, Islamabad, 44000 (Pakistan); Qurashi, Umar Saeed [Department of Physics, Quaid-i-Azam University Islamabad (Pakistan); Ismat Shah, S. [Department of Materials Science and Engineering, University of Delaware, 19716, Newark, DE (United States); Department of Physics, University of Delaware, 19716, Newark, DE (United States)

    2017-02-28

    Highlights: • Detail crystal and electronic structural analysis was employed to quantify oxygen vacancies. • The Raman F{sub 2g} mode shifted towards lower wave number, exhibiting mode softening with broader and asymmetric peak. • Observation of absorption edge revealed presence of 4f band within the band gap. • PL emission studies revealed presence of F-centers with corresponding energy level located below 4f band. • Transitions associated by the F-center are mainly associated with 4f{sup 0} to 4f{sup 1}, F{sup ++} to 4f{sup 1} and 4f{sup 0} to F{sup +}. - Abstract: In this work we present synthesis and extensive characterization of Cerium oxide (CeO{sub 2}) nanocrystals. Comparison between the properties of as-prepared and air annealed nanoparticles has been carried out, with a goal to clearly identify the effect of oxygen vacancies on crystal, electronic and band structure. Detail crystal and electronic structural analysis was employed to quantify oxygen vacancies. Structural analysis confirmed that the formation of single phase cubic Fluorite structure for both as-prepared and annealed samples. Crystal and electronic structural studies confirmed that Ce ions exists in two oxidation states, Ce{sup +3} and Ce{sup +4}. Concentration of oxygen vacancies was larger in as-synthesis nanocrystal. A drastic decrease in oxygen vacancy concentration was observed for the sample annealed in air at 550 °C. For the as-prepared sample, the Raman allowed F{sub 2g} mode shifted towards lower wavenumber, exhibiting mode softening with broader and asymmetric peak. Observation of absorption edge revealed presence of 4f band within the band gap. Absorption with different band edge, confirmed different energy position of 4f level for the sample possessing oxygen vacancies. Blue shift of the band edge for as-prepared sample has been discussed in terms of increase in lattice parameter, formation of Ce{sup +3} ions, quantum confinement effect etc. Photoluminescence emission

  2. Bonding of gold nanoclusters to oxygen vacancies on rutile TiO2(110)

    DEFF Research Database (Denmark)

    Lopez, Nuria; schaub, R.; Thostrup, P.

    2003-01-01

    Through an interplay between scanning tunneling microscopy (STM) and density functional theory (DFT) calculations, we show that bridging oxygen vacancies are the active nucleation sites for Au clusters on the rutile TiO2(110) surface. We find that a direct correlation exists between a decrease in...

  3. Direct observation of hopping induced spin polarization current in oxygen deficient Co-doped ZnO by Andreev reflection technique

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Kung-Shang; Huang, Tzu-Yu; Dwivedi, G.D. [Department of Physics, National Sun Yat-sen University, Kaohsiung, Taiwan (China); Lin, Lu-Kuei; Lee, Shang-Fan [Taiwan Institute of Physics, Academia Sinica, Taipei, Taiwan (China); Sun, Shih-Jye [Department of Applied Physics, National Kaohsiung University, Kaohsiung, Taiwan (China); Chou, Hsiung, E-mail: hchou@mail.nsysu.edu.tw [Department of Physics, National Sun Yat-sen University, Kaohsiung, Taiwan (China)

    2017-07-01

    Highlights: • Co-doped ZnO thin-films were grown with varying V{sub O} concentartion. • PCAR measurements were done to study the SPC. • High spin polarization was observed above a certain V{sub O} concentartion. • High V{sub O} samples provide a high density of completed percolation path. • This complete percolation path gives rise to high SPC. - Abstract: Oxygen vacancy induced ferromagnetic coupling in diluted magnetic oxide (DMO) semiconductors have been reported in several studies, but technologically more crucial spin-polarized current (SPC) is still under-developed in DMOs. Few studies have claimed that VRH mechanism can originate the SPC, but, how VRH mechanism associated with percolation path, is not clearly understood. We used Point-contact Andreev reflection (PCAR) technique to probe the SPC in Co-doped ZnO (CZO) films. Since the high resistance samples cause broadening in conductance(G)-voltage(V) curves, which may result in an unreliable evaluation of spin polarization, we include two extra parameters, (i) effective temperature and (ii) spreading resistance, for the simulation to avoid the uncertainty in extracting spin polarization. The effective G-V curves and higher spin polarization can be obtained above a certain oxygen vacancy concentration. The number of completed and fragmentary percolation paths is proportional to the concentration of oxygen vacancies. For low oxygen vacancy samples, the Pb-tip has a higher probability of covering fragmentary percolation paths than the complete ones, due to its small contact size. The completed paths may remain independent of one another and get polarized in different directions, resulting in lower spin-polarization value. High oxygen vacancy samples provide a high density of completed path, most of them link to one another by crossing over, and gives rise to high spin-polarization value.

  4. Enhanced oxygen vacancy diffusion in Ta2O5 resistive memory devices due to infinitely adaptive crystal structure

    Science.gov (United States)

    Jiang, Hao; Stewart, Derek A.

    2016-04-01

    Metal oxide resistive memory devices based on Ta2O5 have demonstrated high switching speed, long endurance, and low set voltage. However, the physical origin of this improved performance is still unclear. Ta2O5 is an important archetype of a class of materials that possess an adaptive crystal structure that can respond easily to the presence of defects. Using first principles nudged elastic band calculations, we show that this adaptive crystal structure leads to low energy barriers for in-plane diffusion of oxygen vacancies in λ phase Ta2O5. Identified diffusion paths are associated with collective motion of neighboring atoms. The overall vacancy diffusion is anisotropic with higher diffusion barriers found for oxygen vacancy movement between Ta-O planes. Coupled with the fact that oxygen vacancy formation energy in Ta2O5 is relatively small, our calculated low diffusion barriers can help explain the low set voltage in Ta2O5 based resistive memory devices. Our work shows that other oxides with adaptive crystal structures could serve as potential candidates for resistive random access memory devices. We also discuss some general characteristics for ideal resistive RAM oxides that could be used in future computational material searches.

  5. Defective TiO2 with oxygen vacancies: synthesis, properties and photocatalytic applications

    Science.gov (United States)

    Pan, Xiaoyang; Yang, Min-Quan; Fu, Xianzhi; Zhang, Nan; Xu, Yi-Jun

    2013-04-01

    Titanium dioxide (TiO2), as an important semiconductor metal oxide, has been widely investigated in the field of photocatalysis. The properties of TiO2, including its light absorption, charge transport and surface adsorption, are closely related to its defect disorder, which in turn plays a significant role in the photocatalytic performance of TiO2. Among all the defects identified in TiO2, oxygen vacancy is one of the most important and is supposed to be the prevalent defect in many metal oxides, which has been widely investigated both by theoretical calculations and experimental characterizations. Here, we give a short review on the existing strategies for the synthesis of defective TiO2 with oxygen vacancies, and the defect related properties of TiO2 including structural, electronic, optical, dissociative adsorption and reductive properties, which are intimately related to the photocatalytic performance of TiO2. In particular, photocatalytic applications with regard to defective TiO2 are outlined. In addition, we offer some perspectives on the challenge and new direction for future research in this field. We hope that this tutorial minireview would provide some useful contribution to the future design and fabrication of defective semiconductor-based nanomaterials for diverse photocatalytic applications.Titanium dioxide (TiO2), as an important semiconductor metal oxide, has been widely investigated in the field of photocatalysis. The properties of TiO2, including its light absorption, charge transport and surface adsorption, are closely related to its defect disorder, which in turn plays a significant role in the photocatalytic performance of TiO2. Among all the defects identified in TiO2, oxygen vacancy is one of the most important and is supposed to be the prevalent defect in many metal oxides, which has been widely investigated both by theoretical calculations and experimental characterizations. Here, we give a short review on the existing strategies for the

  6. Using Dopants to Tune Oxygen Vacancy Formation in Transition Metal Oxide Resistive Memory.

    Science.gov (United States)

    Jiang, Hao; Stewart, Derek A

    2017-05-17

    Introducing dopants is an important way to tailor and improve electronic properties of transition metal oxides used as high-k dielectric thin films and resistance switching layers in leading memory technologies, such as dynamic and resistive random access memory (ReRAM). Ta 2 O 5 has recently received increasing interest because Ta 2 O 5 -based ReRAM demonstrates high switching speed, long endurance, and low operating voltage. However, advances in optimizing device characteristics with dopants have been hindered by limited and contradictory experiments in this field. We report on a systematic study on how various metal dopants affect oxygen vacancy formation in crystalline and amorphous Ta 2 O 5 from first principles. We find that isoelectronic dopants and weak n-type dopants have little impact on neutral vacancy formation energy and that p-type dopants can lower the formation energy significantly by introducing holes into the system. In contrast, n-type dopants have a deleterious effect and actually increase the formation energy for charged oxygen vacancies. Given the similar doping trend reported for other binary transition metal oxides, this doping trend should be universally valid for typical binary transition metal oxides. Based on this guideline, we propose that p-type dopants (Al, Hf, Zr, and Ti) can lower the forming/set voltage and improve retention properties of Ta 2 O 5 ReRAM.

  7. First-principles simulations of the leakage current in metal-oxide-semiconductor structures caused by oxygen vacancies in HfO2 high-K gate dielectric

    International Nuclear Information System (INIS)

    Mao, L.F.; Wang, Z.O.

    2008-01-01

    HfO 2 high-K gate dielectric has been used as a new gate dielectric in metal-oxide-semiconductor structures. First-principles simulations are used to study the effects of oxygen vacancies on the tunneling current through the oxide. A level which is nearly 1.25 eV from the bottom of the conduction band is introduced into the bandgap due to the oxygen vacancies. The tunneling current calculations show that the tunneling currents through the gate oxide with different defect density possess the typical characteristic of stress-induced leakage current. Further analysis shows that the location of oxygen vacancies will have a marked effect on the tunneling current. The largest increase in the tunneling current caused by oxygen vacancies comes about at the middle oxide field when defects are located at the middle of the oxide. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. Study of the movement of oxygen vacancies in the orthorhombic phase of YBa2Cu3O7-x by positron Doppler broadening spectroscopy

    International Nuclear Information System (INIS)

    Hong Zhang; Xiao-Gan Wang; Yao-Xian Fu

    1988-01-01

    The positron annihilation Doppler spectroscopy is used to monitor the movement of oxygen vacancy of YBa 2 Cu 3 O 7-x and an activation energy of (0.80 ± 0.10) eV for migration of oxygen vacancy in orthorhombic phase is obtained. (author)

  9. Defect chemistry modelling of oxygen-stoichiometry, vacancy concentrations, and conductivity of (La1-xSrx)(y)MnO3 +/-delta

    DEFF Research Database (Denmark)

    Poulsen, F.W.

    2000-01-01

    model, based on delocalised electrons, electron holes and all B-ions being trivalent is given in Appendix A. The sequential mathematical method allows us to calculate the high temperature oxygen partial pressure dependent properties of (La1-xSrx)(y)MnO3+/-delta in a unified manner irrespective...... are calculated by the small polaron model containing only ionic species - the B-ion may be Mn-B' (Mn2+), Mn-B(x) (Mn3+), and Mn-B(Mn4+). The A/B-ratio = y greatly influences the oxygen stoichiometry, oxygen ion vacancy- and cation vacancy concentrations and the total conductivity. Calculations are given...

  10. Oxygen vacancy and Moessbauer parameters of Fe doped tin oxides

    International Nuclear Information System (INIS)

    Nomura, K.; Mudarra Navarro, A.M.; Errico, L.; Rodriguez Torres, C.E.

    2013-01-01

    It is not clear what the local environment of Fe ions included in rutile structure is. In order to clarify this point, Moessbauer parameters of 57 Fe doped SnO 2 are compared with the results of ab initio calculation taking into account different configurations of iron and oxygen vacancy in the rutile structure of SnO 2 . Calculations were performed using the LAPW+lo method (Wien2k); RMT x Kmax = 7, A mesh of 50 k-points at IBZ, 2x2x2 super cell of SnO 2 . (J.P.N.)

  11. Mobility and stability of large vacancy and vacancy-copper clusters in iron: An atomistic kinetic Monte Carlo study

    Energy Technology Data Exchange (ETDEWEB)

    Castin, N., E-mail: ncastin@sckcen.be [Studiecentrum voor Kernenergie - Centre d' Etudes de l' energie Nucleaire (SCK-CEN), Nuclear Materials Science Institute, Unit Structural Materials Modelling and Microstructure-Boeretang 200, B2400 Mol (Belgium); Pascuet, M.I., E-mail: pascuet@cnea.gov.ar [Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET), Av. Rivadavia 1917, C1033AAJ Buenos Aires (Argentina); Malerba, L. [Studiecentrum voor Kernenergie - Centre d' Etudes de l' energie Nucleaire (SCK-CEN), Nuclear Materials Science Institute, Unit Structural Materials Modelling and Microstructure-Boeretang 200, B2400 Mol (Belgium)

    2012-10-15

    The formation of Cu-rich precipitates under irradiation is a major cause for changes in the mechanical response to load of reactor pressure vessel steels. In previous works, it has been shown that the mechanism under which precipitation occurs is governed by diffusion of vacancy-copper (VCu) complexes, also in the absence of irradiation. Coarse-grained computer models (such as object kinetic Monte Carlo) aimed at simulating irradiation processes in model alloys or steels should therefore explicitly include the mobility of Cu precipitates, as a consequence of vacancy hops at their surface. For this purpose, in this work we calculate diffusion coefficients and lifetimes for a large variety of VCu complexes. We use an innovative atomistic model, where vacancy migration energies are calculated with little approximations, taking into account all effects of static relaxation and long-range chemical interaction as predicted by an interatomic potential. Our results show that, contrary to what intuition might suggest, saturation in vacancies tend to slow down the transport of Cu atoms.

  12. Understanding cation ordering and oxygen vacancy site preference in Ba3CaNb2O9 from first-principles

    Science.gov (United States)

    Ding, Hepeng; Virkar, Anil; Liu, Feng

    2014-03-01

    We investigate the physical mechanism underlying the formation of the B-site cation ordering and the oxygen vacancy site selection in Ba3CaNb2O9 using density functional theory calculations. We found that either cation site exchange or oxygen vacancy formation induces negligible lattice strain. This implies that the ionic radius plays an insignificant role in governing these two processes. Furthermore, the electrostatic interactions are found dominant in the ordering of mixed valence species on one or more sites, the ionic bond strength is identified as the dominant force in governing both the 1:2 B-site cation ordering along the direction and the oxygen vacancy site preference in Ba3CaNb2O9. Specifically, the cation ordering can be rationalized by the increased mixing bonding energy of the Ca-O-Nb bonds over the Ca-O-Ca and Nb-O-Nb bonds, i.e., 1/2(Ca-O-Ca + Nb-O-Nb) Grant Number DE-SC0001061 as a flow through from the University of South Carolina.

  13. Oxygen vacancy induced magnetization switching in Fe{sub 3}O{sub 4} epitaxial ultrathin films on GaAs(100)

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Zhaocong, E-mail: zhaocong.huang@gmail.com [Department of Physics, Southeast University, Nanjing 211189 (China); Spintronics and Nanodevice Laboratory, Department of Electronics, University of York, York YO10 5DD (United Kingdom); School of Electronic Science and Engineering, Southeast University, Nanjing 210096 (China); Chen, Qian; Zhai, Ya, E-mail: yazhai@seu.edu.cn, E-mail: jlwang@seu.edu.cn; Wang, Jinlan, E-mail: yazhai@seu.edu.cn, E-mail: jlwang@seu.edu.cn [Department of Physics, Southeast University, Nanjing 211189 (China); Xu, Yongbing [Spintronics and Nanodevice Laboratory, Department of Electronics, University of York, York YO10 5DD (United Kingdom); Wang, Baoping [School of Electronic Science and Engineering, Southeast University, Nanjing 210096 (China)

    2015-05-04

    The magnetic and transport properties of half metallic Fe{sub 3}O{sub 4}, which are sensitive to the stoichiometry, are the key issue for applications in spintronics. An anomalous enlargement of the saturation magnetic moment is found in a relatively thick sample of epitaxial Fe{sub 3}O{sub 4} film by post-growth oxidation method. The investigation of the thickness dependence of magnetic moment suggests that the enhanced magnetism moment may come from the existence of oxygen vacancies. First-principles calculations reveal that with oxygen vacancies in Fe{sub 3}O{sub 4} crystal the spin of Fe ions in the tetrahedron site near the vacancy is much easier to switch parallel to the Fe ions in the octahedron site by temperature disturbance, supported by the temperature dependence of magnetic moment of Fe{sub 3}O{sub 4} films in experiment.

  14. Oxygen Vacancies versus Fluorine at CeO 2 (111) : A Case of Mistaken Identity?

    NARCIS (Netherlands)

    Kullgren, J.; Wolf, M.J.; Castleton, C.W.M.; Mitev, P.; Briels, Willem J.; Hermansson, K.

    2014-01-01

    We propose a resolution to the puzzle presented by the surface defects observed with STM at the (111) surface facet of CeO 2 single crystals. In the seminal paper of Esch et al. [Science 309, 752 (2005)] they were identified with oxygen vacancies, but the observed behavior of these defects is

  15. Oxygen vacancies induced enhancement of photoconductivity of La0.5Sr0.5CoO3 - δ thin film

    Science.gov (United States)

    Gao, R. L.; Fu, C. L.; Cai, W.; Chen, G.; Deng, X. L.; Yang, H. W.; Sun, J. R.; Zhao, Y. G.; Shen, B. G.

    2014-09-01

    Effects of light and electrical current on the electrical transport properties and photovoltaic properties of oxygen-stoichiometric La0.5Sr0.5CoO3 and oxygen-deficient La0.5Sr0.5CoO3 - δ films prepared by pulsed laser deposition have been investigated. Oxygen-deficient films annealed in a vacuum show an obvious increase of resistance and lattice parameter. Besides, a direct correlation between the magnitude of the photoconductivity and oxygen vacancies in La0.5Sr0.5CoO3 - δ films has been observed. The light illumination causes a resistance drop to show the photoconductivity effect. Moreover, the photoconductivity can be remarkably enhanced by increasing the electrical current, that is, it exhibits current-enhanced photoconductivity (CEPC) effect. Oxygen deficiency in the annealed film leads to the formation of a structural disorder in the Co-O-Co conduction channel due to the accumulated oxygen vacancies and hence is believed to be responsible for the increase in higher photoconductivity. These results may be important for practical applications in photoelectric devices.

  16. Oxygen vacancy tuned Ohmic-Schottky conversion for enhanced performance in β-Ga{sub 2}O{sub 3} solar-blind ultraviolet photodetectors

    Energy Technology Data Exchange (ETDEWEB)

    Guo, D. Y.; Wu, Z. P.; An, Y. H.; Guo, X. C.; Chu, X. L.; Sun, C. L.; Tang, W. H., E-mail: whtang@bupt.edu.cn [School of Science, Beijing University of Posts and Telecommunications, Beijing 100876 (China); State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Li, L. H. [Physics Department, The State University of New York at Potsdam, Potsdam, New York 13676-2294 (United States); Li, P. G., E-mail: pgli@zstu.edu.cn [School of Science, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Center for Optoelectronics Materials and Devices, Department of Physics, Zhejiang Sci-Tech University, Hangzhou, 310018 Zhejiang (China)

    2014-07-14

    β-Ga{sub 2}O{sub 3} epitaxial thin films were deposited using laser molecular beam epitaxy technique and oxygen atmosphere in situ annealed in order to reduce the oxygen vacancy. Metal/semiconductor/metal structured photodetectors were fabricated using as-grown film and annealed film separately. Au/Ti electrodes were Ohmic contact with the as-grown films and Schottky contact with the annealed films. In compare with the Ohmic-type photodetector, the Schottky-type photodetector takes on lower dark current, higher photoresponse, and shorter switching time, which benefit from Schottky barrier controlling electron transport and the quantity of photogenerated carriers trapped by oxygen vacancy significant decreasing.

  17. Oxygen vacancy induced by La and Fe into ZnO nanoparticles to modify ferromagnetic ordering

    International Nuclear Information System (INIS)

    Verma, Kuldeep Chand; Kotnala, R.K.

    2016-01-01

    We reported long-range ferromagnetic interactions in La doped Zn 0.95 Fe 0.05 O nanoparticles that mediated through lattice defects or vacancies. Zn 0.92 Fe 0.05 La 0.03 O (ZFLaO53) nanoparticles were synthesized by a sol–gel process. X-ray fluorescence spectrum of ZFLaO53 detects the weight percentage of Zn, Fe, La and O. X-ray diffraction shows the hexagonal Wurtzite ZnO phase. The Rietveld refinement has been used to calculate the lattice parameters and the position of Zn, Fe, La and O atoms in the Wurtzite unit cell. The average size of ZFLaO53 nanoparticles is 99 nm. The agglomeration type product due to OH ions with La results into ZnO nanoparticles than nanorods that found in pure ZnO and Zn 0.95 Fe 0.05 O sample. The effect of doping concentration to induce Wurtzite ZnO structure and lattice defects has been analyzed by Raman active vibrational modes. Photoluminescence spectra show an abnormal emission in both UV and visible region, and a blue shift at near band edge is formed with doping. The room temperature magnetic measurement result into weak ferromagnetism but pure ZnO is diamagnetic. However, the temperature dependent magnetic measurement using zero-field and field cooling at dc magnetizing field 500 Oe induces long-range ferromagnetic ordering. It results into antiferromagnetic Neel temperature of ZFLaO53 at around 42 K. The magnetic hysteresis is also measured at 200, 100, 50 and 10 K measurement that indicate enhancement in ferromagnetism at low temperature. Overall, the La doping into Zn 0.95 Fe 0.05 O results into enhanced antiferromagnetic interaction as well as lattice defects/vacancies. The role of the oxygen vacancy as the dominant defects in doped ZnO must form Bound magnetic polarons has been described. - Graphical abstract: The long-range ferromagnetic order in Zn 0.92 Fe 0.05 La 0.03 O nanoparticles at low temperature measurements involves oxygen vacancy as the medium of magnetic interactions. - Highlights: • The La and Fe doping

  18. Correlating oxygen vacancies and phase ratio/interface with efficient photocatalytic activity in mixed phase TiO2

    International Nuclear Information System (INIS)

    Verma, Ranjana; Samdarshi, S.K.

    2015-01-01

    Graphical abstract: The correlation of interfacial behavior and oxygen vacancies in mixed phase titania nanoparticles on their performance as photocatalyst has been investigated to explain the impact of photoactivity under UV and visible irradiation compared to pristine counterparts. The defects at the junction effectively reduce the band gap as well decrease the carrier recombination to enhance the photocatalytic activity. - Highlights: • Pristine and mixed phases (A/R ratio) TiO 2 synthesized by sol gel route. • Photoactivity variation has been correlated with the changes in the phase ratio. • Enhanced UV and visible activity attributable to oxygen vacancy present at the interface. • Role of A/R ratio and oxygen vacancy in the photoactivity of mixed TiO 2 depicted through a model. - Abstract: The photocatalytic activity is a result of the synergy of a succession of phenomena-photogeneration, separation, and participation of the charge carriers in redox reaction at the catalyst surface. While the extent of photogeneration is assessable in terms of absorption spectrum (band gap), the redox reaction can be correlated to specific surface area. However the respective change in the photocatalytic activity has not been rationally and consistently correlated with the above mentioned parameters. A satisfactory explanation of suppression of recombination based on separation of carriers due to differential mobility/diffusivity in the material phase(s) and/or intrinsic potential barrier exists but its correlation with common identifiable parameter/characteristics is still elusive. This paper attempts to address this issue by correlating the carrier separation with the phase ratio (phase interface) in mixed phase titania and generalizing it with the presence of oxygen vacancy at the phase interface. It essentially appears to complete the quest for identifiable parameters in the sequence of phenomena, which endow a photocatalyst with an efficient activity level. It has

  19. Simple method to enhance positive bias stress stability of In-Ga-Zn-O thin-film transistors using a vertically graded oxygen-vacancy active layer.

    Science.gov (United States)

    Park, Ji Hoon; Kim, Yeong-Gyu; Yoon, Seokhyun; Hong, Seonghwan; Kim, Hyun Jae

    2014-12-10

    We proposed a simple method to deposit a vertically graded oxygen-vacancy active layer (VGA) to enhance the positive bias stress (PBS) stability of amorphous indium gallium zinc oxide (a-IGZO) thin-film transistors (TFTs). We deposited a-IGZO films by sputtering (target composition; In2O3:Ga2O3:ZnO = 1:1:1 mol %), and the oxygen partial pressure was varied during deposition so that the front channel of the TFTs was fabricated with low oxygen partial pressure and the back channel with high oxygen partial pressure. Using this method, we were able to control the oxygen vacancy concentration of the active layer so that it varied with depth. As a result, the turn-on voltage shift following a 10 000 s PBS of optimized VGA TFT was drastically improved from 12.0 to 5.6 V compared with a conventional a-IGZO TFT, without a significant decrease in the field effect mobility. These results came from the self-passivation effect and decrease in oxygen-vacancy-related trap sites of the VGA TFTs.

  20. Periodic density functional theory study of ethylene hydrogenation over Co3O4 (1 1 1) surface: The critical role of oxygen vacancies

    International Nuclear Information System (INIS)

    Lu, Jinhui; Song, JiaJia; Niu, Hongling; Pan, Lun; Zhang, Xiangwen; Wang, Li; Zou, Ji-Jun

    2016-01-01

    Highlights: • H 2 dissociates in heterolytic way following H atoms migration to form O−H bond. • H 2 dissociation occurs at low temperature on perfect and oxygen defective Co 3 O 4 . • Oxygen vacancy promotes hydrogenation thermodynamically and kinetically. • O−H bond is weakened on oxygen defective surface. • Hydrogenation requires compromise between H−H activation and O−H breakage. - Abstract: Recently, metal oxides are attracting increasing interests as hydrogenation catalyst. Herein we studied the hydrogenation of ethylene on perfect and oxygen defective Co 3 O 4 (1 1 1) using periodic density functional theory. The energetics and pathways of ethylene hydrogenation to ethane were determined. We have demonstrated that (i) H 2 dissociation on Co 3 O 4 is a complicated two-step process through a heterolytic cleavage, followed by the migration of H atom and finally yields the homolytic product on both perfect and oxygen defective Co 3 O 4 (1 1 1) surfaces easily. (ii) After introducing the surface oxygen vacancy, the stepwise hydrogenation of ethylene by atomic hydrogen is much easier than that on perfect surface due to the weaker bond strength of OH group. The strength of O−H bond is a crucial factor for the hydrogenation reaction which involves the breakage of O−H bond. The formation of oxygen vacancy increases the electronic charges at the adjacent surface O, which reduces its capability of further gaining electrons from adsorbed atomic hydrogen and then weakens the strength of O−H bond. These results emphasize the importance of the oxygen vacancies for hydrogenation on metal oxides.

  1. A Facile Approach to Prepare Black TiO2 with Oxygen Vacancy for Enhancing Photocatalytic Activity

    Science.gov (United States)

    Chen, Shihao; Xiao, Yang; Hu, Zhengfa; Zhao, Hui; Xie, Wei

    2018-01-01

    Black TiO2 has triggered worldwide research interest due to its excellent photocatalytic properties. However, the understanding of its structure–property relationships and a more effective, facile and versatile method to produce it remain great challenges. We have developed a facile approach to synthesize black TiO2 nanoparticles with significantly improved light absorption in the visible and infrared regions. The experimental results show that oxygen vacancies are the major factors responsible for black coloration. More importantly, our black TiO2 nanoparticles have no Ti3+ ions. These oxygen vacancies could introduce localized states in the bandgap and act as trap centers, significantly decreasing the electron–hole recombination. The photocatalytic decomposition of both rhodamine B and methylene blue demonstrated that, under ultraviolet light irradiation, better photocatalytic performance is achieved with our black TiO2 nanoparticles than with commercial TiO2 nanoparticles. PMID:29659500

  2. Sn doped TiO{sub 2} nanotube with oxygen vacancy for highly efficient visible light photocatalysis

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jinliang; Xu, Xingtao [Engineering Research Center for Nanophotonics & Advanced Instrument, Ministry of Education, Shanghai Key Laboratory of Magnetic Resonance, School of Physics and Materials Science, Department of Physics, East China Normal University, Shanghai 200062 (China); Liu, Xinjuan [Institute of Coordination Bond Metrology and Engineering, College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Yu, Caiyan; Yan, Dong; Sun, Zhuo [Engineering Research Center for Nanophotonics & Advanced Instrument, Ministry of Education, Shanghai Key Laboratory of Magnetic Resonance, School of Physics and Materials Science, Department of Physics, East China Normal University, Shanghai 200062 (China); Pan, Likun, E-mail: lkpan@phy.ecnu.edu.cn [Engineering Research Center for Nanophotonics & Advanced Instrument, Ministry of Education, Shanghai Key Laboratory of Magnetic Resonance, School of Physics and Materials Science, Department of Physics, East China Normal University, Shanghai 200062 (China)

    2016-09-15

    Sn doped TiO{sub 2} nanotube with oxygen vacancy (V{sub o}-Sn−TiO{sub 2}) was successfully synthesized via a facile hydrothermal process and subsequent annealing in nitrogen atmosphere. The morphology, structure and photocatalytic performance of V{sub o}-Sn−TiO{sub 2} in the degradation of nitrobenzene were characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction, Raman spectroscopy, X-ray photoelectron spectroscopy, UV–vis absorption spectroscopy, nitrogen adsorption-desorption and electrochemical impedance spectra, respectively. The inner diameter, outer diameter and specific surface area of V{sub o}-Sn−TiO{sub 2} are about 5 nm, 15 nm and 235.54 m{sup 2} g{sup −1}, respectively. The experimental results show that the V{sub o}-Sn−TiO{sub 2} exhibits excellent photocatalytic performance with a maximum degradation rate of 92% in 300 min for nitrobenzene and 94% in 100 min for Rhodamine B and corresponding mineralization rates of 68% and 70% under visible light irradiation. The improved photocatalytic performance is ascribed to the enhanced light absorption and specific surface area as well as the reduced electron-hole pair recombination with the presence of oxygen vacancy and Sn doping in the TiO{sub 2} nanotube. - Highlights: • Photocatalysis is an environmental-friendly technology for nitrobenzene removal. • Sn doped TiO{sub 2} nanotube with oxygen vacancy is fabricated for the first time. • It exhibits excellent photocatalytic performance in degradation of nitrobenzene. • A high degradation rate of 92% is achieved under visible light irradiation.

  3. Ultrathin FeOOH nanolayers with abundant oxygen vacancies on BiVO{sub 4} photoanodes for efficient water oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Beibei [State Key Laboratory for Oxo Synthesis and Selective Oxidation, National Engineering Research Center for Fine Petrochemical Intermediates, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou (China); State Key Laboratory of Applied Organic Chemistry, Key Laboratory of Nonferrous Metals Chemistry and Resources Utilization of Gansu Province, and College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou (China); Wang, Lei; Zhang, Yajun; Bi, Yingpu [State Key Laboratory for Oxo Synthesis and Selective Oxidation, National Engineering Research Center for Fine Petrochemical Intermediates, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou (China); Ding, Yong [State Key Laboratory of Applied Organic Chemistry, Key Laboratory of Nonferrous Metals Chemistry and Resources Utilization of Gansu Province, and College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou (China)

    2018-02-19

    Photoelectrochemical (PEC) water splitting is a promising method for storing solar energy in the form of hydrogen fuel, but it is greatly hindered by the sluggish kinetics of the oxygen evolution reaction (OER). Herein, a facile solution impregnation method is developed for growing ultrathin (2 nm) highly crystalline β-FeOOH nanolayers with abundant oxygen vacancies on BiVO{sub 4} photoanodes. These exhibited a remarkable photocurrent density of 4.3 mA cm{sup -2} at 1.23 V (vs. reversible hydrogen electrode (RHE), AM 1.5 G), which is approximately two times higher than that of amorphous FeOOH fabricated by electrodeposition. Systematic studies reveal that the excellent PEC activity should be attributed to their ultrathin crystalline structure and abundant oxygen vacancies, which could effectively facilitate the hole transport/trapping and provide more active sites for water oxidation. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  4. Periodic density functional theory study of ethylene hydrogenation over Co3O4 (1 1 1) surface: The critical role of oxygen vacancies

    Science.gov (United States)

    Lu, Jinhui; Song, JiaJia; Niu, Hongling; Pan, Lun; Zhang, Xiangwen; Wang, Li; Zou, Ji-Jun

    2016-05-01

    Recently, metal oxides are attracting increasing interests as hydrogenation catalyst. Herein we studied the hydrogenation of ethylene on perfect and oxygen defective Co3O4 (1 1 1) using periodic density functional theory. The energetics and pathways of ethylene hydrogenation to ethane were determined. We have demonstrated that (i) H2 dissociation on Co3O4 is a complicated two-step process through a heterolytic cleavage, followed by the migration of H atom and finally yields the homolytic product on both perfect and oxygen defective Co3O4 (1 1 1) surfaces easily. (ii) After introducing the surface oxygen vacancy, the stepwise hydrogenation of ethylene by atomic hydrogen is much easier than that on perfect surface due to the weaker bond strength of OH group. The strength of Osbnd H bond is a crucial factor for the hydrogenation reaction which involves the breakage of Osbnd H bond. The formation of oxygen vacancy increases the electronic charges at the adjacent surface O, which reduces its capability of further gaining electrons from adsorbed atomic hydrogen and then weakens the strength of Osbnd H bond. These results emphasize the importance of the oxygen vacancies for hydrogenation on metal oxides.

  5. A vacancy-modulated self-selective resistive switching memory with pronounced nonlinear behavior

    Science.gov (United States)

    Ma, Haili; Feng, Jie; Gao, Tian; Zhu, Xi

    2017-12-01

    In this study, we report a self-selective (nonlinear) resistive switching memory cell, with high on-state half-bias nonlinearity of 650, sub-μA operating current, and high On/Off ratios above 100×. Regarding the cell structure, a thermal oxidized HfO x layer in combination with a sputtered Ta2O5 layer was configured as an active stack, with Pt and Hf as top and bottom electrodes, respectively. The Ta2O5 acts as a selective layer as well as a series resistor, which could make the resistive switching happened in HfO x layer. Through the analysis of the physicochemical properties and electrical conduction mechanisms at each state, a vacancy-modulated resistance switching model was proposed to explain the switching behavior. The conductivity of HfO x layer was changed by polarity-dependent drift of the oxygen vacancy ( V o), resulting in an electron hopping distance change during switching. With the help of Ta2O5 selective layer, high nonlinearity observed in low resistance state. The proposed material stack shows a promising prospect to act as a self-selective cell for 3D vertical RRAM application.

  6. Hydroxyl-dependent Evolution of Oxygen Vacancies Enables the Regeneration of BiOCl photocatalyst

    KAUST Repository

    Wu, Sujuan

    2017-05-02

    Photoinduced oxygen vacancies (OVs) are widely investigated as a vital point defect in wide-band-gap semiconductors. Still, the formation mechanism of OVs remains unclear in various materials. To elucidate the formation mechanism of photoinduced OVs in bismuth oxychloride (BiOCl), we synthesized two surface hydroxyl discrete samples in light of the discovery of the significant variance of hydroxyl groups before and after UV light exposure. It is noted that OVs can be obtained easily after UV light irradiation in the sample with surface hydroxyl groups, while variable changes were observed in samples without surface hydroxyls. Density functional theory (DFT) calculations reveal that the binding energy of Bi-O is drastically influenced by surficial hydroxyl groups, which is intensely correlated to the formation of photoinduced OVs. Moreover, DFT calculations reveal that the adsorbed water molecules are energetically favored to dissociate into separate hydroxyl groups at the OV sites via proton transfer to a neighboring bridging oxygen atom, forming two bridging hydroxyl groups per initial oxygen vacancy. This result is consistent with the experimental observation that the disappearance of photoinduced OVs and the recovery of hydroxyl groups on the surface of BiOCl after exposed to a H2O(g)-rich atmosphere, and finally enables the regeneration of BiOCl photocatalyst. Here, we introduce new insights that the evolution of photoinduced OVs is dependent on surface hydroxyl groups, which will lead to the regeneration of active sites in semiconductors. This work is useful for controllable designs of defective semiconductors for applications in photocatalysis and photovoltaics.

  7. Unraveling the facet-dependent and oxygen vacancy role for ethylene hydrogenation on Co_3O_4 (110) surface: A DFT+U study

    International Nuclear Information System (INIS)

    Zhang, Yong-Chao; Pan, Lun; Lu, Jinhui; Song, Jiajia; Li, Zheng; Zhang, Xiangwen; Wang, Li; Zou, Ji-Jun

    2017-01-01

    Highlights: • The mechanism of ethylene hydrogenation on perfect and oxygen defective Co_3O_4(110) is investigated by using DFT + U. • Oxygen vacancy promotes ethylene hydrogenation thermodynamically and kinetically. • The Co3O4 (110) facet is more active than the (111) one for ethylene hydrogenation. - Abstract: Crystal facet engineering and defect engineering are both critical strategies to improve the catalytic hydrogenation performance of catalyst. Herein, ethylene hydrogenation on the perfect and oxygen defective Co_3O_4(110) surfaces has been studied by using periodic density functional theory calculations. The results are compared with that on Co_3O_4(111) surface to clarify the problem of which facet for Co_3O_4 is more reactive, and to illuminate the role of oxygen vacancy. The low oxygen vacancy formation energy suggests that Co_3O_4(110) surface with defective site is easily formed. The whole mechanism of H_2 dissociation and stepwise hydrogenation of ethylene to ethane is examined, and the most favorable pathway is heterolytic dissociation of H_2 follows two stepwise hydrogenation of ethylene process. The results show that ethyl hydrogenation to ethane on perfect Co_3O_4(110) surface is the rate limiting step with an activation energy of 1.19 eV, and the presence of oxygen vacancy strongly reduces the activation energies of main elementary steps, and the activation energy of rate limiting step is only 0.47 eV. Compared with that on Co_3O_4(111), ethylene hydrogenation is preferred on Co_3O_4(110) surface. Therefore, Co_3O_4 with exposed (110) facet is predicted as an excellent catalyst for ethylene hydrogenation.

  8. First-principles calculation on oxygen ion migration in alkaline-earth doped La2GeO5

    International Nuclear Information System (INIS)

    Thuy Linh, Tran Phan; Sakaue, Mamoru; Aspera, Susan Meñez; Alaydrus, Musa; Wungu, Triati Dewi Kencana; Hoang Linh, Nguyen; Kasai, Hideaki; Mohri, Takahiro; Ishihara, Tatsumi

    2014-01-01

    By using first-principles calculations based on the density functional theory, we investigated the doping effects of alkaline-earth metals (Ba, Sr and Ca) in monoclinic lanthanum germanate La 2 GeO 5 on its oxygen ion conduction. Although the lattice parameters of the doped systems changed due to the ionic radii mismatch, the crystal structures remained monoclinic. The contribution of each atomic orbital to electronic densities of states was evaluated from the partial densities of states and partial charge densities. It was confirmed that the materials behaved as ionic crystals comprising of cations of La and dopants and anions of oxygen and covalently formed GeO 4 . The doping effect on the activation barrier for oxygen hopping to the most stable oxygen vacancy site was investigated by the climbing-image nudged elastic band method. By tracing the charge density change during the hopping, it was confirmed that the oxygen motion is governed by covalent interactions. The obtained activation barriers showed excellent quantitative agreements with an experiment for the Ca- and Sr-doped systems in low temperatures as well as the qualitative trend, including the Ba-doped system. (paper)

  9. Nitrogen diffusion in hafnia and the impact of nitridation on oxygen and hydrogen diffusion: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Sathiyanarayanan, Rajesh, E-mail: rajessat@in.ibm.com, E-mail: rajesh.sathiyanarayanan@gmail.com; Pandey, R. K.; Murali, K. V. R. M. [IBM Semiconductor Research and Development Center, Bangalore 560045 (India)

    2015-01-21

    Using first-principles simulations, we have computed incorporation energies and diffusion barriers of ammonia, the nitrogen molecule and atomic nitrogen in monoclinic hafnia (m-HfO{sub 2}). Our calculations show that ammonia is likely to dissociate into an NH{sub 2} molecular unit, whereas the nitrogen molecule remains as a molecule either in the interstitial space or at an oxygen lattice site. The lowest energy pathway for the diffusion of atomic nitrogen interstitials consists of the hopping of the nitrogen interstitial between neighboring three-coordinated lattice oxygen atoms that share a single Hf atom, and the barrier for such hops is determined by a switching mechanism. The substitutional nitrogen atom shows a preference for diffusion through the doubly positive oxygen vacancy-mediated mechanism. Furthermore, we have investigated the impact of nitrogen atoms on the diffusion barriers of oxygen and hydrogen interstitials in m-HfO{sub 2}. Our results show that nitrogen incorporation has a significant impact on the barriers for oxygen and hydrogen diffusion: nitrogen atoms attract oxygen and hydrogen interstitials diffusing in the vicinity, thereby slowing down (reducing) their diffusion (diffusion length)

  10. A quantum-chemical study of oxygen-vacancy defects in PbTiO3 crystals

    International Nuclear Information System (INIS)

    Stashans, Arvids; Serrano, Sheyla; Medina, Paul

    2006-01-01

    Investigation of an oxygen vacancy and F center in the cubic and tetragonal lattices of PbTiO 3 crystals is done by means of quantum-chemical simulations. Displacements of defect-surrounding atoms, electronic and optical properties, lattice relaxation energies and some new effects due to the defects presence are reported and analyzed. A comparison with similar studies is made and conclusions are drawn on the basis of the obtained results

  11. The modulation of oxygen vacancies by the combined current effect and temperature cycling in La0.7Sr0.3CoO3 film

    Science.gov (United States)

    Li, J.; Wang, J.; Kuang, H.; Zhao, Y. Y.; Qiao, K. M.; Liu, Y.; Hu, F. X.; Sun, J. R.; Shen, B. G.

    2018-05-01

    Modulating the oxygen defect concentration has been accepted as an effective method to obtain high catalytic activity in perovskite cobaltites. However, controllably modifying the oxygen vacancy is still a challenge in this type of materials, which strongly obstructs their application. Here, we report a successful oxygen vacancies modulation in the La0.7Sr0.3CoO3 (LSCO) film by using combined current effect and temperature cycling. The temperature dependent transport properties of the LSCO/LAO film were investigated. The results revealed that the resistance of the film keeps increasing under the repeated measurements. It was found that the accumulation of the oxygen vacancy by current effect transforms the Co4+ ion into Co3+ ion, which results in the enhancement of the resistance and thus the transport switching behavior. Moreover, the resistance in the cooling process was found to be much higher than that in previous cooling and heating processes, which indicates that the oxygen escapes more quickly in the high temperature region. On the other hand, our analysis indicates that the CoO6 distortion may contribute to the switching of transport behaviors in the low temperature region. Our work provides an effective and controllable way to modulate oxygen defect in the perovskite-type oxides.

  12. Introduction of oxygen vacancies and fluorine into TiO2 nanoparticles by co-milling with PTFE

    International Nuclear Information System (INIS)

    Senna, Mamoru; Šepelák, Vladimir; Shi, Jianmin; Bauer, Benjamin; Feldhoff, Armin; Laporte, Vincent; Becker, Klaus-Dieter

    2012-01-01

    Solid-state processes of introducing oxygen vacancies and transference of fluorine to n-TiO 2 nanoparticles by co-milling with poly(tetrafluoroethylene) (PTFE) powder were examined by diffuse reflectance spectroscopy (DRS) of UV, visual, near- and mid-IR regions, thermal analyses (TG-DTA), energy-dispersive X-ray spectroscopy (EDXS), X-ray photoelectron spectroscopy (XPS), high-resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD). The broad absorption peak at around 8800 cm −1 (1140 nm) was attributed to the change in the electronic states, viz. electrons trapped at the oxygen vacancies (Vo) and d–d transitions of titanium ions. Incorporation of fluorine into n-TiO 2 was concentrated at the near surface region and amounted to ca. 40 at% of the total fluorine in PTFE, after co-milling for 3 h, as confirmed by the F1s XPS spectrum. The overall atomic ratio, F/Ti, determined by EDXS was 0.294. By combining these analytical results, a mechanism of the present solid state processes at the boundary between PTFE and n-TiO 2 was proposed. The entire process is triggered by the partial oxidative decomposition of PTFE. This is accompanied by the abstraction of oxygen atoms from the n-TiO 2 lattices. Loss of the oxygen atoms results in the formation of the diverse states of locally distorted coordination units of titania, i.e. TiO 6−n Vo n , located at the near surface region. This leads subsequent partial ligand exchange between F and O, to incorporate fluorine preferentially to the near surface region of n-TiO 2 particles, where local non-crystalline states predominate. - Graphical abstract: Scheme of the reaction processes: (a) pristine mixture, (b) oxygen abstraction from TiO 2 and (c) fluorine migration from PTFE to TiO 2 . Highlights: Transfer of fluorine from PTFE to n-TiO 2 in a dry solid state process was confirmed. ► 40% of F in PTFE was incorporated to the near surface region of n-TiO 2 nanoparticles. ► The transfer process is

  13. Photocatalytic Conversion of Nitrogen to Ammonia with Water on Surface Oxygen Vacancies of Titanium Dioxide.

    Science.gov (United States)

    Hirakawa, Hiroaki; Hashimoto, Masaki; Shiraishi, Yasuhiro; Hirai, Takayuki

    2017-08-09

    Ammonia (NH 3 ) is an essential chemical in modern society. It is currently manufactured by the Haber-Bosch process using H 2 and N 2 under extremely high-pressure (>200 bar) and high-temperature (>673 K) conditions. Photocatalytic NH 3 production from water and N 2 at atmospheric pressure and room temperature is ideal. Several semiconductor photocatalysts have been proposed, but all suffer from low efficiency. Here we report that a commercially available TiO 2 with a large number of surface oxygen vacancies, when photoirradiated by UV light in pure water with N 2 , successfully produces NH 3 . The active sites for N 2 reduction are the Ti 3+ species on the oxygen vacancies. These species act as adsorption sites for N 2 and trapping sites for the photoformed conduction band electrons. These properties therefore promote efficient reduction of N 2 to NH 3 . The solar-to-chemical energy conversion efficiency is 0.02%, which is the highest efficiency among the early reported photocatalytic systems. This noble-metal-free TiO 2 system therefore shows a potential as a new artificial photosynthesis for green NH 3 production.

  14. The dynamics of ultraviolet-induced oxygen vacancy at the surface of insulating SrTiO_3(0 0 1)

    International Nuclear Information System (INIS)

    Suwanwong, S.; Eknapakul, T.; Rattanachai, Y.; Masingboon, C.; Rattanasuporn, S.; Phatthanakun, R.; Nakajima, H.; King, P.D.C.; Hodak, S.K.; Meevasana, W.

    2015-01-01

    Highlights: • The dynamics of UV-induced oxygen vacancy is studied from the change of surface resistance. • The formation of 2DEG at the insulating surface of SrTiO_3 is confirmed by ARPES. • The UV-induced change in resistance responds differently to oxygen/gas exposure. • The behavior of resistance recovery suggests an alternative method of low-pressure sensing. - Abstract: The effect of ultra-violet (UV) irradiation on the electronic structure and the surface resistance of an insulating SrTiO_3(0 0 1) crystal is studied in this work. Upon UV irradiation, we show that the two-dimensional electron gas (2DEG) emerges at the insulating SrTiO_3 surface and there is a pronounced change in the surface resistance. By combining the observations of the change in valance band and the resistance change under different environments of gas pressure and gas species, we find that UV-induced oxygen vacancies at the surface plays a major role in the resistance change. The dynamic of the resistance change at different oxygen pressures also suggests an alternative method of low-pressure sensing.

  15. Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO{sub 3}-buffered ferroelectric BaTiO{sub 3} film on GaAs

    Energy Technology Data Exchange (ETDEWEB)

    Qiao, Qiao [Department of Physics, University of Illinois at Chicago, Chicago, Illinois 60607 (United States); Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37240 (United States); Materials Science and Technology Department, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Zhang, Yuyang [Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37240 (United States); Materials Science and Technology Department, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Contreras-Guerrero, Rocio; Droopad, Ravi [Ingram School of Engineering, Texas State University, San Marcos, Texas 78666 (United States); Pantelides, Sokrates T. [Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37240 (United States); Materials Science and Technology Department, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Department of Electrical Engineering and Computer Science, Vanderbilt University, Nashville, Tennessee 37240 (United States); Pennycook, Stephen J. [Department of Materials Science and Engineering, National University of Singapore, Singapore 117575 (Singapore); Ogut, Serdar; Klie, Robert F. [Department of Physics, University of Illinois at Chicago, Chicago, Illinois 60607 (United States)

    2015-11-16

    The integration of functional oxide thin-films on compound semiconductors can lead to a class of reconfigurable spin-based optoelectronic devices if defect-free, fully reversible active layers are stabilized. However, previous first-principles calculations predicted that SrTiO{sub 3} thin films grown on Si exhibit pinned ferroelectric behavior that is not switchable, due to the presence of interfacial vacancies. Meanwhile, piezoresponse force microscopy measurements have demonstrated ferroelectricity in BaTiO{sub 3} grown on semiconductor substrates. The presence of interfacial oxygen vacancies in such complex-oxide/semiconductor systems remains unexplored, and their effect on ferroelectricity is controversial. Here, we use a combination of aberration-corrected scanning transmission electron microscopy and first-principles density functional theory modeling to examine the role of interfacial oxygen vacancies on the ferroelectric polarization of a BaTiO{sub 3} thin film grown on GaAs. We demonstrate that interfacial oxygen vacancies enhance the polar discontinuity (and thus the single domain, out-of-plane polarization pinning in BaTiO{sub 3}), and propose that the presence of surface charge screening allows the formation of switchable domains.

  16. Oxygen vacancy effect on photoluminescence of KNb3O8 nanosheets

    Science.gov (United States)

    Li, Rui; Liu, Liying; Ming, Bangming; Ji, Yuhang; Wang, Ruzhi

    2018-05-01

    Fungus-like potassium niobate (KNb3O8) nanosheets have been synthesized on indium-doped tin oxide (ITO) glass substrates by a simple and environmental friendly two-step hydrothermal process. The prepared samples have been characterized by using X-ray Diffraction (XRD), Field Emission Scanning Electron Microscope (FESEM), High Resolution Transmission Electron Microscope (HRTEM), Fourier Transform Infra-Red Spectroscopy (FTIR), Raman Spectroscopy and X-ray Photoelectron Spectroscopy (XPS). Furthermore, the photoluminescence (PL) of KNb3O8 nanosheets have been systematically studied. The results showed that the PL spectrum is between 300 and 645 nm with a 325 nm light excitation, which is divided into some sub-peaks. It is different from the perfect KNb3O8 nanosheets whose PL emission peaks located at near 433 nm. It should be originated from the effect of the oxygen (O) vacancies in the KNb3O8 nanosheets, which the PLs peaks can be found at about 490 nm and 530 nm by different position of O vacancy. The experimental results are in accordance with the first-principles calculations. Our results may present a feasible clue to estimate the defect position in KNb3O8 by the shape analysis of its spectrum of PLs.

  17. Simultaneous modulation of surface composition, oxygen vacancies and assembly in hierarchical Co3O4 mesoporous nanostructures for lithium storage and electrocatalytic oxygen evolution

    DEFF Research Database (Denmark)

    Sun, Hongyu; Zhao, Yanyan; Mølhave, Kristian

    2017-01-01

    in superior electrochemical properties when used as the anode materials for lithium-ion batteries and as an electrocatalyst for the oxygen evolution reaction. The excellent electrochemical performance is attributed to the synergistic effects of novel hierarchical morphology, crystal structure of the active...... materials, the improvement of intrinsic conductivity and inner surface area induced by the oxygen vacancies. The present strategy not only provides a facile method to assemble novel hierarchical architectures, but also paves a way to control surface structures (chemical composition and crystal defects...

  18. Unraveling the facet-dependent and oxygen vacancy role for ethylene hydrogenation on Co{sub 3}O{sub 4} (110) surface: A DFT+U study

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yong-Chao; Pan, Lun; Lu, Jinhui; Song, Jiajia; Li, Zheng; Zhang, Xiangwen; Wang, Li [Key Laboratory for Green Chemical Technology of the Ministry of Education, School of Chemical Engineering and Technology, Tianjin University (China); Collaborative Innovative Center of Chemical Science and Engineering (Tianjin), Tianjin 300072 (China); Zou, Ji-Jun, E-mail: jj_zou@tju.edu.cn [Key Laboratory for Green Chemical Technology of the Ministry of Education, School of Chemical Engineering and Technology, Tianjin University (China); Collaborative Innovative Center of Chemical Science and Engineering (Tianjin), Tianjin 300072 (China)

    2017-04-15

    Highlights: • The mechanism of ethylene hydrogenation on perfect and oxygen defective Co{sub 3}O{sub 4}(110) is investigated by using DFT + U. • Oxygen vacancy promotes ethylene hydrogenation thermodynamically and kinetically. • The Co3O4 (110) facet is more active than the (111) one for ethylene hydrogenation. - Abstract: Crystal facet engineering and defect engineering are both critical strategies to improve the catalytic hydrogenation performance of catalyst. Herein, ethylene hydrogenation on the perfect and oxygen defective Co{sub 3}O{sub 4}(110) surfaces has been studied by using periodic density functional theory calculations. The results are compared with that on Co{sub 3}O{sub 4}(111) surface to clarify the problem of which facet for Co{sub 3}O{sub 4} is more reactive, and to illuminate the role of oxygen vacancy. The low oxygen vacancy formation energy suggests that Co{sub 3}O{sub 4}(110) surface with defective site is easily formed. The whole mechanism of H{sub 2} dissociation and stepwise hydrogenation of ethylene to ethane is examined, and the most favorable pathway is heterolytic dissociation of H{sub 2} follows two stepwise hydrogenation of ethylene process. The results show that ethyl hydrogenation to ethane on perfect Co{sub 3}O{sub 4}(110) surface is the rate limiting step with an activation energy of 1.19 eV, and the presence of oxygen vacancy strongly reduces the activation energies of main elementary steps, and the activation energy of rate limiting step is only 0.47 eV. Compared with that on Co{sub 3}O{sub 4}(111), ethylene hydrogenation is preferred on Co{sub 3}O{sub 4}(110) surface. Therefore, Co{sub 3}O{sub 4} with exposed (110) facet is predicted as an excellent catalyst for ethylene hydrogenation.

  19. Oxygen-Vacancy Abundant Ultrafine Co3O4/Graphene Composites for High-Rate Supercapacitor Electrodes.

    Science.gov (United States)

    Yang, Shuhua; Liu, Yuanyue; Hao, Yufeng; Yang, Xiaopeng; Goddard, William A; Zhang, Xiao Li; Cao, Bingqiang

    2018-04-01

    The metal oxides/graphene composites are one of the most promising supercapacitors (SCs) electrode materials. However, rational synthesis of such electrode materials with controllable conductivity and electrochemical activity is the topical challenge for high-performance SCs. Here, the Co 3 O 4 /graphene composite is taken as a typical example and develops a novel/universal one-step laser irradiation method that overcomes all these challenges and obtains the oxygen-vacancy abundant ultrafine Co 3 O 4 nanoparticles/graphene (UCNG) composites with high SCs performance. First-principles calculations show that the surface oxygen vacancies can facilitate the electrochemical charge transfer by creating midgap electronic states. The specific capacitance of the UCNG electrode reaches 978.1 F g -1 (135.8 mA h g -1 ) at the current densities of 1 A g -1 and retains a high capacitance retention of 916.5 F g -1 (127.3 mA h g -1 ) even at current density up to 10 A g -1 , showing remarkable rate capability (more than 93.7% capacitance retention). Additionally, 99.3% of the initial capacitance is maintained after consecutive 20 000 cycles, demonstrating enhanced cycling stability. Moreover, this proposed laser-assisted growth strategy is demonstrated to be universal for other metal oxide/graphene composites with tuned electrical conductivity and electrochemical activity.

  20. Efficient Visible Light Nitrogen Fixation with BiOBr Nanosheets of Oxygen Vacancies on the Exposed {001} Facets.

    Science.gov (United States)

    Li, Hao; Shang, Jian; Ai, Zhihui; Zhang, Lizhi

    2015-05-20

    Even though the well-established Haber-Bosch process has been the major artificial way to "fertilize" the earth, its energy-intensive nature has been motivating people to learn from nitrogenase, which can fix atmospheric N2 to NH3 in vivo under mild conditions with its precisely arranged proteins. Here we demonstrate that efficient fixation of N2 to NH3 can proceed under room temperature and atmospheric pressure in water using visible light illuminated BiOBr nanosheets of oxygen vacancies in the absence of any organic scavengers and precious-metal cocatalysts. The designed catalytic oxygen vacancies of BiOBr nanosheets on the exposed {001} facets, with the availability of localized electrons for π-back-donation, have the ability to activate the adsorbed N2, which can thus be efficiently reduced to NH3 by the interfacial electrons transferred from the excited BiOBr nanosheets. This study might open up a new vista to fix atmospheric N2 to NH3 through the less energy-demanding photochemical process.

  1. Decrease of oxygen vacancy by Zn-doped for improving solar-blind photoelectric performance in β-Ga2O3 thin films

    Science.gov (United States)

    Guo, Daoyou; Qin, Xinyuan; Lv, Ming; Shi, Haoze; Su, Yuanli; Yao, Guosheng; Wang, Shunli; Li, Chaorong; Li, Peigang; Tang, Weihua

    2017-11-01

    Highly (201) oriented Zn-doped β-Ga2O3 thin films with different dopant concentrations were grown on (0001) sapphire substrates by radio frequency magnetron sputtering. With the increase of Zn dopant concentration, the crystal lattice expands, the energy band gap shrinks, and the oxygen vacancy concentration decreases. Both the metal semiconductor metal (MSM) structure photodetectors based on the pure and Zn-doped β-Ga2O3 thin films exhibit solar blind UV photoelectric property. Compared to the pure β-Ga2O3 photodetector, the Zn-doped one exhibits a lower dark current, a higher photo/dark current ratio, a faster photoresponse speed, which can be attributed to the decreases of oxygen vacancy concentration.[Figure not available: see fulltext.

  2. The dynamics of ultraviolet-induced oxygen vacancy at the surface of insulating SrTiO{sub 3}(0 0 1)

    Energy Technology Data Exchange (ETDEWEB)

    Suwanwong, S. [School of Physics, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand); Program in General Science Teaching, Faculty of Education, Vongchavalitkul University, Nakhon Ratchasima 30000 (Thailand); Eknapakul, T. [School of Physics, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand); Rattanachai, Y. [Department of Applied Physics, Faculty of Sciences and Liberal Arts, Rajamangala University of Technology Isan, Nakhon Ratchasima 30000 (Thailand); Masingboon, C. [School of Physics, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand); Faculty of Science and Engineering, Kasetsart University, Chalermphrakiat Sakon Nakhon Province Campus, Sakon Nakhon 47000 (Thailand); Rattanasuporn, S.; Phatthanakun, R.; Nakajima, H. [Synchrotron Light Research Institute, Nakhon Ratchasima 30000 (Thailand); King, P.D.C. [SUPA, School of Physics and Astronomy, University of St. Andrews, St. Andrews, Fife KY16 9SS (United Kingdom); Hodak, S.K. [Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Meevasana, W., E-mail: worawat@g.sut.ac.th [School of Physics, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand); NANOTEC-SUT Center of Excellence on Advanced Functional Nanomaterials, Suranaree University of Technology, Nakhon Ratchasima 30000 (Thailand); Thailand Center of Excellence in Physics, CHE, Bangkok 10400 (Thailand)

    2015-11-15

    Highlights: • The dynamics of UV-induced oxygen vacancy is studied from the change of surface resistance. • The formation of 2DEG at the insulating surface of SrTiO{sub 3} is confirmed by ARPES. • The UV-induced change in resistance responds differently to oxygen/gas exposure. • The behavior of resistance recovery suggests an alternative method of low-pressure sensing. - Abstract: The effect of ultra-violet (UV) irradiation on the electronic structure and the surface resistance of an insulating SrTiO{sub 3}(0 0 1) crystal is studied in this work. Upon UV irradiation, we show that the two-dimensional electron gas (2DEG) emerges at the insulating SrTiO{sub 3} surface and there is a pronounced change in the surface resistance. By combining the observations of the change in valance band and the resistance change under different environments of gas pressure and gas species, we find that UV-induced oxygen vacancies at the surface plays a major role in the resistance change. The dynamic of the resistance change at different oxygen pressures also suggests an alternative method of low-pressure sensing.

  3. A quantum-chemical study of oxygen-vacancy defects in PbTiO{sub 3} crystals

    Energy Technology Data Exchange (ETDEWEB)

    Stashans, Arvids [Laboratorio de Fisica, Escuela de Electronica y Telecomunicaciones, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)]. E-mail: arvids@utpl.edu.ec; Serrano, Sheyla [Centro de Investigacion en Fisica de Materia Condensada, Corporacion de Fisica Fundamental y Aplicada, Apartado 17-12-637, Quito (Ecuador); Escuela de Ingenierias, Universidad Politecnica Salesiana, Campus Sur, Rumichaca s/n y Moran Valverde, Apartado 17-12-536, Quito (Ecuador); Medina, Paul [Centro de Investigacion en Fisica de Materia Condensada, Corporacion de Fisica Fundamental y Aplicada, Apartado 17-12-637, Quito (Ecuador)

    2006-05-31

    Investigation of an oxygen vacancy and F center in the cubic and tetragonal lattices of PbTiO{sub 3} crystals is done by means of quantum-chemical simulations. Displacements of defect-surrounding atoms, electronic and optical properties, lattice relaxation energies and some new effects due to the defects presence are reported and analyzed. A comparison with similar studies is made and conclusions are drawn on the basis of the obtained results.

  4. Detection of oxygen vacancy defect states in capacitors with ultrathin Ta2O5 films by zero-bias thermally stimulated current spectroscopy

    International Nuclear Information System (INIS)

    Lau, W.S.; Leong, L.L.; Han, Taejoon; Sandler, Nathan P.

    2003-01-01

    Defect state D (0.8 eV) was experimentally detected in Ta 2 O 5 capacitors with ultrathin (physical thickness 2 O 5 films using zero-bias thermally stimulated current spectroscopy and correlated with leakage current. Defect state D can be more efficiently suppressed by using N 2 O rapid thermal annealing (RTA) instead of using O 2 RTA for postdeposition annealing and by using TiN instead of Al for top electrode. We believe that defect D is probably the first ionization level of the oxygen vacancy deep double donor. Other important defects are Si/O-vacancy complex single donors and C/O-vacancy complex single donors

  5. Extended x-ray absorption fine structure spectroscopy and x-ray absorption near edge spectroscopy study of aliovalent doped ceria to correlate local structural changes with oxygen vacancies clustering

    Energy Technology Data Exchange (ETDEWEB)

    Shirbhate, S. C.; Acharya, S. A., E-mail: saha275@yahoo.com [Department of Physics, Rashtrasant Tukadoji Maharaj Nagpur University, Nagpur 440033 (India); Yadav, A. K. [Atomic and molecular Physics Division, Bhabha Atomic Research Centre, Mumbai 400085 (India)

    2016-04-04

    This study provides atomic scale insight to understand the role of aliovalent dopants on oxygen vacancies clustering and dissociation mechanism in ceria system in order to enhance the performance of oxy-ion conductor. Dopants induced microscale changes in ceria are probed by extended X-ray absorption fine structure spectroscopy, X-ray absorption near edge spectra, and Raman spectroscopy. The results are explored to establish a correlation between atomic level structural changes (coordination number, interatomic spacing) → formation of dimer and trimer type cation-oxygen vacancies defect complex (intrinsic and extrinsic) → dissociation of oxygen vacancies from defect cluster → ionic conductivity temperature. It is a strategic approach to understand key physics of ionic conductivity mechanism in order to reduce operating temperature of electrolytes for intermediate temperature (300–450 °C) electrochemical devices for the first time.

  6. The role of Co impurities and oxygen vacancies in the ferromagnetism of Co-doped SnO2: GGA and GGA+U studies

    International Nuclear Information System (INIS)

    Wang Hongxia; Yan Yu; Mohammed, Y. Sh.; Du Xiaobo; Li Kai; Jin Hanmin

    2009-01-01

    The electronic structure and ferromagnetic stability of Co-doped SnO 2 are studied using the first-principle density functional method within the generalized gradient approximation (GGA) and GGA+U schemes. The addition of effective U Co transforms the ground state of Co-doped SnO 2 to insulating from half-metallic and the coupling between the nearest neighbor Co spins to weak antimagnetic from strong ferromagnetic. GGA+U Co calculations show that the pure substitutional Co defects in SnO 2 cannot induce the ferromagnetism. Oxygen vacancies tend to locate near Co atoms. Their presence increases the magnetic moment of Co and induces the ferromagnetic coupling between two Co spins with large Co-Co distance. The calculated density of state and spin density distribution calculated by GGA+U Co show that the long-range ferromagnetic coupling between two Co spins is mediated by spin-split impurity band induced by oxygen vacancies. More charge transfer from impurity to Co-3d states and larger spin split of Co-3d and impurity states induced by the addition of U Co enhance the ferromagnetic stability of the system with oxygen vacancies. By applying a Coulomb U O on O 2 s orbital, the band gap is corrected for all calculations and the conclusions derived from GGA+U Co calculations are not changed by the correction of band gap.

  7. Migration mechanisms and diffusion barriers of vacancies in Ga2O3

    Science.gov (United States)

    Kyrtsos, Alexandros; Matsubara, Masahiko; Bellotti, Enrico

    2017-06-01

    We employ the nudged elastic band and the dimer methods within the standard density functional theory (DFT) formalism to study the migration of the oxygen and gallium vacancies in the monoclinic structure of β -Ga2O3 . We identify all the first nearest neighbor paths and calculate the migration barriers for the diffusion of the oxygen and gallium vacancies. We also identify the metastable sites of the gallium vacancies which are critical for the diffusion of the gallium atoms. The migration barriers for the diffusion of the gallium vacancies are lower than the migration barriers for oxygen vacancies by 1 eV on average, suggesting that the gallium vacancies are mobile at lower temperatures. Using the calculated migration barriers we estimate the annealing temperature of these defects within the harmonic transition state theory formalism, finding excellent agreement with the observed experimental annealing temperatures. Finally, we suggest the existence of percolation paths which enable the migration of the species without utilizing all the migration paths of the crystal.

  8. Analysis of simulation methodology for calculation of the heat of transport for vacancy thermodiffusion

    Energy Technology Data Exchange (ETDEWEB)

    Tucker, William C.; Schelling, Patrick K., E-mail: patrick.schelling@ucf.edu [Advanced Material Processing and Analysis Center and Department of Physics, University of Central Florida, 4000 Central Florida Blvd., Orlando, Florida 32816 (United States)

    2014-07-14

    Computation of the heat of transport Q{sub a}{sup *} in monatomic crystalline solids is investigated using the methodology first developed by Gillan [J. Phys. C: Solid State Phys. 11, 4469 (1978)] and further developed by Grout and coworkers [Philos. Mag. Lett. 74, 217 (1996)], referred to as the Grout-Gillan method. In the case of pair potentials, the hopping of a vacancy results in a heat wave that persists for up to 10 ps, consistent with previous studies. This leads to generally positive values for Q{sub a}{sup *} which can be quite large and are strongly dependent on the specific details of the pair potential. By contrast, when the interactions are described using the embedded atom model, there is no evidence of a heat wave, and Q{sub a}{sup *} is found to be negative. This demonstrates that the dynamics of vacancy hopping depends strongly on the details of the empirical potential. However, the results obtained here are in strong disagreement with experiment. Arguments are presented which demonstrate that there is a fundamental error made in the Grout-Gillan method due to the fact that the ensemble of states only includes successful atom hops and hence does not represent an equilibrium ensemble. This places the interpretation of the quantity computed in the Grout-Gillan method as the heat of transport in doubt. It is demonstrated that trajectories which do not yield hopping events are nevertheless relevant to computation of the heat of transport Q{sub a}{sup *}.

  9. An Unusual Strong Visible-Light Absorption Band in Red Anatase TiO2 Photocatalyst Induced by Atomic Hydrogen-Occupied Oxygen Vacancies.

    Science.gov (United States)

    Yang, Yongqiang; Yin, Li-Chang; Gong, Yue; Niu, Ping; Wang, Jian-Qiang; Gu, Lin; Chen, Xingqiu; Liu, Gang; Wang, Lianzhou; Cheng, Hui-Ming

    2018-02-01

    Increasing visible light absorption of classic wide-bandgap photocatalysts like TiO 2 has long been pursued in order to promote solar energy conversion. Modulating the composition and/or stoichiometry of these photocatalysts is essential to narrow their bandgap for a strong visible-light absorption band. However, the bands obtained so far normally suffer from a low absorbance and/or narrow range. Herein, in contrast to the common tail-like absorption band in hydrogen-free oxygen-deficient TiO 2 , an unusual strong absorption band spanning the full spectrum of visible light is achieved in anatase TiO 2 by intentionally introducing atomic hydrogen-mediated oxygen vacancies. Combining experimental characterizations with theoretical calculations reveals the excitation of a new subvalence band associated with atomic hydrogen filled oxygen vacancies as the origin of such band, which subsequently leads to active photo-electrochemical water oxidation under visible light. These findings could provide a powerful way of tailoring wide-bandgap semiconductors to fully capture solar light. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Experimental evidence for fast cluster formation of chain oxygen vacancies in YBa2Cu3O7-d being at the origin of the fishtail anomaly

    OpenAIRE

    Erb, Andreas; Manuel, Alfred A.; Dhalle, Marc; Marti, Frank; Genoud, Jean-Yves; Revaz, Bernard; Junod, Alain; Vasumathi, Dharmavaram; Ishibashi, Shoji; Shukla, Abhay; Walker, Eric; Fischer, Oystein; Fluekiger, Rene; Pozzi, Riccardo; Mali, Mihael

    1998-01-01

    We report on three different and complementary measurements, namely magnetisation measurements, positron annihilation spectroscopy and NMR measurements, which give evidence that the formation of oxygen vacancy clusters is on the origin of the fishtail anomaly in YBa2Cu3O7-d. While in the case of YBa2Cu3O7.0 the anomaly is intrinsically absent, it can be suppressed in the optimally doped state where vacancies are present. We therefore conclude that the single vacancies or point defects can not...

  11. Oxygen vacancy induced two-dimensional electron system in disordered-crystalline LaAlO{sub 3}/KTaO{sub 3} heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Zapf, Michael; Gabel, Judith; Scheiderer, Philipp; Dudy, Lenart; Sing, Michael; Claessen, Ralph [Physikalisches Institut and Roentgen Center for Complex Material Systems (RCCM), Universitaet Wuerzburg (Germany); Schlueter, Christoph; Lee, Tien-Lin [Diamond Light Source Ltd., Didcot (United Kingdom)

    2016-07-01

    Two-dimensional electron systems (2DESs) in oxide heterostructures based on SrTiO{sub 3} are considered to be a promising platform for future microelectronic technology. A variety of interesting properties such as ferromagnetism, resistive switching and superconductivity are linked to interfacial n-doping involving oxygen vacancies. The introduction of a high Z-cation with large spin-orbit coupling like Ta offers an exciting new parameter. We report on a new oxygen vacancy induced 2DES located at the interface of disordered LaAlO{sub 3} and crystalline KTaO{sub 3}, which exhibits remarkably high electron mobilities and charge carrier concentrations. The number of charge carriers can be readily manipulated by the film thickness and irradiation with intense X-rays. Our synchrotron-based hard X-ray photoemission experiments provide a direct probe of the Ta 5d charge carriers at the buried interface to obtain information on the charge carrier density, its depth distribution, and the band structure.

  12. High-performance gas sensing achieved by mesoporous tungsten oxide mesocrystals with increased oxygen vacancies

    KAUST Repository

    Wang, Dong

    2013-01-01

    The inner structure of W18O49 mesocrystals was observed by electron microscopy with the help of ultramicrotomy and focused ion beam techniques. The results showed that these mesocrystals contain irregular mesopores formed through partial fusion of self-assembled nanowires, and consequently have long-range structural ordering in one dimension and short-range ordering in the other two dimensions. The W18O 49 mesocrystals exhibit superior performance in gas sensing applications, which is considered to be associated with the presence of more oxygen vacancy sites in the unique mesoporous structure. © 2013 The Royal Society of Chemistry.

  13. Surface oxygen vacancy and oxygen permeation flux limits of perovskite ion transport membranes

    KAUST Repository

    Hunt, Anton

    2015-09-01

    © 2015 Elsevier B.V. The mechanisms and quantitative models for how oxygen is separated from air using ion transport membranes (ITMs) are not well understood, largely due to the experimental complexity for determining surface exchange reactions at extreme temperatures (>800°C). This is especially true when fuels are present at the permeate surface. For both inert and reactive (fuels) operations, solid-state oxygen surface vacancies (δ) are ultimately responsible for driving the oxygen flux, JO2. In the inert case, the value of δ at either surface is a function of the local PO2 and temperature, whilst the magnitude of δ dictates both the JO2 and the inherent stability of the material. In this study values of δ are presented based on experimental measurements under inert (CO2) sweep: using a permeation flux model and local PO2 measurements, collected by means of a local gas-sampling probe in our large-scale reactor, we can determine δ directly. The ITM assessed was La0.9Ca0.1FeO3-δ (LCF); the relative resistances to JO2 were quantified using the pre-defined permeation flux model and local PO2 values. Across a temperature range from 825°C to 1056°C, δ was found to vary from 0.007 to 0.029 (<1%), safely within material stability limits, whilst the permeate surface exchange resistance dominates. An inert JO2 limit was identified owing to a maximum sweep surface δ, δmaxinert. The physical presence of δmaxinert is attributed to a rate limiting step shift from desorption to associative electron transfer steps on the sweep surface as PO2 is reduced. Permeate surface exchange limitations under non-reactive conditions suggest that reactive (fuel) operation is necessary to accelerate surface chemistry for future work, to reduce flux resistance and push δpast δmaxinert in a stable manner.

  14. Oxygen vacancy rich Cu2O based composite material with nitrogen doped carbon as matrix for photocatalytic H2 production and organic pollutant removal.

    Science.gov (United States)

    Lu, Lele; Xu, Xinxin; Yan, Jiaming; Shi, Fa-Nian; Huo, Yuqiu

    2018-02-06

    A nitrogen doped carbon matrix supported Cu 2 O composite material (Cu/Cu2O@NC) was fabricated successfully with a coordination polymer as precursor through calcination. In this composite material, Cu 2 O particles with a size of about 6-10 nm were dispersed evenly in the nitrogen doped carbon matrix. After calcination, some coordinated nitrogen atoms were doped in the lattice of Cu 2 O and replace oxygen atoms, thus generating a large number of oxygen vacancies. In Cu/Cu2O@NC, the existence of oxygen vacancies has been confirmed by electron spin resonance (ESR) and X-ray photoelectron spectroscopy (XPS). Under visible light irradiation, Cu/Cu2O@NC exhibits excellent H 2 production with the rate of 379.6 μmol h -1 g -1 . Its photocatalytic activity affects organic dyes, such as Rhodamine B (RhB) and methyl orange (MO). In addition to photocatalysis, Cu/Cu2O@NC also exhibits striking catalytic activity in reductive conversion of 4-nitrophenol to 4-aminophenol with in presence of sodium borohydride (NaBH 4 ). The conversion efficiency reaches almost 100% in 250 s with the quantity of Cu/Cu2O@NC as low as 5 mg. The outstanding H 2 production and organic pollutants removal are attributed to the oxygen vacancy. We expect that Cu/Cu2O@NC will find its way as a new resource for hydrogen energy as well as a promising material in water purification.

  15. Manipulating multiple order parameters via oxygen vacancies: The case of E u0.5B a0.5Ti O3 -δ

    Science.gov (United States)

    Li, Weiwei; He, Qian; Wang, Le; Zeng, Huizhong; Bowlan, John; Ling, Langsheng; Yarotski, Dmitry A.; Zhang, Wenrui; Zhao, Run; Dai, Jiahong; Gu, Junxing; Shen, Shipeng; Guo, Haizhong; Pi, Li; Wang, Haiyan; Wang, Yongqiang; Velasco-Davalos, Ivan A.; Wu, Yangjiang; Hu, Zhijun; Chen, Bin; Li, Run-Wei; Sun, Young; Jin, Kuijuan; Zhang, Yuheng; Chen, Hou-Tong; Ju, Sheng; Ruediger, Andreas; Shi, Daning; Borisevich, Albina Y.; Yang, Hao

    2017-09-01

    Controlling functionalities, such as magnetism or ferroelectricity, by means of oxygen vacancies (VO) is a key issue for the future development of transition-metal oxides. Progress in this field is currently addressed through VO variations and their impact on mainly one order parameter. Here we reveal a mechanism for tuning both magnetism and ferroelectricity simultaneously by using VO. Combining experimental and density-functional theory studies of E u0.5B a0.5Ti O3 -δ , we demonstrate that oxygen vacancies create T i3 +3 d1 defect states, mediating the ferromagnetic coupling between the localized Eu 4 f7 spins, and increase an off-center displacement of Ti ions, enhancing the ferroelectric Curie temperature. The dual function of Ti sites also promises a magnetoelectric coupling in the E u0.5B a0.5Ti O3 -δ .

  16. Oxygen vacancies at the spinel/perovskite γ-Al{sub 2}O{sub 3}/SrTiO{sub 3} heterointerface probed by resonant photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Schuetz, Philipp; Pfaff, Florian; Zapf, Michael; Gabel, Judith; Dudy, Lenart; Berner, Goetz; Sing, Michael; Claessen, Ralph [Physikalisches Institut and Roentgen Center for Complex Material Systems (RCCM), Universitaet Wuerzburg (Germany); Chen, Yunzhong; Pryds, Nini [Department of Energy Conversion and Storage, Technical University of Denmark, Risoe (Denmark); Schlueter, Christoph; Lee, Tien-Lin [Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot (United Kingdom)

    2016-07-01

    The spinel/perovskite heterointerface between the band insulators γ-Al{sub 2}O{sub 3} and SrTiO{sub 3} hosts a two-dimensional electron system (2DES) with exceptionally high electron mobility. Soft x-ray resonant photoelectron spectroscopy at the Ti L absorption edge is used to probe the Ti 3d derived interface states. Marked differences in the resonance behavior are found for the SrTiO{sub 3} valence band and the different interface states, which are observed in the band gap of SrTiO{sub 3}. A comparison to X-ray absorption spectra of Ti 3d{sup 0} and Ti 3d{sup 1} systems reveals the presence of different types of electronic states with Ti 3d character, i.e., oxygen vacancy induced, trapped in-gap states and itinerant states contributing to the 2DES. Exposure to low doses of oxygen during irradiation allows for the reversible manipulation of the oxygen stoichiometry, thus revealing the presence of an oxygen vacancy-induced state, which is characteristic for this spinel/perovskite interface.

  17. Performance Evaluation of an Oxygen Sensor as a Function of the Samaria Doped Ceria Film Thickness

    International Nuclear Information System (INIS)

    Sanghavi, Rahul P.; Nandasiri, Manjula I.; Kuchibhatla, Satyanarayana; Nachimuthu, Ponnusamy; Engelhard, Mark H.; Shutthanandan, V.; Jiang, Weilin; Thevuthasan, Suntharampillai; Kayani, Asghar N.; Prasad, Shalini

    2010-01-01

    The current demand in the automobile industry is in the control of air-fuel mixture in the combustion engine of automobiles. Oxygen partial pressure can be used as an input parameter for regulating or controlling systems in order to optimize the combustion process. Our goal is to identify and optimize the material system that would potentially function as the active sensing material for such a device that monitors oxygen partial pressure in these systems. We have used thin film samaria doped ceria (SDC) as the sensing material for the sensor operation, exploiting the fact that at high temperatures, oxygen vacancies generated due to samarium doping act as conducting medium for oxygen ions which hop through the vacancies from one side to the other contributing to an electrical signal. We have recently established that 6 atom% Sm doping in ceria films has optimum conductivity. Based on this observation, we have studied the variation in the overall conductivity of 6 atom% samaria doped ceria thin films as a function of thickness in the range of 50 nm to 300 nm at a fixed bias voltage of 2 volts. A direct proportionality in the increase in the overall conductivity is observed with the increase in sensing film thickness. For a range of oxygen pressure values from 1 mTorr to 100 Torr, a tolerable hysteresis error, good dynamic response and a response time of less than 10 seconds was observed

  18. Perturbation of the γ angular distribution due to vacancy-induced quadrupole interaction in metals

    International Nuclear Information System (INIS)

    Abromeit, C.

    1976-01-01

    This paper presents an investigation of the influence of diffusing vacancies on the results of PAC/PAD experiments. The fluctuating hyperfine interaction process, caused by thermal hopping of the vacancies, is described by a stochastic model, and the mean value of the density matrix time development operator of the probe nucleus. First, the nuclear perturbation factors, containing all information about the interaction of the nuclear spin system with the environment, are defined. The stochastic process of vacancy diffusion in a discrete lattice is presented, and approximation methods are given leading to a significant simplification and in some cases even make possible an evaluation at all. The problem of vacancy preparation at the initial stage of the PAC/PAD-experiment is studied. For the electric field gradients produced by the vacancies at the position of the probe nucleus, an empirical ansatz is given. For different lattice structures, numerical results for integral and differential measurements with and without an applied external magnetic field are presentd. These results are discussed in view of the approximations made and compared with the experiment. Also, the influence of the initial vacancy distribution on the calculated perturbation factors is investigated. The results show good agreement with experimental data. (orig./HPOE) [de

  19. Oxygen vacancy induces self-doping effect and metalloid LSPR in non-stoichiometric tungsten suboxide synergistically contributing to the enhanced photoelectrocatalytic performance of WO3-x/TiO2-x heterojunction.

    Science.gov (United States)

    Huang, Weicheng; Wang, Jinxin; Bian, Lang; Zhao, Chaoyue; Liu, Danqing; Guo, Chongshen; Yang, Bin; Cao, Wenwu

    2018-06-27

    A WO3-x/TiO2-x nanotube array (NTA) heterojunction photoanode was strategically designed to improve photoelectrocatalytic (PEC) performance by establishing a synergistic vacancy-induced self-doping effect and localized surface plasmon resonance (LSPR) effect of metalloid non-stoichiometric tungsten suboxide. The WO3-x/TiO2-x NTA heterojunction photoanode was synthesized through a successive process of anodic oxidation to form TiO2 nanotube arrays, magnetron sputtering to deposit metalloid WO3-x, and post-hydrogen reduction to engender oxygen vacancy in TiO2-x as well as crystallization. On the merits of such a synergistic effect, WO3-x/TiO2-x shows higher light-harvesting ability, stronger photocurrent response, and resultant improved photoelectrocatalytic performance than the contrast of WO3-x/TiO2, WO3/TiO2 and TiO2, confirming the importance of oxygen vacancies in improving PEC performance. Theoretical calculation based on density functional theory was applied to investigate the electronic structural features of samples and reveal how the oxygen vacancy determines the optical property. The carrier density tuning mechanism and charge transfer model were considered to be associated with the synergistic effect of self-doping and metalloid LSPR effect in the WO3-x/TiO2-x NTA.

  20. Mixed oxygen ion/electron-conducting ceramics for oxygen separation

    Energy Technology Data Exchange (ETDEWEB)

    Stevenson, J.W.; Armstrong, T.R.; Armstrong, B.L. [Pacific Northwest National Lab., Richland, WA (United States)

    1996-08-01

    Mixed oxygen ion and electron-conducting ceramics are unique materials that can passively separate high purity oxygen from air. Oxygen ions move through a fully dense ceramic in response to an oxygen concentration gradient, charge-compensated by an electron flux in the opposite direction. Compositions in the system La{sub 1{minus}x}M{sub x}Co{sub 1{minus}y{minus}z}Fe{sub y}N{sub z}O{sub 3{minus}{delta}}, perovskites where M=Sr, Ca, and Ba, and N=Mn, Ni, Cu, Ti, and Al, have been prepared and their electrical, oxygen permeation, oxygen vacancy equilibria, and catalytic properties evaluated. Tubular forms, disks, and asymmetric membrane structures, a thin dense layer on a porous support of the same composition, have been fabricated for testing purposes. In an oxygen partial gradient, the passive oxygen flux through fully dense structures was highly dependent on composition. An increase in oxygen permeation with increased temperature is attributed to both enhanced oxygen vacancy mobility and higher vacancy populations. Highly acceptor-doped compositions resulted in oxygen ion mobilities more than an order of magnitude higher than yttria-stabilized zirconia. The mixed conducting ceramics have been utilized in a membrane reactor configuration to upgrade methane to ethane and ethylene. Conditions were established to balance selectivity and throughput in a catalytic membrane reactor constructed from mixed conducting ceramics.

  1. Effect of oxygen vacancy induced by pulsed magnetic field on the room-temperature ferromagnetic Ni-doped ZnO synthesized by hydrothermal method

    Energy Technology Data Exchange (ETDEWEB)

    Zhong, Min [Shanghai University, Laboratory for Microstructures, School of Materials Science and Engineering, 149 Yanchang Road, 200072 Shanghai (China); Li, Ying, E-mail: liying62@shu.edu.cn [Shanghai University, Laboratory for Microstructures, School of Materials Science and Engineering, 149 Yanchang Road, 200072 Shanghai (China); Tariq, Muhammad; Hu, Yemin; Li, Wenxian; Zhu, Mingyuan; Jin, Hongmin [Shanghai University, Laboratory for Microstructures, School of Materials Science and Engineering, 149 Yanchang Road, 200072 Shanghai (China); Li, Yibing [School of Chemistry, The University of New South Wales, Sydney, NSW, 2052 (Australia)

    2016-08-05

    Room temperature ferromagnetic 2% Ni doped ZnO rods were synthesized by high pulsed magnetic field-assisted hydrothermal method. A detailed study on the effect of high pulsed magnetic field on morphology, structural and magnetic properties of the ZnO rods has been carried out systematically by varying the intensity of field from 0 to 4 T. X-ray diffraction, Energy-dispersive spectroscopy measurements, and Raman spectra analysis suggest that all the samples have hexagonal wurtzite structure without detectable impurity. Field emission scanning electron microscopy images indicate that the particle size of samples decrease with increasing intensity of field. High resolution transmission electron microscopy observation ensures that the Ni ions addition do not change the wurtzite host matrix. X-ray photoelectron spectroscopy confirms the incorporation of Ni elements as divalent state and the dominant presence of oxygen vacancies in samples fabricated under 4 T pulsed magnetic field. Hysteresis loops demonstrate that the saturation magnetization increased regularly with the mounting magnetic field. On the framework of bound magnetic polaron model, the rising content of oxygen vacancies, as donor defect, lead to the stronger ferromagnetism in samples with pulsed magnetic field. Our findings provide a new insight for tuning the defect density by precisely controlling the intensity of field in order to get the desired magnetic behavior at room temperature. - Graphical abstract: This figure shows the magnetization versus magnetic field curves for 2%Ni doped ZnO as prepared with 0, 1, 2, 3 and 4 T pulsed magnetic field at 290 K. For 0 T sample, no ferromagnetic response is observed. But all the samples synthesized with field were well-defined hysteresis loops. The saturation magnetization estimated from the hysteresis loop come out to be ∼0.0024, 0.0023, 0.0036 and 0.0061 emu/g for 1 T, 2 T, 3 T and 4 T samples, respectively. As shown in the curves, the room

  2. Oxygen vacancy induced fast lithium storage and efficient organics photodegradation over ultrathin TiO{sub 2} nanolayers grafted graphene sheets

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Yu, E-mail: xieyu_121@163.com [Nanchang Hangkong University, Department of Material Chemistry, Nanchang, Jiangxi Province (China); Hu, Dongsheng [Nanchang Hangkong University, Department of Material Chemistry, Nanchang, Jiangxi Province (China); Liu, Lianjun, E-mail: liul@uwm.edu [University of Wisconsin-Milwaukee, Mechanical Engineering Department, Milwaukee, WI (United States); Zhou, Panpan; Xu, Jiangwei; Ling, Yun [Nanchang Hangkong University, Department of Material Chemistry, Nanchang, Jiangxi Province (China)

    2016-11-15

    Highlights: • Oxygen vacancy is tailored by adjusting the treatment conditions. • Unltrathin TiO{sub 2} nanolayers are grafted on the graphene sheets. • Oxygen vacancy is located on the surface of TiO{sub 2}/graphene treated by H{sub 2}. • Improved lithium storage and organic pollutants removal efficiency. - Abstract: In this work we have developed a unique structure of ultrathin (5 nm) TiO{sub 2} nanolayers grafted graphene nanosheets (TiO{sub 2}/G) and integrated oxygen vacancy (V{sub O}) into TiO{sub 2} to enhance its lithium storage and photocatalytic performances. The defective TiO{sub 2}/G was synthesized by a solvothermal and subsequent thermal treatment method. When treated in a H{sub 2} atmosphere, the resulting TiO{sub 2-x}/G(H{sub 2}) has lower crystallinity, smaller crystal size, richer surface V{sub O}, higher surface area, larger pore volume, and lower charge transfer resistance than that reduced by NaBH{sub 4} solid, i.e., TiO{sub 2-x}/G(NaBH{sub 4}). More importantly, the surface V{sub O} in the TiO{sub 2-x}/G(H{sub 2}) could remarkably inhibit the recombination of photogenerated electron-hole pairs compared with the bulk Vo in the TiO{sub 2-x}/G(NaBH{sub 4}). As a result, the combination of all the factors contributed to the superiority of TiO{sub 2-x}/G(H{sub 2}), which demonstrated not only 70% higher specific capacity, longer cycling performance (1000 cycles) and better rate capability for lithium-ion battery, but also higher photocatalytic activity and 1.5 times faster degradation rate for organic pollutants removal than TiO{sub 2-x}/G(NaBH{sub 4}). The findings in this work will benefit the fundamental understanding of TiO{sub 2}/G surface chemistry and advance the design and preparation of functional materials for energy storage and water treatment.

  3. Enhancement of oxygen vacancies and solar photocatalytic activity of zinc oxide by incorporation of nonmetal

    International Nuclear Information System (INIS)

    Patil, Ashokrao B.; Patil, Kashinath R.; Pardeshi, Satish K.

    2011-01-01

    B-doped ZnO and N-doped ZnO powders have been synthesized by mechanochemical method and characterized by TG–DTA, XRD, SEM–EDX, XPS, UV–visible and photoluminescence (PL) spectra. X-ray diffraction data suggests the hexagonal wurtzite structure for modified ZnO crystallites and the incorporation of nonmetal expands the lattice constants of ZnO. The room temperature PL spectra suggest more number of oxygen vacancies exist in nonmetal-doped ZnO than that of undoped zinc oxide. XPS analysis shows the substitution of some of the O atoms of ZnO by nonmetal atoms. Solar photocatalytic activity of B-doped ZnO, N-doped ZnO and undoped ZnO was compared by means of oxidative photocatalytic degradation (PCD) of Bisphenol A (BPA). B-doped ZnO showed better solar PCD efficiency as compare to N-doped ZnO and undoped ZnO. The PCD of BPA follows first order reaction kinetics. The detail mechanism of PCD of Bisphenol A was proposed with the identification of intermediates such as hydroquinone, benzene-1,2,4-triol and 4-(2-hydroxypropan-2-yl) phenol. - Graphical Abstract: B-doped ZnO and N-doped ZnO synthesized by mechanochemical method were characterized by various techniques. Solar photocatalytic degradation of Bisphenol-A is in the order of B-ZnO>N-ZnO>ZnO. Highlights: ► B-doped ZnO and N-doped ZnO powders have been synthesized by mechanochemical method. ► PL spectra suggest oxygen vacancies are in order of B-doped ZnO>N-doped ZnO>ZnO. ► Solar PCD efficiency is in order of B-doped ZnO>N-doped ZnO>ZnO for Bisphenol A.

  4. Zinc Vacancy-Induced Room-Temperature Ferromagnetism in Undoped ZnO Thin Films

    Directory of Open Access Journals (Sweden)

    Hongtao Ren

    2012-01-01

    Full Text Available Undoped ZnO thin films are prepared by polymer-assisted deposition (PAD and treated by postannealing at different temperatures in oxygen or forming gases (95%  Ar+5% H2. All the samples exhibit ferromagnetism at room temperature (RT. SQUID and positron annihilation measurements show that post-annealing treatments greatly enhance the magnetizations in undoped ZnO samples, and there is a positive correlation between the magnetization and zinc vacancies in the ZnO thin films. XPS measurements indicate that annealing also induces oxygen vacancies that have no direct relationship with ferromagnetism. Further analysis of the results suggests that the ferromagnetism in undoped ZnO is induced by Zn vacancies.

  5. Vacancy identification in Co+ doped rutile TiO2 crystal with positron annihilation spectroscopy

    International Nuclear Information System (INIS)

    Ma Minyang; Qin Xiubo; Wang Baoyi; Wu Weiming

    2013-01-01

    Background: Room temperature Diluted Magnetic Semiconductor (DMS) is a critical path in the study of spin-electronic devices, but there are many disputes in the intrinsic properties and origin of the room temperature ferromagnetism. Positron annihilation spectroscopy (PAS) is a powerful technique for evaluating vacancy-type defects. Purpose: We aim to establish the relationship between the defect structure and ferromagnetism of the materials by analyzing the parameters of positron annihilation. Methods: Co-doped rutile TiO 2 films were synthesized by ion implantation and extensively studied by variable energy positron annihilation Doppler broadening spectroscopy (DBS) and coincidence Doppler broadening (CDB) measurements with variable energy slow positron beam for identification of the vacancies. Results: The results of DBS showed that a newly formed type of vacancy could be concluded by the S-W plot and the CDB results indicated that the oxygen vacancy (Vo) complex Ti-Co-Vo and/or Ti-Vo were formed with Co ions implantation and the vacancy concentration increased with increasing dopant dose. Conclusion: We identify that the generation of Ti-Vo and/or Ti-Co-Vo vacancy complex are induced by the existence of excess Ti 3d electrons around the oxygen vacancy. (authors)

  6. Oxygen vacancy-induced room-temperature ferromagnetism in D—D neutron irradiated single-crystal TiO2 (001) rutile

    Science.gov (United States)

    Xu, Nan-Nan; Li, Gong-Ping; Pan, Xiao-Dong; Wang, Yun-Bo; Chen, Jing-Sheng; Bao, Liang-Man

    2014-10-01

    Remarkable room temperature ferromagnetism in pure single-crystal rutile TiO2 (001) samples irradiated by D—D neutron has been investigated. By combining X-ray diffraction and positron annihilation lifetime, the contracted lattice has been clearly identified in irradiated TiO2, where Ti4+ ions can be easily reduced to the state of Ti3+. As there were no magnetic impurities that could contaminate the samples during the whole procedure, some Ti3+ ions reside on interstitial or substituted sites accompanied by oxygen vacancies should be responsible for the ferromagnetism.

  7. Synergistic effect of oxygen vacancy and nitrogen doping on enhancing the photocatalytic activity of Bi{sub 2}O{sub 2}CO{sub 3} nanosheets with exposed {0 0 1} facets for the degradation of organic pollutants

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yafei [School of Physics and Information Technology, Shaanxi Normal University, Xi’an 710062 (China); Zhu, Gangqiang, E-mail: zgq2006@snnu.edu.cn [School of Physics and Information Technology, Shaanxi Normal University, Xi’an 710062 (China); Hojamberdiev, Mirabbos [School of Physics and Information Technology, Shaanxi Normal University, Xi’an 710062 (China); Department of Natural and Mathematic Sciences, Turin Polytechnic University in Tashkent, Kichik Halqa Yo’li 17, Tashkent 100095 (Uzbekistan); Gao, Jianzhi [School of Physics and Information Technology, Shaanxi Normal University, Xi’an 710062 (China); Hao, Jing [Xi' an Rejee Industry Development Co., Ltd., Xi’an 710016 (China); Zhou, Jianping; Liu, Peng [School of Physics and Information Technology, Shaanxi Normal University, Xi’an 710062 (China)

    2016-05-15

    Highlights: • Nitrogen-doped Bi{sub 2}O{sub 2}CO{sub 3} flower-like microstructures were synthesized by hydrothermal method. • Surface oxygen vacancy were obtained by irradiating the nitrogen-doped Bi{sub 2}O{sub 2}CO{sub 3} with UV light. • Photocatalytic activity was studied by degrading Rhodamine B. • A synergistic effect between oxygen vacancy and nitrogen doping in Bi{sub 2}O{sub 2}CO{sub 3}. - Abstract: Single-crystalline bare Bi{sub 2}O{sub 2}CO{sub 3} (BOC) nanosheets with exposed {0 0 1} facets and nitrogen-doped Bi{sub 2}O{sub 2}CO{sub 3} (NBOC) flower-like microstructures were synthesized by a simple hydrothermal method. The nitrogen-doped Bi{sub 2}O{sub 2}CO{sub 3} flower-like microstructures with oxygen vacancy (UV-NBOC) were obtained by irradiating the NBOC microstructures with UV light for 2 h in ethanol. The UV–vis diffuse reflectance spectra showed that the NBOC and UV-NBOC nanosheets exhibit an obvious red shift in light absorption band compared with the pure BOC nanosheets. Rhodamine B (RhB) was chosen as a model organic pollutant to verify the influence of oxygen vacancy and nitrogen doping on the photocatalytic activity of Bi{sub 2}O{sub 2}CO{sub 3} under simulated solar light irradiation. Judging from the kinetics of RhB photodegradation over the synthesized samples, a synergistic effect between oxygen vacancy and nitrogen doping was found with a remarkable increase (more than 10 and 2 times) in the photocatalytic activity of UV-NBOC compared with BOC and NBOC, respectively. Moreover, the UV-NBOC also exhibited an excellent cyclability and superior photocatalytic activity toward degradation of other organic pollutants (methylene blue, Congo red, Bisphenol A) under simulated solar light irradiation.

  8. High-temperature equilibrium vacancy formation in ceramic materials studied by positron annihilation

    International Nuclear Information System (INIS)

    Forster, M.; Claudy, W.; Hermes, H.; Major, J.; Schaefer, H.E.; Koch, M.; Maier, K.; Stoll, H.

    1992-01-01

    Positron lifetime measurements were used in order to study thermal vacancy formation in NiO, YBa 2 Cu 3 O 7-δ , α-Al 2 O 3 , MgO and 6H-SiC at high temperatures. In NiO two increases of the positron trapping rate at 450K and 1200K (po 2 =10 5 Pa) are attributed to the change of charge of neutral extrinsic Ni-vacancies (c ≅ 10 -4 ) into a negative charge state and to the nonstochiometric formation of charged Ni-vacancies at high temperatures. In YBa 2 Cu 3 O 7-δ the oxygen loss or uptake at T > 680K with an activation enthalpy of 1.03eV can be studied by the variation of the positron lifetime with temperature and oxygen partial pressure. In α-Al 2 O 3 the positrons are annihilated from the delocalized free state between 1000K and 2250K and no positron trapping of thermally formed vacancies was detected which may be understood in terms of the theoretically predicted low concentrations of thermal vacancies. In MgO and 6H-SiC positron lifetime measurements were performed up to temperatures of about 2000K

  9. Photoluminescence and Raman studies for the confirmation of oxygen vacancies to induce ferromagnetism in Fe doped Mn:ZnO compound

    Energy Technology Data Exchange (ETDEWEB)

    Das, J., E-mail: jayashree304@gmail.com [Department of Physics, Silicon Institute of Technology, Bhubaneswar 751024, Odisha (India); Department of Physics, College of Science, Engineering and Technology, University of South Africa, Johannesburg 1710 (South Africa); Mishra, D.K. [Department of Physics, College of Science, Engineering and Technology, University of South Africa, Johannesburg 1710 (South Africa); Department of Physics, Institute of Technical Education and Research, Siksha ‘O’ Anusandhan University, Khandagiri Square, Bhubaneswar 751030, Odisha (India); Srinivasu, V.V. [Department of Physics, College of Science, Engineering and Technology, University of South Africa, Johannesburg 1710 (South Africa); Sahu, D.R. [Amity Institute of Nanotechnology, Amity University, Noida (India); Roul, B.K. [Institute of Materials Science, Planetarium Building, Acharya Vihar, Bhubaneswar, Odisha (India)

    2015-05-15

    With a motivation to compare the magnetic property, we synthesised undoped, transition metal (TM) Mn doped and (Mn:Fe) co-doped ZnO ceramics in the compositions ZnO, Zn{sub 0.98}Mn{sub 0.02}O and Zn{sub 0.96}(Mn{sub 0.02}Fe{sub 0.02})O. Systematic investigations on the structural, microstructural, defect structure and magnetic properties of the samples were performed. Low temperature as well as room temperature ferromagnetism has been observed for all our samples, however, enhanced magnetisation at room temperature has been noticed when ZnO is co-doped with Fe along with Mn. Particularly the sample with the composition Zn{sub 0.96}Mn{sub 0.02}Fe{sub 0.02}O showed a magnetisation value more than double of the sample with composition Zn{sub 0.98}Mn{sub 0.02}O, indicating long range strong interaction between the magnetic impurities leading to higher ferromagnetic ordering. Raman and PL studies reveal presence of higher defects in form of oxygen vacancy clusters created in the sample due to Fe co doping. PL study also reveals enhanced luminescence efficiency in the co doped sample. Temperature dependent magnetisation study of this sample shows the spin freezing temperature around 39 K indicating the presence of small impurity phase of Mn{sub 2−x}Zn{sub x}O{sub 3} type. Electron Spin Resonance signal obtained supports ferromagnetic state in the co doped sample. Enhancement of magnetisation is attributed to interactions mediated by magnetic impurities through large number of oxygen vacancies created by Fe{sup 3+} ions forming bound magnetic polarons (BMP) and facilitating long range ferromagnetic ordering in the co- doped system. - Highlights: • Comparison of magnetic property of ZnO, Zn{sub 0.98}Mn {sub 0.02}O and Zn{sub 0.96}(Mn{sub 0.02}Fe{sub 0.02})O. • Observation of enhanced magnetisation at room temperature in (Mn,Fe) doped ZnO. • Raman and PL studies reveal presence of higher oxygen vacancy clusters. • Electron Spin Resonance signal supports

  10. Stability of V2O5 Supported on Titania in the Presence of Water, Bulk Oxygen Vacancies, and Adsorbed Oxygen Atoms

    DEFF Research Database (Denmark)

    Kristoffersen, Henrik Høgh; Neilson, Hunter L.; Buratto, Steven K.

    2017-01-01

    ). In the case of oxidative dehydrogenation of alkanes and methanol, the reaction produces water, oxygen vacancies, and hydrogen atoms bound to the surface. For this article we use density functional theory to examine how the presence of these species on the surface affects a V2O5 cluster, which we assume......A catalyst consisting of vanadium oxide submonolayers supported on rutile titanium dioxide is used for a variety of reactions. One important question is the difference between the activity of monomeric clusters (having one vanadium atom) and polymeric clusters (having more than one vanadium atom...

  11. Investigation of the oxygen-vacancy (A-center) defect complex profile in neutron irradiated high resistivity silicon junction particle detectors

    International Nuclear Information System (INIS)

    Li, Zheng; Kraner, H.W.; Verbitskaya, E.; Eremin, V.; Ivanov, A.; Rubinelli, F.A.; Fonash, S.J.

    1992-02-01

    Distributions of the A-center (oxygen-vacancy) in neutron silicon detectors have been studied using Deep Level Transient Spectroscopy. A-centers have been found to be nearly uniformly distributed in the silicon water depth for medium resistivity (0.1 - 0.2 kΩ-cm) silicon detectors. A positive filling pulse was needed to detect the A-centers in high resistivity (>4 kΩ-cm) silicon detectors, and this effect was found to be dependent on the oxidation temperature. A discussion of this effect is presented. 16 refs

  12. Switchable diode effect in oxygen vacancy-modulated SrTiO{sub 3} single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Xinqiang; Shuai, Yao; Wu, Chuangui; Luo, Wenbo; Sun, Xiangyu; Zeng, Huizhong; Bai, Xiaoyuan; Gong, Chaoguan; Jian, Ke; Zhang, Wanli [University of Electronic Science and Technology of China, State Key Laboratory of Electronic Thin Films and Integrated Devices, Chengdu (China); Zhang, Lu; Guo, Hongliang [University of Electronic Science and Technology of China, The Center for Robotics, Chengdu (China); Tian, Benlang [26th Institute of China Electronics Technology Group Corporation, Chongqing (China)

    2017-09-15

    SrTiO{sub 3} (STO) single crystal wafer was annealed in vacuum, and co-planar metal-insulator-metal structure of Pt/Ti/STO/Ti/Pt were formed by sputtering Pt/Ti electrodes onto the surface of STO after annealing. The forming-free resistive switching behavior with self-compliance property was observed in the sample. The sample showed switchable diode effect, which is explained by a simple model that redistribution of oxygen vacancies (OVs) under the external electric field results in the formation of n-n{sup +} junction or n{sup +}-n junction (n donated n-type semiconductor; n{sup +} donated heavily doped n-type semiconductor). The self-compliance property is also interpreted by the formation of n-n{sup +}/n{sup +}-n junction caused by the migration of the OVs under the electric field. (orig.)

  13. Effect of random vacancies on the electronic properties of graphene and T graphene: a theoretical approach

    Science.gov (United States)

    Sadhukhan, B.; Nayak, A.; Mookerjee, A.

    2017-12-01

    In this communication we present together four distinct techniques for the study of electronic structure of solids: the tight-binding linear muffin-tin orbitals, the real space and augmented space recursions and the modified exchange-correlation. Using this we investigate the effect of random vacancies on the electronic properties of the carbon hexagonal allotrope, graphene, and the non-hexagonal allotrope, planar T graphene. We have inserted random vacancies at different concentrations, to simulate disorder in pristine graphene and planar T graphene sheets. The resulting disorder, both on-site (diagonal disorder) as well as in the hopping integrals (off-diagonal disorder), introduces sharp peaks in the vicinity of the Dirac point built up from localized states for both hexagonal and non-hexagonal structures. These peaks become resonances with increasing vacancy concentration. We find that in presence of vacancies, graphene-like linear dispersion appears in planar T graphene and the cross points form a loop in the first Brillouin zone similar to buckled T graphene that originates from π and π* bands without regular hexagonal symmetry. We also calculate the single-particle relaxation time, τ (ěc {q}) of ěc {q} labeled quantum electronic states which originates from scattering due to presence of vacancies, causing quantum level broadening.

  14. Room temperature alcohol sensing by oxygen vacancy controlled TiO2 nanotube array

    International Nuclear Information System (INIS)

    Hazra, A.; Dutta, K.; Bhowmik, B.; Bhattacharyya, P.; Chattopadhyay, P. P.

    2014-01-01

    Oxygen vacancy (OV) controlled TiO 2 nanotubes, having diameters of 50–70 nm and lengths of 200–250 nm, were synthesized by electrochemical anodization in the mixed electrolyte comprising NH 4 F and ethylene glycol with selective H 2 O content. The structural evolution of TiO 2 nanoforms has been studied by field emission scanning electron microscopy. Variation in the formation of OVs with the variation of the structure of TiO 2 nanoforms has been evaluated by photoluminescence and X-ray photoelectron spectroscopy. The sensor characteristics were correlated to the variation of the amount of induced OVs in the nanotubes. The efficient room temperature sensing achieved by the control of OVs of TiO 2 nanotube array has paved the way for developing fast responding alcohol sensor with corresponding response magnitude of 60.2%, 45.3%, and 36.5% towards methanol, ethanol, and 2-propanol, respectively.

  15. Vacancy identification in Co+ doped rutile TiO2 crystal with positron annihilation spectroscopy

    Science.gov (United States)

    Qin, X. B.; Zhang, P.; Liang, L. H.; Zhao, B. Z.; Yu, R. S.; Wang, B. Y.; Wu, W. M.

    2011-01-01

    Co-doped rutile TiO2 films were synthesized by ion implantation. Variable energy positron annihilation Doppler broadening spectroscopy and coincidence Doppler broadening measurements were performed for identification of the vacancies. A newly formed type of vacancy can be concluded by the S-W plot and the CDB results indicated that the oxygen vacancy (VO) complex Ti-Co-VO and/or Ti-VO are formed with Co ions implantation and the vacancy concentration is increased with increase of dopant dose.

  16. Migration of Cr-vacancy clusters and interstitial Cr in α-Fe using the dimer method

    International Nuclear Information System (INIS)

    Chen, D.; Gao, F.; Hu, S. Y.; Sun, X.; Heinisch, H. L.; Henager, C. H.; Khaleel, M. A.; Hu, W. Y.; Terentyev, D.

    2010-01-01

    The migration mechanisms and the corresponding activation energies of Cr-vacancy (Cr-V) clusters and Cr interstitials in α-Fe have been investigated using the dimer and the nudged elastic-band methods. Dimer searches are employed to find the possible transition states of these defects and the lowest-energy paths are used to determine the energy barriers for migration. A substitutional Cr atom can migrate to a nearest-neighbor vacancy through an energy barrier of 0.56 eV but this simple mechanism alone is unlikely to lead to the long-distance migration of Cr unless there is a supersaturated concentration of vacancies in the system. The Cr-vacancy clusters can lead to long-distance migration of a Cr atom that is accomplished by Fe and Cr atoms successively jumping to nearest-neighbor vacancy positions, defined as a self-vacancy-assisted migration mechanism, with the migration energies ranging from 0.64 to 0.89 eV. In addition, a mixed Cr-Fe dumbbell interstitial can easily migrate through Fe lattices, with the migration energy barrier of 0.17, which is lower than that of the Fe-Fe interstitial. The on-site rotation of the Cr-Fe interstitial and Cr atom hopping from one site to another are believed to comprise the dominant migration mechanism. The calculated binding energies of Cr-V clusters are strongly dependent on the size of clusters and the concentration of Cr atoms in clusters.

  17. Enhanced room temperature ferromagnetism in electrodeposited Co-doped ZnO nanostructured thin films by controlling the oxygen vacancy defects

    Energy Technology Data Exchange (ETDEWEB)

    Simimol, A. [Nanomaterials Research Lab, Surface Engineering Division, CSIR-National Aerospace Laboratories, Post Bag No. 1779, Bangalore 560017 (India); Department of Physics, National Institute of Technology Calicut, Calicut 673601 (India); Anappara, Aji A. [Department of Physics, National Institute of Technology Calicut, Calicut 673601 (India); Greulich-Weber, S. [Department of Physics, Nanophotonic Materials, Faculty of Science, University of Paderborn, 33095 Paderborn (Germany); Chowdhury, Prasanta [Nanomaterials Research Lab, Surface Engineering Division, CSIR-National Aerospace Laboratories, Post Bag No. 1779, Bangalore 560017 (India); Barshilia, Harish C., E-mail: harish@nal.res.in

    2015-06-07

    We report the growth of un-doped and cobalt doped ZnO nanostructures fabricated on FTO coated glass substrates using electrodeposition method. A detailed study on the effects of dopant concentration on morphology, structural, optical, and magnetic properties of the ZnO nanostructures has been carried out systematically by varying the Co concentration (c.{sub Co}) from 0.01 to 1 mM. For c.{sub Co }≤ 0.2 mM, h-wurtzite phase with no secondary phases of Co were present in the ZnO nanostructures. For c.{sub Co} ≤ 0.2 mM, the photoluminescence spectra exhibited a decrease in the intensity of ultraviolet emission as well as band-gap narrowing with an increase in dopant concentration. All the doped samples displayed a broad emission in the visible range and its intensity increased with an increase in Co concentration. It was found that the defect centers such as oxygen vacancies and zinc interstitials were the source of the visible emission. The X-ray photoelectron spectroscopy studies revealed, Co was primarily in the divalent state, replacing the Zn ion inside the tetrahedral crystal site of ZnO without forming any cluster or secondary phases of Co. The un-doped ZnO nanorods exhibited diamagnetic behavior and it remained up to a c.{sub Co} of 0.05 mM, while for c.{sub Co }> 0.05 mM, the ZnO nanostructures exhibited ferromagnetic behavior at room temperature. The coercivity increased to 695 G for 0.2 mM Co-doped sample and then it decreased for c.{sub Co }> 0.2 mM. Our results illustrate that up to a threshold concentration of 0.2 mM, the strong ferromagnetism is due to the oxygen vacancy defects centers, which exist in the Co-doped ZnO nanostructures. The origin of strong ferromagnetism at room temperature in Co-doped ZnO nanostructures is attributed to the s-d exchange interaction between the localized spin moments resulting from the oxygen vacancies and d electrons of Co{sup 2+} ions. Our findings provide a new insight for tuning the

  18. The oxygen deficient Ruddlesden-Popper La3Ni2O7-δ (δ = 0.65) phase: Structure and properties

    International Nuclear Information System (INIS)

    Poltavets, Viktor V.; Lokshin, Konstantin A.; Egami, Takeshi; Greenblatt, Martha

    2006-01-01

    La 3 Ni 2 O 7-δ (δ = 0.65) was synthesized by hydrogen reduction of the parent La 3 Ni 2 O 7 Ruddlesden-Popper nickelate. The crystal structure of La 3 Ni 2 O 6.35 (space group: I4/mmm, a = 3.8742 (1) A and c = 20.055 (1) A) has been determined from powder neutron diffraction data by the Rietveld method for the first time. The oxygen vacancies are located in the LaO x planes between two of the NiO 2 layers. Removal of these oxygen atoms from the parent phase results in a significant (∼0.4 A) shrinkage of the perovskite block along c-direction and splitting of the Ni position. The major part of Ni cations is surrounded by five oxygen atoms forming square pyramids, while the rest are coordinated to six octahedrally arranged oxygen atoms. Over the 170-400 K temperature range, the conductivity of La 3 Ni 2 O 6.35 follows Mott's variable range hopping model modified for a 2D case

  19. Positron annihilation study of vacancy-type defects in fast-neutron-irradiated MgO·nAl2O3

    Science.gov (United States)

    Rahman, Abu Zayed Mohammad Saliqur; Li, Zhuoxin; Cao, Xingzhong; Wang, Baoyi; Wei, Long; Xu, Qiu; Atobe, Kozo

    2014-09-01

    The positron lifetimes of fast-neutron-irradiated MgO·nAl2O3 single crystals were measured to investigate the formation of cation vacancies. Al monovacancy was possibly observed in samples irradiated by fast neutrons at ultra-low temperatures. Additionally, vacancy-oxygen complex centers were possibly observed in samples irradiated at higher temperatures and fast neutron fluences. Coincidence Doppler broadening (CDB) spectra were measured to obtain information regarding the vicinity of vacancy-type defects. A peak at approximately 11 × 10-3 m0c was observed, which may be due to the presence of oxygen atoms in the neighborhood of the vacancies.

  20. Electronic and optical properties of vacancy defects in single-layer transition metal dichalcogenides

    Science.gov (United States)

    Khan, M. A.; Erementchouk, Mikhail; Hendrickson, Joshua; Leuenberger, Michael N.

    2017-06-01

    A detailed first-principles study has been performed to evaluate the electronic and optical properties of single-layer (SL) transition metal dichalcogenides (TMDCs) (M X 2 ; M = transition metal such as Mo, W, and X = S, Se, Te), in the presence of vacancy defects (VDs). Defects usually play an important role in tailoring electronic, optical, and magnetic properties of semiconductors. We consider three types of VDs in SL TMDCs: (i) X vacancy, (ii) X2 vacancy, and (iii) M vacancy. We show that VDs lead to localized defect states (LDS) in the band structure, which in turn gives rise to sharp transitions in in-plane and out-of-plane optical susceptibilities, χ∥ and χ⊥. The effects of spin-orbit coupling (SOC) are also considered. We find that SOC splitting in LDS is directly related to the atomic number of the transition metal atoms. Apart from electronic and optical properties we also find magnetic signatures (local magnetic moment of ˜μB ) in MoSe2 in the presence of the Mo vacancy, which breaks the time-reversal symmetry and therefore lifts the Kramers degeneracy. We show that a simple qualitative tight-binding model (TBM), involving only the hopping between atoms surrounding the vacancy with an on-site SOC term, is sufficient to capture the essential features of LDS. In addition, the existence of the LDS can be understood from the solution of the two-dimensional Dirac Hamiltonian by employing infinite mass boundary conditions. In order to provide a clear description of the optical absorption spectra, we use group theory to derive the optical selection rules between LDS for both χ∥ and χ⊥.

  1. Multi-scale modeling of interaction between vacancies and alloying elements in ferritic alloys

    International Nuclear Information System (INIS)

    Barouh, Caroline

    2015-01-01

    This PhD thesis is devoted to the study of interaction between vacancies and alloying elements in Oxide Dispersion Strengthened (ODS) steels, which are promising candidate materials for future nuclear reactors. This work is based on multi-scale modeling of a simplified system composed by oxygen, yttrium and titanium atoms and vacancies in an α-iron lattice. We particularly focused on the role of vacancies which are created in excess during the fabrication of these steels. The stability and mobility of vacancy-solute clusters have been examined using ab initio calculations for oxygen, on one hand, which has been systematically compared to carbon and nitrogen, interstitial solutes frequently present in iron-based materials, and, on the other hand, for substitutional solutes: titanium and yttrium. The three interstitial solutes show very similar energetic and kinetic behaviors. The impact of small mobile vacancy-solute clusters has been verified using a cluster dynamics model based on our ab initio results. It has been thus demonstrated that with over-saturation of vacancies, diffusion of interstitial solutes may be accelerated, while substitutional solutes do not become necessarily faster. These conclusions are consistent with existing experimental observations. All these results have been then used to complete our understanding of nano-clusters formation mechanisms. It appeared that the relative mobility of yttrium and titanium, as well as the number of potential nuclei to form nanoparticles strongly depend on the total vacancy concentration in the system. (author) [fr

  2. Migration of O vacancies in α-quartz: The effect of excitons and electron holes

    International Nuclear Information System (INIS)

    Song, Jakyoung; Corrales, L. Rene; Kresse, Georg; Jonsson, Hannes

    2001-01-01

    We have used density-functional theory and the nudged elastic-band method to calculate migration pathways and estimated the activation energy for the diffusion of oxygen vacancies in α-quartz. While the energy barrier for the diffusion of a neutral vacancy is very high, 4.1 eV, the binding of a triplet-state exciton to the vacancy lowers the barrier to 1.7 eV and the attachment of a hole lowers the barrier to 1.9 eV, making the vacancy mobile at commonly used annealing temperatures

  3. Atomic geometry and STM simulations of a TiO.sub.2./sub.(110) surface upon formation of an oxygen vacancy and hydroxyl group

    Czech Academy of Sciences Publication Activity Database

    Mutombo, Pingo; Kiss, A.M.; Berkó, A.; Cháb, Vladimír

    2008-01-01

    Roč. 16, - (2008), 025007/1-025007/9 ISSN 0965-0393 R&D Projects: GA AV ČR IAA1010413 Grant - others:MŠMT(CZ) 9/2004 KONTAKT Institutional research plan: CEZ:AV0Z10100521 Source of funding: V - iné verejné zdroje Keywords : vacance * Oxygen * OH group * STM Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.388, year: 2008

  4. Ionized zinc vacancy mediated ferromagnetism in copper doped ZnO thin films

    Directory of Open Access Journals (Sweden)

    Shi-Yi Zhuo

    2012-03-01

    Full Text Available This paper reports the origin of ferromagnetism in Cu-doped ZnO thin films. Room-temperature ferromagnetism is obtained in all the thin films when deposited at different oxygen partial pressure. An obviously enhanced peak corresponding to zinc vacancy is observed in the photoluminescence spectra, while the electrical spin resonance measurement implies the zinc vacancy is negative charged. After excluding the possibility of direct exchange mechanisms (via free carriers, we tentatively propose a quasi-indirect exchange model (via ionized zinc vacancy for Cu-doped ZnO system.

  5. Wide-range tunable bandgap in Bi1−xCaxFe1−yTiyO3−δ nanoparticles via oxygen vacancy induced structural modulations at room temperature

    International Nuclear Information System (INIS)

    Mocherla, Pavana S V; Sudakar, C; Gautam, Sanjeev; Chae, Keun Hwa; Rao, M S Ramachandra

    2015-01-01

    We demonstrate that oxygen vacancies (V O ) produced by aliovalent (Ca 2+ ) doping in BiFeO 3 (BCFO) and associated structural changes due to V O ordering result in systematic alteration of the bandgap (E g ) over a wide range from 1.5 eV to 2.3 eV. By contrast, the change in the bandgap of a Ca 2+ and Ti 4+ co-doped BiFeO 3 (BCFTO) system, wherein the V O formation is suppressed, is negligible. These contrastive results strongly confirm the role of oxygen vacancies in altering the bandgap of BCFO. Irrespective of doping, microstrain, which is found to be large (0.3 to 1.2%) below a critical size (d c ∼ 60 nm) also produces a small, yet linear change in the bandgap (E g from 2.0 to 2.3 eV). The cubic phase stabilizes gradually in BCFO for x > 0.1 through an orthorhombic phase (for 0.05 < x < 0.1), whereas it directly transforms for x > 0.1 in BCFTO. This change in BCFO at 300 K suggests a high-pressure-like (or high-temperature-like) effect of the oxygen vacancies and dopants on the structure. Systematic variations in the relative intensities and peak positions of Fe d–d transitions in BCFO reveal the local changes in Fe–O–Fe coordination. These results along with XANES and HRTEM studies substantiate the observed structural changes. (paper)

  6. Low-temperature positron lifetime and Doppler-broadening measurements for single-crystal nickel oxide containing cation vacancies

    International Nuclear Information System (INIS)

    Waber, J.T.; Snead, C.L. Jr.; Lynn, K.G.

    1985-01-01

    Lifetime and Doppler-broadening measurements for positron annihilation in substoichiometric nickelous oxide have been made concomitantly from liquid-helium to room temperature. The concentration of cation vacancies is readily controlled by altering the ambient oxygen pressure while annealing the crystals at 1673 0 K. It was found that neither of the three lifetimes observed or their relative intensities varied significantly with the oxygen pressure, and the bulk rate only increased slightly when the specimen was cooled from room to liquid-helium temperatures. These results are interpreted as indicating that some of the positrons are trapped by the existing cation vacancies and a smaller fraction by vacancy clusters

  7. Room temperature alcohol sensing by oxygen vacancy controlled TiO{sub 2} nanotube array

    Energy Technology Data Exchange (ETDEWEB)

    Hazra, A.; Dutta, K.; Bhowmik, B.; Bhattacharyya, P., E-mail: pb-etc-besu@yahoo.com [Nano-Thin Films and Solid State Gas Sensor Devices Laboratory, Department of Electronics and Telecommunication Engineering, Indian Institute of Engineering Science and Technology (IIEST), Shibpur, Howrah (India); Chattopadhyay, P. P. [Department of Metallurgy and Materials Engineering, Indian Institute of Engineering Science and Technology (IIEST), Shibpur, Howrah (India)

    2014-08-25

    Oxygen vacancy (OV) controlled TiO{sub 2} nanotubes, having diameters of 50–70 nm and lengths of 200–250 nm, were synthesized by electrochemical anodization in the mixed electrolyte comprising NH{sub 4}F and ethylene glycol with selective H{sub 2}O content. The structural evolution of TiO{sub 2} nanoforms has been studied by field emission scanning electron microscopy. Variation in the formation of OVs with the variation of the structure of TiO{sub 2} nanoforms has been evaluated by photoluminescence and X-ray photoelectron spectroscopy. The sensor characteristics were correlated to the variation of the amount of induced OVs in the nanotubes. The efficient room temperature sensing achieved by the control of OVs of TiO{sub 2} nanotube array has paved the way for developing fast responding alcohol sensor with corresponding response magnitude of 60.2%, 45.3%, and 36.5% towards methanol, ethanol, and 2-propanol, respectively.

  8. Sr{sub 2}MgMoO{sub 6−δ} thin films fabricated using pulsed-laser deposition with high concentrations of oxygen vacancies

    Energy Technology Data Exchange (ETDEWEB)

    Shigematsu, K. [Department of Chemistry, The University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); Chikamatsu, A., E-mail: chikamatsu@chem.s.u-tokyo.ac.jp; Fukumura, T. [Department of Chemistry, The University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); JST-CREST, Bunkyo-ku, Tokyo 113-0033 (Japan); Toyoda, S. [Department of Materials Science and Engineering, Kyoto University, Yoshida-honmachi, Kyoto 606-8501 (Japan); Ikenaga, E. [JASRI/SPring-8, Mikazuki-cho, Hyogo 679-5198 (Japan); Hasegawa, T. [Department of Chemistry, The University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); JST-CREST, Bunkyo-ku, Tokyo 113-0033 (Japan); Kanagawa Academy of Science and Technology (KAST), Kawasaki, Kanagawa 213-0012 (Japan)

    2014-06-30

    We fabricated epitaxial thin films of oxygen-vacant Sr{sub 2}MgMoO{sub 6−δ} using pulsed laser deposition. The films showed low resistivity of the order of 10{sup −2} Ω cm at 300 K. X-ray diffraction analyses revealed that Mg and Mo ions in the Sr{sub 2}MgMoO{sub 6−δ} films were considerably disordered, compared to those in bulk Sr{sub 2}MgMoO{sub 6−δ}. The proportion of oxygen vacancies estimated through hard x-ray photoemission measurements was as large as 0.37, and correlated well with the Mg/Mo ordering.

  9. Oxygen vacancies enabled enhancement of catalytic property of Al reduced anatase TiO{sub 2} in the decomposition of high concentration ozone

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Yanhua; Zhang, Xiaolei [Shanghai Institute of Technology, Shanghai 200235 (China); Chen, Li [East China Normal University, Shanghai 200062 (China); Wang, Xiaorui [Shanghai Institute of Technology, Shanghai 200235 (China); Zhang, Na, E-mail: nzhang@sit.edu.cn [Shanghai Institute of Technology, Shanghai 200235 (China); Liu, Yufeng [Shanghai Institute of Technology, Shanghai 200235 (China); Fang, Yongzheng, E-mail: fyz1003@sina.com [Shanghai Institute of Technology, Shanghai 200235 (China)

    2017-06-15

    The catalytic decomposition of gaseous ozone (O{sub 3}) is investigated using anatase TiO{sub 2} (A-TiO{sub 2}) and Aluminum-reduced A-TiO{sub 2} (ARA-TiO{sub 2}) at high concentration and high relative humidity (RH) without light illumination. Compared with the pristine A-TiO{sub 2}, the ARA-TiO{sub 2} sample possesses a unique crystalline core-amorphous shell structure. It is proved to be an excellent solar energy “capture” for solar thermal collectors due to lots of oxygen vacancies. The results indicate that the overall decomposition efficiency of O{sub 3} without any light irradiation has been greatly improved from 4.8% on A-TiO{sub 2} to 100% on ARA-TiO{sub 2} under the RH=100% condition. The ozone conversion over T500/ARA-TiO{sub 2} catalyst is still maintained at 95% after a 72 h test under the reaction condition of 18.5 g/m{sup 3} ozone initial concentration, and RH=90%. The results can be explained that T500/ARA-TiO{sub 2} possesses the largest amorphous contour, the lowest crystallinity, the most surface-active Ti{sup 3+}/T{sup i4+}couples, and the most oxygen vacancies. This result opens a new door to widen the application of TiO{sub 2} in the thermal-catalytic field. - Graphical abstract: The anatase-TiO{sub 2} with various oxidation states and oxygen vacancies have been obtained by aluminum-reduction, and the decomposition efficiency of O{sub 3} has been greatly improved from 4.8% to 100% without irradiation under the RH=100% condition. - Highlights: • The decomposition of gaseous ozone over Al reduced TiO2 (ARA-TiO{sub 2}) is firstly reported. • The decomposition efficiency is up to 100% without any light irradiation on ARA-TiO{sub 2} under RH=100% condition. • The ozone conversion is maintained at 95% after a 72 h test, when C{sub inlet}=18.5 g/m{sup 3} and RH=90%.

  10. Vacancy-induced ferromagnetism in ZnO probed by spin-polarized positron annihilation spectroscopy

    Science.gov (United States)

    Maekawa, Masaki; Abe, Hiroshi; Miyashita, Atsumi; Sakai, Seiji; Yamamoto, Shunya; Kawasuso, Atsuo

    2017-04-01

    We investigated the ferromagnetism of ZnO induced by oxygen implantation by using spin-polarized positron annihilation spectroscopy together with magnetization measurements. The magnetization measurements showed the appearance of ferromagnetism after oxygen implantation and its disappearance during post-implantation annealing at temperatures above 573 K. The Doppler broadening of annihilation radiation (DBAR) spectrum showed asymmetry upon field reversal after oxygen implantation. The obtained differential DBAR spectrum between positive and negative magnetic fields was well-explained with a theoretical calculation considering zinc vacancies. The disappearance of the field-reversal asymmetry of the DBAR spectrum as a result of annealing agreed with the observations of ferromagnetism by magnetization measurements. These results suggest the radiation-induced zinc vacancies to be the source of the observed ferromagnetism of ZnO.

  11. Identification of vacancy defect complexes in transparent semiconducting oxides ZnO, In2O3 and SnO2

    International Nuclear Information System (INIS)

    Makkonen, Ilja; Korhonen, Esa; Prozheeva, Vera; Tuomisto, Filip

    2016-01-01

    Positron annihilation spectroscopy, when combined with supporting high-quality modeling of positron states and annihilation in matter, is a powerful tool for detailed defect identification of vacancy-type defects in semiconductors and oxides. Here we demonstrate that the Doppler broadening of the positron annihilation radiation is a very sensitive means for observing the oxygen environment around cation vacancies, the main open-volume defects trapping positrons in measurements made for transparent semiconducting oxides. Changes in the positron annihilation signal due to external manipulation such as irradiation and annealing can be correlated with the associated changes in the sizes of the detected vacancy clusters. Our examples for ZnO, In 2 O 3 and SnO 2 demonstrate that oxygen vacancies in oxides can be detected directly using positron annihilation spectroscopy when they are complexed with cation vacancies. (paper)

  12. Identification of vacancy defect complexes in transparent semiconducting oxides ZnO, In2O3 and SnO2

    Science.gov (United States)

    Makkonen, Ilja; Korhonen, Esa; Prozheeva, Vera; Tuomisto, Filip

    2016-06-01

    Positron annihilation spectroscopy, when combined with supporting high-quality modeling of positron states and annihilation in matter, is a powerful tool for detailed defect identification of vacancy-type defects in semiconductors and oxides. Here we demonstrate that the Doppler broadening of the positron annihilation radiation is a very sensitive means for observing the oxygen environment around cation vacancies, the main open-volume defects trapping positrons in measurements made for transparent semiconducting oxides. Changes in the positron annihilation signal due to external manipulation such as irradiation and annealing can be correlated with the associated changes in the sizes of the detected vacancy clusters. Our examples for ZnO, In2O3 and SnO2 demonstrate that oxygen vacancies in oxides can be detected directly using positron annihilation spectroscopy when they are complexed with cation vacancies.

  13. Characterization of the Migration of Hop Volatiles into Different Crown Cork Liner Polymers and Can Coatings.

    Science.gov (United States)

    Wietstock, Philip C; Glattfelder, Richard; Garbe, Leif-Alexander; Methner, Frank-Jürgen

    2016-04-06

    Absorption of hop volatiles by crown cork liner polymers and can coatings was investigated in beer during storage. All hop volatiles measured were prone to migrate into the closures, and the absorption kinetics was demonstrated to fit Fick's second law of diffusion well for a plane sheet. The extent and rate of diffusion were significantly dissimilar and were greatly dependent upon the nature of the volatile. Diffusion coefficients ranged from 1.32 × 10(-5) cm(2)/day (limonene) to 0.26 × 10(-5) cm(2)/day (α-humulene). The maximum amounts absorbed into the material at equilibrium were in the following order: limonene > α-humulene > trans-caryophyllene > myrcene ≫ linalool > α-terpineol > geraniol. With the application of low-density polyethylene (LDPE) liners with oxygen-scavenging functionality, oxygen-barrier liners made up from high-density polyethylene (HDPE) or liner polymers from a different manufacturer had no significant effect on the composition of hop volatiles in beers after prolonged storage of 55 days; however, significantly higher amounts of myrcene and limonene were found in the oxygen-barrier-type crown cork, while all other closures behaved similarly. Can coatings were demonstrated to absorb hop volatiles in a similar pattern as crown corks but to a lesser extent. Consequently, significantly higher percentages of myrcene were found in the beers.

  14. Synthesis and oxygen vacancy related NO{sub 2} gas sensing properties of ZnO:Co nanorods arrays gown by a hydrothermal method

    Energy Technology Data Exchange (ETDEWEB)

    Zou, Changwei, E-mail: qingyihaiyanas@163.com; Liang, Feng; Xue, Shuwen

    2015-10-30

    Highlights: • Co doped ZnO:Co nanorods were grown by hydrothermal method. • The NO{sub 2} response reaches a maximum value of 88 at 210 °C. • The stability of NO{sub 2} on ZnO is enhanced with the presence of V{sub O}. - Abstract: Highly ordered Co doped ZnO:Co nanorods arrays with Co concentrations of 1.6, 1.9 and 3.1 at% were uniformly grown on FTO glass substrate by hydrothermal method. The X-ray diffraction patterns of the undoped and Co doped ZnO nanorods revealed characteristic peaks of (1 0 0), (0 0 2), (1 0 1), (1 0 3) and (1 1 2), corresponding to the hexagonal wurtzite phase of ZnO. For ZnO:Co nanorods with Co concentrations of 3.1 at%, the NO{sub 2} response reached a maximum value of 88 at temperature of 210 °C. However, the response of ZnO:Co nanorods with Co concentrations of 3.1 at% decreased from 82 to 29 with the increasing of O{sub 2} annealing temperature from 0 to 700 °C. As confirmed by the XPS, PL, Raman and I–V results, the oxygen vacancies and electron concentrations were the dominating effects and an oxygen vacancy mediated NO{sub 2} sensing mechanism was presented and discussed.

  15. Hop-by-HopWorm Propagation with Carryover Epidemic Model in Mobile Sensor Networks

    Directory of Open Access Journals (Sweden)

    Jun-Won Ho

    2015-10-01

    Full Text Available In the internet, a worm is usually propagated in a random multi-hop contact manner. However, the attacker will not likely select this random multi-hop propagation approach in a mobile sensor network. This is because multi-hop worm route paths to random vulnerable targets can be often breached due to node mobility, leading to failure of fast worm spread under this strategy. Therefore, an appropriate propagation strategy is needed for mobile sensor worms. To meet this need, we discuss a hop-by-hop worm propagation model in mobile sensor networks. In a hop-by-hop worm propagation model, benign nodes are infected by worm in neighbor-to-neighbor spread manner. Since worm infection occurs in hop-by-hop contact, it is not substantially affected by a route breach incurred by node mobility. We also propose the carryover epidemic model to deal with the worm infection quota deficiency that might occur when employing an epidemic model in a mobile sensor network. We analyze worm infection capability under the carryover epidemic model. Moreover, we simulate hop-by-hop worm propagation with carryover epidemic model by using an ns-2 simulator. The simulation results demonstrate that infection quota carryovers are seldom observed where a node’s maximum speed is no less than 20 m/s.

  16. Crowding and hopping in a protein’s diffusive transport on DNA

    International Nuclear Information System (INIS)

    Koslover, Elena F; Spakowitz, Andrew J; Díaz de la Rosa, Mario

    2017-01-01

    Diffusion is a ubiquitous phenomenon that impacts virtually all processes that involve random fluctuations, and as such, the foundational work of Smoluchowski has proven to be instrumental in addressing innumerable problems. Here, we focus on a critical biological problem that relies on diffusive transport and is analyzed using a probabilistic treatment originally developed by Smoluchowski. The search of a DNA binding protein for its specific target site is believed to rely on non-specific binding to DNA with transient hops along the chain. In this work, we address the impact of protein crowding along the DNA on the transport of a DNA-binding protein. The crowders dramatically alter the dynamics of the protein while bound to the DNA, resulting in single-file transport that is subdiffusive in nature. However, transient unbinding and hopping results in a long-time behavior (shown to be superdiffusive) that is qualitatively unaffected by the crowding on the DNA. Thus, hopping along the chain mitigates the role that protein crowding has in restricting the translocation dynamics along the chain. The superdiffusion coefficient is influenced by the quantitative values of the effective binding rate, which is influenced by protein crowding. We show that vacancy fraction and superdiffusion coefficient exhibits a non-monotonic relationship under many circumstances. We leverage analytical theory and dynamic Monte Carlo simulations to address this problem. With several additional contributions, the core of our modeling work adopts a reaction-diffusion framework that is based on Smoluchowski’s original work. (paper)

  17. Interplay of Cu and oxygen vacancy in optical transitions and screening of excitons in ZnO:Cu films

    International Nuclear Information System (INIS)

    Darma, Yudi; Rusydi, Andrivo; Seng Herng, Tun; Marlina, Resti; Fauziah, Resti; Ding, Jun

    2014-01-01

    We study room temperature optics and electronic structures of ZnO:Cu films as a function of Cu concentration using a combination of spectroscopic ellipsometry, photoluminescence, and ultraviolet-visible absorption spectroscopy. Mid-gap optical states, interband transitions, and excitons are observed and distinguishable. We argue that the mid-gap states are originated from interactions of Cu and oxygen vacancy (Vo). They are located below conduction band (Zn4s) and above valence band (O2p) promoting strong green emission and narrowing optical band gap. Excitonic states are screened and its intensities decrease upon Cu doping. Our results show the importance of Cu and Vo driving the electronic structures and optical transitions in ZnO:Cu films

  18. Interplay of Cu and oxygen vacancy in optical transitions and screening of excitons in ZnO:Cu films

    Science.gov (United States)

    Darma, Yudi; Seng Herng, Tun; Marlina, Resti; Fauziah, Resti; Ding, Jun; Rusydi, Andrivo

    2014-02-01

    We study room temperature optics and electronic structures of ZnO:Cu films as a function of Cu concentration using a combination of spectroscopic ellipsometry, photoluminescence, and ultraviolet-visible absorption spectroscopy. Mid-gap optical states, interband transitions, and excitons are observed and distinguishable. We argue that the mid-gap states are originated from interactions of Cu and oxygen vacancy (Vo). They are located below conduction band (Zn4s) and above valence band (O2p) promoting strong green emission and narrowing optical band gap. Excitonic states are screened and its intensities decrease upon Cu doping. Our results show the importance of Cu and Vo driving the electronic structures and optical transitions in ZnO:Cu films.

  19. Quasi-two-dimensional electron gas at the epitaxial alumina/SrTiO{sub 3} interface: Control of oxygen vacancies

    Energy Technology Data Exchange (ETDEWEB)

    Kormondy, Kristy J.; Posadas, Agham B.; Demkov, Alexander A., E-mail: demkov@physics.utexas.edu [Department of Physics, University of Texas at Austin, Austin, Texas 78712 (United States); Ngo, Thong Q.; Ekerdt, John G. [Department of Chemical Engineering, University of Texas at Austin, Austin, Texas 78712 (United States); Lu, Sirong; Smith, David J.; McCartney, Martha R. [Department of Physics, Arizona State University, Tempe, Arizona 85287 (United States); Goble, Nicholas; Gao, Xuan P. A. [Department of Physics, Case Western Reserve University, Cleveland, Ohio 44106 (United States); Jordan-Sweet, Jean [IBM T.J. Watson Research Center, Yorktown Heights, New York 10598 (United States)

    2015-03-07

    In this paper, we report on the highly conductive layer formed at the crystalline γ-alumina/SrTiO{sub 3} interface, which is attributed to oxygen vacancies. We describe the structure of thin γ-alumina layers deposited by molecular beam epitaxy on SrTiO{sub 3} (001) at growth temperatures in the range of 400–800 °C, as determined by reflection-high-energy electron diffraction, x-ray diffraction, and high-resolution electron microscopy. In situ x-ray photoelectron spectroscopy was used to confirm the presence of the oxygen-deficient layer. Electrical characterization indicates sheet carrier densities of ∼10{sup 13 }cm{sup −2} at room temperature for the sample deposited at 700 °C, with a maximum electron Hall mobility of 3100 cm{sup 2}V{sup −1}s{sup −1} at 3.2 K and room temperature mobility of 22 cm{sup 2}V{sup −1}s{sup −1}. Annealing in oxygen is found to reduce the carrier density and turn a conductive sample into an insulator.

  20. Fluctuation kinetics of fluorescence hopping quenching in the Nd3+:Y2O3 spherical nanoparticles

    International Nuclear Information System (INIS)

    Orlovskii, Yu.V.; Popov, A.V.; Platonov, V.V.; Fedorenko, S.G.; Sildos, I.; Osipov, V.V.

    2013-01-01

    We study the peculiarities of energy transfer kinetics from the 4 F 3/2 laser level in the Nd 3+ doped Y 2 O 3 spherical nanoparticles of monoclinic phase synthesized by laser ablation of solid targets with subsequent recondensation in flow of air at atmospheric pressure comparing to the similar bulk crystal. We show that the fluorescence quenching in the nanoparticles is determined by two processes depending on Nd 3+ concentration and the degree of dehydration. At concentrations less than 1% the fluorescence quenching is mainly determined by direct (static) quenching by vibrations of OH − molecular groups associated with oxygen vacancies. At concentrations greater than 1 at % quenching is due to energy migration over neodymium ions, followed by the Nd 3+ –OH − quenching. In the latter case, the first time in a solid-state impurity laser medium we observe non-stationary kinetics on the entire length of a time-dependent luminescence quenching, starting from static decay and ending with fluctuation kinetics of fluorescence hopping quenching. -- Highlights: ► We prepare monoclinic Nd 3+ :Y 2 O 3 spherical NPs of mean D=12 nm by laser ablation of solid targets. ► We detect the fluorescence quenching of Nd 3+ the 4 F 3/2 level by vibrations of OH – molecular groups. ► We find that at 0.1% of Nd 3+ the process of static quenching by vibrations of OH – dominates. ► We find that Nd 3+ –Nd 3+ energy migration accelerates the Nd 3+ –OH − quenching at 1% of Nd 3+ . ► We detect non-stationary quenching kinetics ending with fluctuation stage of hopping quenching

  1. Helicobacter pylori HopE and HopV porins present scarce expression among clinical isolates

    Science.gov (United States)

    Lienlaf, Maritza; Morales, Juan Pablo; Díaz, María Inés; Díaz, Rodrigo; Bruce, Elsa; Siegel, Freddy; León, Gloria; Harris, Paul R; Venegas, Alejandro

    2010-01-01

    AIM: To evaluate how widely Helicobacter pylori (H. pylori) HopE and HopV porins are expressed among Chilean isolates and how seroprevalent they are among infected patients in Chile. METHODS: H. pylori hopE and hopV genes derived from strain CHCTX-1 were cloned by polymerase chain reaction (PCR), sequenced and expressed in Escherichia coli AD494 (DE3). Gel-purified porins were used to prepare polyclonal antibodies. The presence of both genes was tested by PCR in a collection of H. pylori clinical isolates and their expression was detected in lysates by immunoblotting. Immune responses against HopE, HopV and other H. pylori antigens in sera from infected and non-infected patients were tested by Western blotting using these sera as first antibody on recombinant H. pylori antigens. RESULTS: PCR and Western blotting assays revealed that 60 and 82 out of 130 Chilean isolates carried hopE and hopV genes, respectively, but only 16 and 9, respectively, expressed these porins. IgG serum immunoreactivity evaluation of 69 H. pylori-infected patients revealed that HopE and HopV were infrequently recognized (8.7% and 10.1% respectively) compared to H. pylori VacA (68.1%) and CagA (59.5%) antigens. Similar values were detected for IgA serum immunoreactivity against HopE (11.6%) and HopV (10.5%) although lower values for VacA (42%) and CagA (17.4%) were obtained when compared to the IgG response. CONCLUSION: A scarce expression of HopE and HopV among Chilean isolates was found, in agreement with the infrequent seroconversion against these antigens when tested in infected Chilean patients. PMID:20082477

  2. Zinc Vacancy Formation and its Effect on the Conductivity of ZnO

    Science.gov (United States)

    Khan, Enamul; Weber, Marc; Langford, Steve; Dickinson, Tom

    2010-03-01

    Exposing single crystal ZnO to 193-nm ArF excimer laser radiation can produce metallic zinc nanoparticles along the surface. The particle production mechanism appears to involve interstitial-vacancy pair formation in the near-surface bulk. Conductivity measurements made with one probe inside the laser spot and the other outside show evidence for rectifying behavior. Positron annihilation spectroscopy confirms the presence of Zn vacancies. We suggest that Zn vacancies are a possible source of p-type behavior in irradiated ZnO. Quadrupole mass spectroscopy shows that both oxygen and zinc are emitted during irradiation. Electron-hole pair production has previously been invoked to account for particle desorption from ZnO during UV illumination. Our results suggest that preexisting and laser-generated defects play a critical role in particle desorption and Zn vacancy formation.

  3. Vacancy defects in epitaxial La0.7Sr0.3MnO3 thin films probed by a slow positron beam

    International Nuclear Information System (INIS)

    Jin, S W; Zhou, X Y; Wu, W B; Zhu, C F; Weng, H M; Wang, H Y; Zhang, X F; Ye, B J; Han, R D

    2004-01-01

    Vacancy defects in epitaxial La 0.7 Sr 0.3 MnO 3 (LSMO) thin films on LaAlO 3 substrates were detected using a variable energy positron beam. The line-shape S parameter of the epitaxial thin films deposited at different oxygen pressures was measured as a function of the implanting positron energy E. Our results show that the S parameter of the films changes non-monotonically with their deposition oxygen pressures. For the films deposited at lower oxygen pressures, the increase in S value in the films is attributed to the increase in oxygen vacancies and/or related defect-V O complexes, and for those deposited at higher oxygen pressures, the larger S parameter of the films is caused by the grain boundaries and/or metallic ion vacancies. The surface morphology of the films was also characterized to analyse the open volume defects in the LSMO films

  4. An oxygen-vacancy-rich Z-scheme g-C3N4/Pd/TiO2 heterostructure for enhanced visible light photocatalytic performance

    Science.gov (United States)

    Guo, Yanru; Xiao, Limin; Zhang, Min; Li, Qiuye; Yang, Jianjun

    2018-05-01

    An oxygen-vacancy-rich Z-scheme g-C3N4/Pd/TiO2 ternary nanocomposite was fabricated using nanotubular titanic acid as precursors via a simple photo-deposition of Pd nanoparticles and calcination process. The prepared nanocomposites were investigated by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and UV-visible diffuse reflectance spectroscopy, respectively. For g-C3N4/TiO2 binary nanocomposites, at the optimal content of g-C3N4 (2%), the apparent photocatalytic activity of 2%g-C3N4/TiO2 was 9 times higher than that of pure TiO2 under visible-light illumination. After deposition of Pd (1 wt%) at the contact interface between g-C3N4 and TiO2, the 2%g-C3N4/Pd/TiO2 ternary nanocomposites demonstrated the highest visible-light-driven photocatalytic activity for the degradation of gaseous propylene, which was 16- and 2-fold higher activities than pure TiO2 and 2%g-C3N4/TiO2, respectively. The mechanism for the enhanced photocatalytic performance of the g-C3N4/Pd/TiO2 photo-catalyst is proposed to be based on the efficient separation of photo-generated electron-hole pairs through Z-scheme system, in which uniform dispersity of Pd nanoparticles at contact interface between g-C3N4 and TiO2 and oxygen vacancies promote charge separation.

  5. Effect of oxygen vacancy and dopant concentration on the magnetic properties of high spin Co2+ doped TiO2 nanoparticles

    International Nuclear Information System (INIS)

    Choudhury, B.; Choudhury, A.; Maidul Islam, A.K.M.; Alagarsamy, P.; Mukherjee, M.

    2011-01-01

    Co doped TiO 2 nanoparticles have been synthesized by a simple sol-gel route taking 7.5, 9.5 and 10.5 mol% of cobalt concentration. Formation of nanoparticles is confirmed by XRD and TEM. Increase in d-spacing occurs for (0 0 4) and (2 0 0) peak with increase in impurity content. Valence states of Co and its presence in the doped material is confirmed by XPS and EDX. The entire vacuum annealed samples show weak ferromagnetism. Increased magnetization is found for 9.5 mol% but this value again decreases for 10.5 mol% due to antiferromagnetic interactions. A blocking temperature of 37.9 K is obtained, which shows shifting to high temperature as the dopant concentration is increased. The air annealed sample shows only paramagnetic behavior. Temperature dependent magnetic measurements for the air annealed sample shows antiferromagnetic behavior with a Curie-Weiss temperature of -16 K. Here we report that oxygen vacancy and cobalt aggregates are a key factor for inducing ferromagnetism-superparamagnetism in the vacuum annealed sample. Appearance of negative Curie-Weiss temperature reveals the presence of antiferromagnetic Co 3 O 4 , which is the oxidation result of metallic Co or cobalt clusters present on the host TiO 2 . - Research highlights: → Oxygen vacancy induces ferromagnetism in cobalt doped anatase TiO2 nanoparticles. → On air annealing the sample loses ferromagnetism giving rise to paramagnetism. → Saturation magnetization decreases at higher doping concentration. → Blocking of magnetic moment occurs due to the presence of cobalt clusters.

  6. Vacancy-type defects induced by grinding of Si wafers studied by monoenergetic positron beams

    Energy Technology Data Exchange (ETDEWEB)

    Uedono, Akira; Yoshihara, Nakaaki [Division of Applied Physics, Faculty of Pure and Applied Science, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Mizushima, Yoriko [Devices and Materials Labs Fujitsu Laboratories Ltd., Atsugi, Kanagawa 243-0197 (Japan); ICE Cube Center, Tokyo Institute of Technology, Yokohama 226-8503 (Japan); Kim, Youngsuk [ICE Cube Center, Tokyo Institute of Technology, Yokohama 226-8503 (Japan); Disco Corporation, Ota, Tokyo 143-8580 (Japan); Nakamura, Tomoji [Devices and Materials Labs Fujitsu Laboratories Ltd., Atsugi, Kanagawa 243-0197 (Japan); Ohba, Takayuki [ICE Cube Center, Tokyo Institute of Technology, Yokohama 226-8503 (Japan); Oshima, Nagayasu; Suzuki, Ryoichi [Research Institute of Instrumentation Frontier, National Institute of Advanced Industrial Science and Technology, Tsukuba, Ibaraki 305-8568 (Japan)

    2014-10-07

    Vacancy-type defects introduced by the grinding of Czochralski-grown Si wafers were studied using monoenergetic positron beams. Measurements of Doppler broadening spectra of the annihilation radiation and the lifetime spectra of positrons showed that vacancy-type defects were introduced in the surface region (<98 nm), and the major defect species were identified as (i) relatively small vacancies incorporated in dislocations and (ii) large vacancy clusters. Annealing experiments showed that the defect concentration decreased with increasing annealing temperature in the range between 100 and 500°C. After 600–700°C annealing, the defect-rich region expanded up to about 170 nm, which was attributed to rearrangements of dislocation networks, and a resultant emission of point defects toward the inside of the sample. Above 800°C, the stability limit of those vacancies was reached and they started to disappear. After the vacancies were annealed out (900°C), oxygen-related defects were the major point defects and they were located at <25 nm.

  7. Mobility-electron density relation probed via controlled oxygen vacancy doping in epitaxial BaSnO3

    Directory of Open Access Journals (Sweden)

    Koustav Ganguly

    2017-05-01

    Full Text Available The recently discovered high room temperature mobility in wide band gap semiconducting BaSnO3 is of exceptional interest for perovskite oxide heterostructures. Critical open issues with epitaxial films include determination of the optimal dopant and understanding the mobility-electron density (μ-n relation. These are addressed here through a transport study of BaSnO3(001 films with oxygen vacancy doping controlled via variable temperature vacuum annealing. Room temperature n can be tuned from 5 × 1019 cm−3 to as low as 2 × 1017 cm−3, which is shown to drive a weak- to strong-localization transition, a 104-fold increase in resistivity, and a factor of 28 change in μ. The data reveal μ ∝ n0.65 scaling over the entire n range probed, important information for understanding mobility-limiting scattering mechanisms.

  8. Positron annihilation study of vacancy-type defects in fast-neutron-irradiated MgO·nAl2O3

    International Nuclear Information System (INIS)

    Rahman, Abu Zayed Mohammad Saliqur; Li, Zhuoxin; Cao, Xingzhong; Wang, Baoyi; Wei, Long; Xu, Qiu; Atobe, Kozo

    2014-01-01

    Highlights: •Detection of Al monovacancy by positron lifetime spectroscopy in fast neutron-irradiated MgO·nAl 2 O 3 (n=2). •Concentration of defects is also estimated for Al monovacancy. •O atom peak was observed by using coincidence Doppler broadening spectroscopy. -- Abstract: The positron lifetimes of fast-neutron-irradiated MgO·nAl 2 O 3 single crystals were measured to investigate the formation of cation vacancies. Al monovacancy was possibly observed in samples irradiated by fast neutrons at ultra-low temperatures. Additionally, vacancy-oxygen complex centers were possibly observed in samples irradiated at higher temperatures and fast neutron fluences. Coincidence Doppler broadening (CDB) spectra were measured to obtain information regarding the vicinity of vacancy-type defects. A peak at approximately 11 × 10 −3 m 0 c was observed, which may be due to the presence of oxygen atoms in the neighborhood of the vacancies

  9. Perceived bitterness character of beer in relation to hop variety and the impact of hop aroma.

    Science.gov (United States)

    Oladokun, Olayide; James, Sue; Cowley, Trevor; Dehrmann, Frieda; Smart, Katherine; Hort, Joanne; Cook, David

    2017-09-01

    The impact of hop variety and hop aroma on perceived beer bitterness intensity and character was investigated using analytical and sensory methods. Beers made from malt extract were hopped with 3 distinctive hop varieties (Hersbrucker, East Kent Goldings, Zeus) to achieve equi-bitter levels. A trained sensory panel determined the bitterness character profile of each singly-hopped beer using a novel lexicon. Results showed different bitterness character profiles for each beer, with hop aroma also found to change the hop variety-derived bitterness character profiles of the beer. Rank-rating evaluations further showed the significant effect of hop aroma on selected key bitterness character attributes, by increasing perceived harsh and lingering bitterness, astringency, and bitterness intensity via cross-modal flavour interactions. This study advances understanding of the complexity of beer bitterness perception by demonstrating that hop variety selection and hop aroma both impact significantly on the perceived intensity and character of this key sensory attribute. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Interaction of nitrogen with vacancy defects in N+-implanted ZnO studied using a slow positron beam

    International Nuclear Information System (INIS)

    Chen, Z.Q.; Maekawa, M.; Kawasuso, A.; Suzuki, R.; Ohdaira, T.

    2005-01-01

    ZnO crystals were implanted with N + , O + , and Al + , and co-implanted with O + /N + and Al + /N + ions. Positron annihilation measurements indicate introduction of vacancy clusters upon implantation. In the N + -implanted and Al + /N + co-implanted samples, these vacancy clusters are only partially annealed at 800 deg. C, as compared with their entire recovery in the O + - and Al + -implanted samples at 800-900 deg. C, suggesting a strong interaction between nitrogen and vacancy clusters. However, in the O + /N + co-implanted sample, most vacancy clusters disappear at 800 deg. C. Probably oxygen scavenges nitrogen to enhance the annealing of the vacancy clusters. Upon further annealing at 1000-1100 deg. C, nitrogen also forms stable complexes with thermally generated vacancies. These nitrogen-related vacancy complexes need high-temperature annealing at 1200-1250 deg. C to be fully removed

  11. Wheeled hopping robot

    Science.gov (United States)

    Fischer, Gary J [Albuquerque, NM

    2010-08-17

    The present invention provides robotic vehicles having wheeled and hopping mobilities that are capable of traversing (e.g. by hopping over) obstacles that are large in size relative to the robot and, are capable of operation in unpredictable terrain over long range. The present invention further provides combustion powered linear actuators, which can include latching mechanisms to facilitate pressurized fueling of the actuators, as can be used to provide wheeled vehicles with a hopping mobility.

  12. Adsorption and magnetism of bilayer graphene on the MnO polar surface with oxygen vacancies in the interface: First principles study

    Science.gov (United States)

    Ilyasov, Victor V.; Ershov, Igor V.; Popova, Inna G.; Pham, Khang D.; Nguyen, Chuong V.

    2018-05-01

    In this paper, we investigate systematically the structural, electronic, magnetic and adsorption properties of Bernal-stacked bilayer graphene on MnO(111) surface terminated by an oxygen atom, as a function of nonstoichiometric composition of the BLG/MnOx(111) interface. For additional functionalization of the BLG/MnOx(111) system, we also studied the adsorption properties of oxygen adsorbed on the BLG/MnOx(111) interface. Our results showed that the BLG is bound to the MnOx(111) substrate by the weak interaction for both spin-up and spin-down. Furthermore, we found that BLG adsorbed on the MnOx(111) substrate with a reduced oxygen symmetry in the interface is accompanied with a downshift of the Fermi level, which identifies the band structure of BLG as a p-type semiconductor. Upon interaction between BLG and MnOx(111) substrate, a forbidden gap of about 350 meV was opened between its bonding and antibonding π bands. A forbidden gap and the local magnetic moments in bilayer graphene can be controlled by changing the oxygen nonstoichometry or by oxygen adsorption. Additionally, magnetism has been predicted in the bilayer graphene adsorbed on the polar MnOx(111) surface with oxygen vacancies in the BLG/MnOx(111) interface, and its nature has also been discussed in this work. These results showed that the adsorption of bilayer graphene on the MnO(111) substrate can be used for developing novel generation of electronic and spintronic devices.

  13. Benign Synthesis of Black Microspheres of Anatase TiO2 with Paramagnetic Oxygen Vacancies through NH3 Treatment.

    Science.gov (United States)

    Maqbool, Qysar; Srivastava, Aasheesh

    2017-10-09

    Coloured TiO 2 is coveted for its ability to extract energy from the visible region of electromagnetic spectrum. Here a facile synthesis of black anatase titania microspheres (B-TiO 2 ) through a two-step process is reported. In the first step, amorphous white TiO 2 microspheres (W-TiO 2 ) are obtained by hydrolysing titanium tetraisopropoxide by ammonia vapours in ethanol. In the second step, the W-TiO 2 is thermally annealed at 500 °C to obtain B-TiO 2 . The diffuse reflectance analysis showed that B-TiO 2 absorbs across visible spectrum with absorption extending well into NIR region. Raman scattering together with EPR analysis showed compelling evidence of the existence of oxygen deficiency within the crystal in B-TiO 2 that induces black colouration in the sample. The defects present in the black anatase sample were confirmed to be single-electron-trapped (or paramagnetic) oxygen vacancies (V o ⋅) by XPS and EPR studies. The magnetic susceptibility studies showed existence of antiferromagnetic interactions between these unpaired electron spins. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Sc and Nb Dopants in SrCoO3 Modulate Electronic and Vacancy Structures for Improved Water Splitting and SOFC Cathodes

    KAUST Repository

    Tahini, Hassan A.; Tan, Xin; Zhou, Wei; Zhu, Zhonghua; Schwingenschlö gl, Udo; Smith, Sean C.

    2017-01-01

    SrCoO3 is a promising material in the field of electrocatalysis. Difficulties in synthesising the material in its cubic phase have been overcome by doping it with Sc and Nb ions [Mater. Horiz.2015, 2, 495–501]. Using ab initio calculations and special quasi random structures we undertake a systematic study of these dopants in order to elucidate the effect of doping on electronic structure of the SrCoO3 host and the formation of oxygen vacancies. We find that while the overall electronic structure of SrCoO3 is preserved, increasing the Sc fraction leads to a decrease of electrical conductivity, in agreement with earlier experimental work. For low Sc and Nb doping fractions we find that the oxygen vacancy formation increases relative to undoped SrCoO3. However, as the dopants concentration is increased the vacancy formation energy drops significantly, indicating a strong tendency to accommodate high concentration of oxygen vacancies and hence non-stoichiometry. This is explained based on the electronic instabilities caused by the presence of Sc ions which weakens the B-O interactions as well as the increased degree of electron delocalization on the oxygen sublattice. Sc dopants also shift the p-band centre closer to the Fermi level, which can be associated with experimentally reported improvements in oxygen evolution reactions. These findings provide crucial baseline information for the design of better electrocatalysts for oxygen evolution reactions as well as fuel-cell cathode materials.

  15. Sc and Nb Dopants in SrCoO3 Modulate Electronic and Vacancy Structures for Improved Water Splitting and SOFC Cathodes

    KAUST Repository

    Tahini, Hassan A.

    2017-01-12

    SrCoO3 is a promising material in the field of electrocatalysis. Difficulties in synthesising the material in its cubic phase have been overcome by doping it with Sc and Nb ions [Mater. Horiz.2015, 2, 495–501]. Using ab initio calculations and special quasi random structures we undertake a systematic study of these dopants in order to elucidate the effect of doping on electronic structure of the SrCoO3 host and the formation of oxygen vacancies. We find that while the overall electronic structure of SrCoO3 is preserved, increasing the Sc fraction leads to a decrease of electrical conductivity, in agreement with earlier experimental work. For low Sc and Nb doping fractions we find that the oxygen vacancy formation increases relative to undoped SrCoO3. However, as the dopants concentration is increased the vacancy formation energy drops significantly, indicating a strong tendency to accommodate high concentration of oxygen vacancies and hence non-stoichiometry. This is explained based on the electronic instabilities caused by the presence of Sc ions which weakens the B-O interactions as well as the increased degree of electron delocalization on the oxygen sublattice. Sc dopants also shift the p-band centre closer to the Fermi level, which can be associated with experimentally reported improvements in oxygen evolution reactions. These findings provide crucial baseline information for the design of better electrocatalysts for oxygen evolution reactions as well as fuel-cell cathode materials.

  16. Effect of oxygen vacancies on magnetic and transport properties of Sr2IrO4

    Science.gov (United States)

    Dwivedi, Vinod Kumar; Mukhopadhyay, Soumik

    2018-05-01

    Iridates have recently attracted growing interest because of their potential for realizing various interesting phases like interaction driven Mott-type insulator and magnetically driven Slater-type. In this paper, we present the magnetic and electrical transport properties of polycrystalline Sr2IrO4 synthesized by solid state reaction route. We find a ferromagnetic transition at 240 K. The Curie-Weiss law behavior hold good above the magnetic transition temperature TMag = 240 K with a small effective paramagnetic magnetic moment μeff = 0.25 µB/f.u. and a Curie-Weiss temperature, θCW = +100 K. Zero field cooled (ZFC) magnetization shows a gradual dcrease below 150 K, while same for field cooled (FC) below 50 K. Interestingly, below temperatures, ⁓ 10 K, a sharp increase in ZFC and FC magnetization can be seen. A temperature dependent resistivity reveals insulating behavior followed by power law mechanism. The sintering of sample in air leads to the very low value of resistivity is likely related to Sr or oxygen vacancies.

  17. Electric-Field Control of Oxygen Vacancies and Magnetic Phase Transition in a Cobaltite/Manganite Bilayer

    Science.gov (United States)

    Cui, B.; Song, C.; Li, F.; Zhong, X. Y.; Wang, Z. C.; Werner, P.; Gu, Y. D.; Wu, H. Q.; Saleem, M. S.; Parkin, S. S. P.; Pan, F.

    2017-10-01

    Manipulation of oxygen vacancies (VO ) in single oxide layers by varying the electric field can result in significant modulation of the ground state. However, in many oxide multilayers with strong application potentials, e.g., ferroelectric tunnel junctions and solid-oxide fuel cells, understanding VO behavior in various layers under an applied electric field remains a challenge, owing to complex VO transport between different layers. By sweeping the external voltage, a reversible manipulation of VO and a corresponding fixed magnetic phase transition sequence in cobaltite/manganite (SrCoO3 -x/La0.45Sr0.55MnO3 -y ) heterostructures are reported. The magnetic phase transition sequence confirms that the priority of electric-field-induced VO formation or annihilation in the complex bilayer system is mainly determined by the VO formation energies and Gibbs free-energy differences, which is supported by theoretical analysis. We not only realize a reversible manipulation of the magnetic phase transition in an oxide bilayer but also provide insight into the electric-field control of VO engineering in heterostructures.

  18. Electron diffraction study of the sillenites Bi12SiO20, Bi25FeO39 and Bi25InO39: Evidence of short-range ordering of oxygen-vacancies in the trivalent sillenites

    Directory of Open Access Journals (Sweden)

    Craig A. Scurti

    2014-08-01

    Full Text Available We present an electron diffraction study of three sillenites, Bi12SiO20, Bi25FeO39, and Bi25InO39 synthesized using the solid-state method. We explore a hypothesis, inspired by optical studies in the literature, that suggests that trivalent sillenites have additional disorder not present in the tetravalent compounds. Electron diffraction patterns of Bi25FeO39 and Bi25InO39 show streaks that confirm deviations from the ideal sillenite structure. Multi-slice simulations of electron-diffraction patterns are presented for different perturbations to the sillenite structure - partial substitution of the M site by Bi3+, random and ordered oxygen-vacancies, and a frozen-phonon model. Although comparison of experimental data to simulations cannot be conclusive, we consider the streaks as evidence of short-range ordered oxygen-vacancies.

  19. Hexagonal perovskites with cationic vacancies. 29. Structure of Ba/sub 4/ScReWvacantO/sub 12/ - on the function of octahedral cationic vacancies in perovskite stacking polytypes

    Energy Technology Data Exchange (ETDEWEB)

    Kemmler-Sack, S; Herrmann, M [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

    1981-09-01

    The hexagonal perovskite stacking polytype Ba/sub 4/ScReWvacantO/sub 12/ crystallizes in a rhombohedral 12 L structure (space group R-3m; sequence (hhcc)/sub 3/). The refined, intensity related R' value is 6.6%. The octahedral net consists of blocks of three face connected octahedra with a central vacancy, in the two outer positions the rhenium and tungsten atoms are located; these units are linked via common corners by single octahedra, occupied with scandium. The construction principles of hexagonal oxygen perovskites with octahedral, cationic vacancies are reported.

  20. Characterization of oxygen vacancies and their migration in Ba-doped Pb(Zr0.52Ti0.48)O3 ferroelectrics

    Science.gov (United States)

    Zhang, M. F.; Wang, Y.; Wang, K. F.; Zhu, J. S.; Liu, J.-M.

    2009-03-01

    We investigate in detail the migration kinetics of oxygen vacancies (OVs) in Ba-doped Pb(Zr0.52Ti0.48)O3 (PZT) ferroelectrics by complex impedance spectroscopy. The temperature dependent dc-electrical conductivity σdc suggests that Ba doping into PZT can lower significantly the density of OVs, leading to the distinctly decreased σdc and slightly enhanced activation energy U for the migration of OVs, thus benefiting the polarization fatigue resistance. Furthermore, the polarization fluctuation induced by the relaxation of OVs is reduced by the Ba doping. The Cole-Cole fitting to the dielectric loss manifests strong correlation among OVs, and the migration of OVs appears to be a collective behavior.

  1. A first-principles study of oxygen vacancy induced changes in structural, electronic and magnetic properties of La{sub 2/3}Sr{sub 1/3}MnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jia [Division of Materials Science, Nanyang Technological University, Singapore, 639798 (Singapore); Sun, Lizhong [Division of Materials Science, Nanyang Technological University, Singapore, 639798 (Singapore); Laboratory for Quantum Engineering and Micro-Nano Energy Technology, Xiangtan University, Xiangtan, Hunan, 411105 (China); Shenai, Prathamesh M.; Wang, Junling [Division of Materials Science, Nanyang Technological University, Singapore, 639798 (Singapore); Zheng, Hang [Department of Physics, Shanghai Jiao Tong University, 800 Dong Chuan Road, Shanghai, 200240 (China); Zhao, Yang, E-mail: YZhao@ntu.edu.sg [Division of Materials Science, Nanyang Technological University, Singapore, 639798 (Singapore)

    2015-11-15

    We have systematically assessed the influence of oxygen vacancy defects on the structural, electronic and magnetic properties of La{sub 2/3}Sr{sub 1/3}MnO{sub 3} via first-principles calculations using the bare GGA as well as the GGA + U formalism. The on-site Coulombic repulsion parameter U for Mn 3d orbital in the latter has been determined by the linear response theory. It is revealed that the introduction of the vacancy defects causes prominent structural changes in the microenvironment of a defect including the distortions of MnO{sub 6} octahedra. In contrast to the general notion, the GGA + U formalism is found to yield significantly more prominent structural changes than the bare GGA method. The octahedral distortion leads to a strengthening or weakening of the hybridization between Mn 3d and O 2p orbitals depending upon an increase or decrease, respectively, in the Mn–O distances as compared to the pristine system. The magnetic moments of the Mn atoms located in three typical sites of the vacancy-containing supercell are all larger than those in the pristine system. This enhancement for the Mn atoms located in the first- and third-nearest neighboring MnO{sub 6} octahedra of the vacancy defect originates from the electron transfer from 4s/3p to 3d orbitals. On the other hand, for the Mn atom located in the first-nearest neighboring site of the vacancy it is attributed to the increased total number of electrons in 3d orbitals due to the absence of one Mn–O bond. Furthermore, we have characterized the O-vacancy defect as a hole-type defect that forms a negative charge center, attracting electrons. - Highlights: • GGA + U calculations reveal effect of O-vacancy on properties of La{sub 1−1/3}Sr{sub 1/3}MnO{sub 3.} • Value of U = 5.9 eV calculated for Mn 3d orbitals from the linear response theory. • O-vacancy causes prominent distortions of MnO{sub 6} octahedra. • Octahedral distortions modulate electronic and magnetic properties of LSMO.

  2. Physical properties and band structure of reactive molecular beam epitaxy grown oxygen engineered HfO{sub 2{+-}x}

    Energy Technology Data Exchange (ETDEWEB)

    Hildebrandt, Erwin; Kurian, Jose; Alff, Lambert [Institute of Materials Science, Technische Universitaet Darmstadt, 64287 Darmstadt (Germany)

    2012-12-01

    We have conducted a detailed thin film growth structure of oxygen engineered monoclinic HfO{sub 2{+-}x} grown by reactive molecular beam epitaxy. The oxidation conditions induce a switching between (111) and (002) texture of hafnium oxide. The band gap of oxygen deficient hafnia decreases with increasing amount of oxygen vacancies by more than 1 eV. For high oxygen vacancy concentrations, defect bands form inside the band gap that induce optical transitions and p-type conductivity. The resistivity changes by several orders of magnitude as a function of oxidation conditions. Oxygen vacancies do not give rise to ferromagnetic behavior.

  3. High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO3 perovskites

    Science.gov (United States)

    Emery, Antoine A.; Wolverton, Chris

    2017-10-01

    ABO3 perovskites are oxide materials that are used for a variety of applications such as solid oxide fuel cells, piezo-, ferro-electricity and water splitting. Due to their remarkable stability with respect to cation substitution, new compounds for such applications potentially await discovery. In this work, we present an exhaustive dataset of formation energies of 5,329 cubic and distorted perovskites that were calculated using first-principles density functional theory. In addition to formation energies, several additional properties such as oxidation states, band gap, oxygen vacancy formation energy, and thermodynamic stability with respect to all phases in the Open Quantum Materials Database are also made publicly available. This large dataset for this ubiquitous crystal structure type contains 395 perovskites that are predicted to be thermodynamically stable, of which many have not yet been experimentally reported, and therefore represent theoretical predictions. The dataset thus opens avenues for future use, including materials discovery in many research-active areas.

  4. Positron annihilation study of vacancy-type defects in fast-neutron-irradiated MgO·nAl{sub 2}O{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Rahman, Abu Zayed Mohammad Saliqur, E-mail: zayed82000@yahoo.com [Key Laboratory of Nuclear Analytical Techniques, Institute of High Energy Physics, Chinese Academy of Sciences, 19B Yuquanlu Shijingshan District, Beijing 100049 (China); Li, Zhuoxin; Cao, Xingzhong; Wang, Baoyi; Wei, Long [Key Laboratory of Nuclear Analytical Techniques, Institute of High Energy Physics, Chinese Academy of Sciences, 19B Yuquanlu Shijingshan District, Beijing 100049 (China); Xu, Qiu [Reactor Research Institute, Kyoto University 2, Asashiro-Nishi, Kumatori-cho, Sennan-gun, Osaka 590-0494 (Japan); Atobe, Kozo [Nuclear Safety Technology Center, 9-15, 1-chome, Utsubohonmachi, Nishi Ku, Osaka 550-0004 (Japan)

    2014-09-15

    Highlights: •Detection of Al monovacancy by positron lifetime spectroscopy in fast neutron-irradiated MgO·nAl{sub 2}O{sub 3}(n=2). •Concentration of defects is also estimated for Al monovacancy. •O atom peak was observed by using coincidence Doppler broadening spectroscopy. -- Abstract: The positron lifetimes of fast-neutron-irradiated MgO·nAl{sub 2}O{sub 3} single crystals were measured to investigate the formation of cation vacancies. Al monovacancy was possibly observed in samples irradiated by fast neutrons at ultra-low temperatures. Additionally, vacancy-oxygen complex centers were possibly observed in samples irradiated at higher temperatures and fast neutron fluences. Coincidence Doppler broadening (CDB) spectra were measured to obtain information regarding the vicinity of vacancy-type defects. A peak at approximately 11 × 10{sup −3} m{sub 0}c was observed, which may be due to the presence of oxygen atoms in the neighborhood of the vacancies.

  5. Magnetoresistance Versus Oxygen Deficiency in Epi-stabilized SrRu1 - x Fe x O3 - δ Thin Films

    Science.gov (United States)

    Dash, Umasankar; Acharya, Susant Kumar; Lee, Bo Wha; Jung, Chang Uk

    2017-03-01

    Oxygen vacancies have a profound effect on the magnetic, electronic, and transport properties of transition metal oxide materials. Here, we studied the influence of oxygen vacancies on the magnetoresistance (MR) properties of SrRu1 - x Fe x O3 - δ epitaxial thin films ( x = 0.10, 0.20, and 0.30). For this purpose, we synthesized highly strained epitaxial SrRu1 - x Fe x O3 - δ thin films with atomically flat surfaces containing different amounts of oxygen vacancies using pulsed laser deposition. Without an applied magnetic field, the films with x = 0.10 and 0.20 showed a metal-insulator transition, while the x = 0.30 thin film showed insulating behavior over the entire temperature range of 2-300 K. Both Fe doping and the concentration of oxygen vacancies had large effects on the negative MR contributions. For the low Fe doping case of x = 0.10, in which both films exhibited metallic behavior, MR was more prominent in the film with fewer oxygen vacancies or equivalently a more metallic film. For semiconducting films, higher MR was observed for more semiconducting films having more oxygen vacancies. A relatively large negative MR ( 36.4%) was observed for the x = 0.30 thin film with a high concentration of oxygen vacancies ( δ = 0.12). The obtained results were compared with MR studies for a polycrystal of (Sr1 - x La x )(Ru1 - x Fe x )O3. These results highlight the crucial role of oxygen stoichiometry in determining the magneto-transport properties in SrRu1 - x Fe x O3 - δ thin films.

  6. Nature of oxygen donors and radiation defects in oxygen-doped germanium

    International Nuclear Information System (INIS)

    Fukuoka, Noboru; Atobe, Kozo; Honda, Makoto; Matsuda, Koji.

    1991-01-01

    The nature of oxygen donors and radiation defects in oxygen-doped germanium were studied through measurements of the infrared absorption spectrum, deep level transient spectroscopy spectrum and carrier concentration. It is revealed that a new donor is not formed in oxygen-doped germanium. An A-center (interstitial oxygen-vacancy pair) forms a complex with a thermal donor in its annealing stage at 60degC-140degC. The introduction rate of defects by 1.5 MeV electron irradiation was enhanced in thermal-donor-doped samples. (author)

  7. Modulation of resistive switching characteristics for individual BaTiO3 microfiber by surface oxygen vacancies

    Science.gov (United States)

    Miao, Zhilei; Chen, Lei; Zhou, Fang; Wang, Qiang

    2018-01-01

    Different from traditional thin-film BaTiO3 (BTO) RRAM device with planar structure, individual microfiber-shaped RRAM device, showing promising application potentials in the micro-sized non-volatile memory system, has not been investigated so far to demonstrate resistive switching behavior. In this work, individual sol-gel BTO microfiber has been formed using the draw-bench method, followed by annealing in different atmospheres of air and argon, respectively. The resistive switching characteristics of the individual BTO microfiber have been investigated by employing double-probe SEM measurement system, which shows great convenience to test local electrical properties by modulating the contact sites between the W probes and the BTO microfiber. For the sample annealed in air, the average resistive ON/OFF ratio is as high as 108, enhanced about four orders in comparison with the counterpart that annealed in Argon. For the sample annealed in argon ambience, the weakened resistive ON/OFF ratio can be attributed to the increased presence of oxygen vacancies in the surface of BTO fibers, and the underlying electrical conduction mechanisms are also discussed.

  8. Density functional study on the heterogeneous oxidation of NO over α-Fe_2O_3 catalyst by H_2O_2: Effect of oxygen vacancy

    International Nuclear Information System (INIS)

    Song, Zijian; Wang, Ben; Yu, Jie; Ma, Chuan; Zhou, Changsong; Chen, Tao; Yan, Qianqian; Wang, Ke; Sun, Lushi

    2017-01-01

    Highlights: • NO and H_2O_2 adsorption on perfect and oxygen defect α-Fe_2O_3 (0 0 1) surface were studied by DFT calculations. • H_2O_2 shows high chemical reactivity for its adsorption on oxygen defect α-Fe_2O_3 (0 0 1) surface. • Oxygen vacancy plays an important role of the catalytic oxidation of NO by H_2O_2 over the α-Fe_2O_3 catalyst surfaces. • Mechanism of NO oxidation over α-Fe_2O_3 (0 0 1) surface by H_2O_2 was explained. - Abstract: Catalytic oxidation with H_2O_2 is a promising method for NOx emission control in coal-fired power plants. Hematite-based catalysts are attracting increased attention because of their surface redox reactivity. To elucidate the NO oxidation mechanism on α-Fe_2O_3 surfaces, density functional theory (DFT) calculations were conducted by investigating the adsorption characteristics of nitric oxide (NO) and hydrogen peroxide (H_2O_2) on perfect and oxygen defect α-Fe_2O_3 (0 0 1) surfaces. Results show that NO was molecularly adsorbed on two kinds of surfaces. H_2O_2 adsorption on perfect surface was also in a molecular form; however, H_2O_2 dissociation occurred on oxygen defect α-Fe_2O_3 (0 0 1) surface. The adsorption intensities of the two gas molecules in perfect α-Fe_2O_3 (0 0 1) surface followed the order NO > H_2O_2, and the opposite was true for the oxygen defect α-Fe_2O_3 (0 0 1). Oxygen vacancy remarkably enhanced the adsorption intensities of NO and H_2O_2 and promoted H_2O_2 decomposition on catalyst surface. As an oxidative product of NO, HNO_2 was synthesized when NO and H_2O_2 co-adsorbed on the oxygen defect α-Fe_2O_3 (0 0 1) surface. Analyses of Mulliken population, electron density difference, and partial density of states showed that H_2O_2 decomposition followed the Haber–Weiss mechanism. The trends of equilibrium constants suggested that NO adsorption on α-Fe_2O_3 (0 0 1) surface was more favorable at low than at high temperatures, whereas H_2O_2 adsorption was favorable between 375 and

  9. The Pseudomonas syringae type III effector HopG1 targets mitochondria, alters plant development, and suppresses plant innate immunity

    Science.gov (United States)

    Block, Anna; Guo, Ming; Li, Guangyong; Elowsky, Christian; Clemente, Thomas E.; Alfano, James R.

    2009-01-01

    Summary The bacterial plant pathogen Pseudomonas syringae uses a type III protein secretion system to inject type III effectors into plant cells. Primary targets of these effectors appear to be effector-triggered immunity (ETI) and pathogen-associated molecular pattern (PAMP)-triggered immunity (PTI). The type III effector HopG1 is a suppressor of ETI that is broadly conserved in bacterial plant pathogens. Here we show that HopG1 from P. syringae pv. tomato DC3000 also suppresses PTI. Interestingly, HopG1 localizes to plant mitochondria, suggesting that its suppression of innate immunity may be linked to a perturbation of mitochondrial function. While HopG1 possesses no obvious mitochondrial signal peptide, its N-terminal two-thirds was sufficient for mitochondrial localization. A HopG1-GFP fusion lacking HopG1’s N-terminal 13 amino acids was not localized to the mitochondria reflecting the importance of the N-terminus for targeting. Constitutive expression of HopG1 in Arabidopsis thaliana, Nicotiana tabacum (tobacco) and Lycopersicon esculentum (tomato) dramatically alters plant development resulting in dwarfism, increased branching and infertility. Constitutive expression of HopG1 in planta leads to reduced respiration rates and an increased basal level of reactive oxygen species. These findings suggest that HopG1’s target is mitochondrial and that effector/target interaction promotes disease by disrupting mitochondrial functions. PMID:19863557

  10. Tuning the electronic structure of SrTiO3/SrFeO3−x superlattices via composition and vacancy control

    Directory of Open Access Journals (Sweden)

    Robert F. Berger

    2014-04-01

    Full Text Available Using density functional theory-based calculations, we explore the effects of oxygen vacancies and epitaxial layering on the atomic, magnetic, and electronic structure of (SrTiO3n(SrFeO3−x1 superlattices. While structures without oxygen vacancies (x = 0 possess small or non-existent band gaps and ferromagnetic ordering in their iron layers, those with large vacancy concentrations (x = 0.5 have much larger gaps and antiferromagnetic ordering. Though the computed gaps depend numerically on the delicate energetic balance of vacancy ordering and on the value of Hubbard U eff used in the calculations, we demonstrate that changes in layering can tune the band gaps of these superlattices below that of SrTiO3 (3.2 eV by raising their valence band maxima. This suggests the possibility that these superlattices could absorb in the solar spectrum, and could serve as water-splitting photocatalysts.

  11. Application of Electron Structure Calculations to the Migration of Oxygen through a Perovskite Membrane

    Science.gov (United States)

    Wood, Douglas A.

    The focus of this thesis is the application of electron structure calculations, particularly density functional theory, to the analysis of the process by which oxygen is able to migrate through a perovskite crystal. This property creates the possibility of using perovskite membranes to separate oxygen from air. This could be applied to the generation of syngas directly from natural gas without the need for a separate air separation unit. A perovskite has the nominal formula ABO3 where A is a rare earth type cation and B is a transition type cation. The structure consists of the B cations arranged in a cube with the A cation in the center. The oxygen ions are located at the midpoint of each B-B cube edge and form an octahedron centered on each B cation. Any real perovskite crystal will contain a certain fraction of vacancies at the oxygen sites. Oxygen migrates through the crystal by jumping from a neighboring site to the vacancy. The permeability of the crystal is thus a function of the concentration of vacancies and the activation energy of the jump from a neighboring site to the vacancy. These properties can be modified by adding dopants for the A and B cations. The literature contains a substantial amount of experimental work on the effect of such dopants. The overall migration process can be divided into components (i) the concentration of oxygen vacancies, (ii) the activation energy for a neighboring on-site oxygen atom to jump to the vacant site, (iii) the concentration of surface vacancies, and (iv) the processes by which oxygen ions transfer back and forth between the perovskite surface and the contiguous vapor space. Using SrTiO3 and LaCoO3 as model compounds, DFT calculations have been used to (i) calculate various properties of the perovskite crystal, (ii) estimate the activation energy of a jump between an occupied oxygen site and an adjacent vacant oxygen site, (iii) predict the effects of various dopants at the A and B site and (iv) analyze the

  12. Featherless Dinosaurs and the Hip-Hop Simulacrum: Reconsidering Hip-Hop's Appropriateness for the Music Classroom

    Science.gov (United States)

    Kruse, Adam J.

    2016-01-01

    This article offers considerations for music teachers interested in including hip-hop music in their classrooms but who might feel concerned with or overwhelmed by issues of appropriateness. Two concerns related to hip-hop music are examined: language and negative social themes. Commercial interests in hip-hop music have created a simulacrum (or…

  13. Electronic structure of vacancies and vacancy clusters in simple metals

    International Nuclear Information System (INIS)

    Manninen, M.; Nieminen, R.M.

    1978-05-01

    The self-consistent density functional approach has been applied in a study of electronic properties of vacancies and vacancy clusters in simple metals. The electron density profiles and potentials have been obtained for spherical voids of varying size. The formation energies and residual resistivities have been calculated for vacancies using both perturbational and variational inclusion of discrete lattice effects. The relation of the void properties to the plane surface ones is studied, and the inadequacy of the jellium-based methods to high-index faces is demonstrated. (author)

  14. Hopping transport in solids

    CERN Document Server

    Pollak, M

    1991-01-01

    The hopping process, which differs substantially from conventional transport processes in crystals, is the central process in the transport phenomena discussed in this book. Throughout the book the term ``hopping'' is defined as the inelastic tunneling transfer of an electron between two localized electronic states centered at different locations. Such processes do not occur in conventional electronic transport in solids, since localized states are not compatible with the translational symmetry of crystals.The rapid growth of interest in hopping transport has followed in the footsteps of the

  15. Vacancy-Mediated Magnetism in Pure Copper Oxide Nanoparticles

    Science.gov (United States)

    2010-01-01

    Room temperature ferromagnetism (RTF) is observed in pure copper oxide (CuO) nanoparticles which were prepared by precipitation method with the post-annealing in air without any ferromagnetic dopant. X-ray photoelectron spectroscopy (XPS) result indicates that the mixture valence states of Cu1+ and Cu2+ ions exist at the surface of the particles. Vacuum annealing enhances the ferromagnetism (FM) of CuO nanoparticles, while oxygen atmosphere annealing reduces it. The origin of FM is suggested to the oxygen vacancies at the surface/or interface of the particles. Such a ferromagnet without the presence of any transition metal could be a very good option for a class of spintronics. PMID:20671775

  16. Supercritical fluid extraction of hops

    Directory of Open Access Journals (Sweden)

    ZORAN ZEKOVIC

    2007-01-01

    Full Text Available Five cultivars of hop were extracted by the method of supercritical fluid extraction using carbon dioxide (SFE–CO2 as extractant. The extraction (50 g of hop sample using a CO2 flow rate of 97.725 L/h was done in the two steps: 1. extraction at 150 bar and 40°C for 2.5 h (sample of series A was obtained and, after that, the same sample of hop was extracted in the second step: 2. extraction at 300 bar and 40 °C for 2.5 h (sample of series B was obtained. The Magnum cultivar was chosen for the investigation of the extraction kinetics. For the qualitative and quantitative analysis of the obtained hop extracts, the GC-MS method was used. Two of four themost common compounds of hop aroma (a-humulene and b-caryophyllene were detected in samples of series A. In addition, isomerized a-acids and a high content of b-acids were detected. The a-acids content in the samples of series B was the highest in the extract of the Magnum cultivar (it is a bitter variety of hop. The low contents of a-acids in all the other hop samples resulted in extracts with low a-acids content, i.e., that contents were under the prescribed a-acids content.

  17. The effect of electron localization on the electronic structure and migration barrier of oxygen vacancies in rutile.

    Science.gov (United States)

    Zhu, Linggang; Hu, Qing-Miao; Yang, Rui

    2014-02-05

    By applying the on-site Coulomb interaction (Hubbard term U) to the Ti d orbital, the influence of electron localization on the electronic structure as well as the transport of oxygen vacancies (VO) in rutile was investigated. With U = 4.5 eV, the positions of defect states in the bandgap were correctly reproduced. The unbonded electrons generated by taking out one neutral oxygen atom are spin parallel and mainly localized on the Ti atoms near VO, giving rise to a magnetic moment of 2 μB, in agreement with the experimental finding. With regard to the migration barrier of VO, surprisingly, we found that U = 4.5 eV only changed the value of the energy barrier by ±0.15 eV, depending on the diffusion path. The most probable diffusion path (along [110]) is the same as that calculated by using the traditional GGA functional. To validate the GGA + U method itself, a hybrid functional with a smaller supercell was used, and the trend of the more probable diffusion path was not changed. In this regard, the traditional GGA functional might still be reliable in the study of intrinsic-defect transportation in rutile. Analyzing the atomic distortion and density of states of the transition states for different diffusion paths, we found that the anisotropy of the diffusion could be rationalized according to the various atomic relaxations and the different positions of the valence bands relative to the Fermi level of the transition states.

  18. RAZVOJ OBLAČIL V HIP HOP KULTURI

    OpenAIRE

    Marić, Sanja

    2010-01-01

    V diplomskem delu smo raziskovali, kako so se hip hop oblačila razvijala skozi obdobja v hip hop kulturi. V teoretičnem deli smo ugotavljali ozadje in dejavnike, ki so vplivali na razvoj hip hop kulture, v empiričnem delu diplomske naloge pa smo izvedli anketni vprašalnik z glavnimi akterji hip hop kulture na slovenski hip hop sceni. Rezultati, ki smo jih dobili, kažejo da so imela oblačila velik vpliv na prepoznavnost in razvoj hip hop kulture po celem svetu. K temu so največ pripomogli ustv...

  19. Diffusion of oxygen in uranium dioxide: A first-principles investigation

    International Nuclear Information System (INIS)

    Gupta, Florence; Brillant, Guillaume; Pasturel, Alain

    2010-01-01

    Results of ab initio density-functional theory calculations of the migration energies of oxygen vacancies and interstitials in stoichiometric UO 2 are reported. The diffusion of oxygen vacancies in UO 2 is found to be highly anisotropic, and the [1 0 0] direction is energetically favored. The atomic relaxations play an important role in reducing the migration barriers. Within the generalized gradient approximation (GGA), we find that the migration energies of the preferred vacancies and interstitials paths are, respectively, 1.18 and 1.09 eV. With the inclusion of the Hubbard U parameter to account for the 5f electron correlations in GGA+U, the vacancy migration energy is lowered to 1.01 eV while the interstitial migration energy increases slightly to 1.13 eV. We find, however, that the correlation effects have a drastic influence on the mechanism of interstitial migration through the stabilization of Willis-type clusters. Indeed, in contrast to GGA, in GGA+U there is an inversion of the migration path with the so-called 'saddle-point' position being lower in energy than the usual starting position. Thus while the migration barriers are nearly the same in GGA and GGA+U, the mechanisms are completely different. Our results clearly indicate that both vacancies and interstitials contribute almost equally to the diffusion of oxygen in UO 2 .

  20. Insight into the effect of screw dislocations and oxygen vacancy defects on the optical nonlinear refraction response in chemically grown ZnO/Al2O3 films

    Science.gov (United States)

    Agrawal, Arpana; Saroj, Rajendra K.; Dar, Tanveer A.; Baraskar, Priyanka; Sen, Pratima; Dhar, Subhabrata

    2017-11-01

    We report the effect of screw dislocations and oxygen vacancy defects on the optical nonlinear refraction response of ZnO films grown on a sapphire substrate at various oxygen flow rates using the chemical vapor deposition technique. The nonlinear refraction response was investigated in the off-resonant regime using a CW He-Ne laser source to examine the role of the intermediate bandgap states. It has been observed that the structural defects strongly influence the optical nonlinearity in the off-resonant regime. Nonlinearity has been found to improve as the oxygen flow rate is lowered from 2 sccm to 0.3 sccm. From photoluminescence studies, we observe that the enhanced defect density of the electronic defect levels due to the increased concentration of structural defects (with the decrease in the oxygen flow rate) is responsible for this improved optical nonlinearity along with the thermal effect. This suggests that defect engineering is an effective way to tailor the nonlinearity of ZnO films and their utility for optoelectronic device applications.

  1. The Formation of "Hip-Hop Academicus"--How American Scholars Talk about the Academisation of Hip-Hop

    Science.gov (United States)

    Soderman, Johan

    2013-01-01

    Social activism and education have been associated with hip-hop since it emerged in New York City 38 years ago. Therefore, it might not be surprising that universities have become interested in hip-hop. This article aims to highlight this "hip-hop academisation" and analyse the discursive mechanisms that manifest in these academisation…

  2. Promoted Fixation of Molecular Nitrogen with Surface Oxygen Vacancies on Plasmon-Enhanced TiO2 Photoelectrodes.

    Science.gov (United States)

    Li, Chengcheng; Wang, Tuo; Zhao, Zhi-Jian; Yang, Weimin; Li, Jian-Feng; Li, Ang; Yang, Zhilin; Ozin, Geoffrey A; Gong, Jinlong

    2018-02-19

    A hundred years on, the energy-intensive Haber-Bosch process continues to turn the N 2 in air into fertilizer, nourishing billions of people while causing pollution and greenhouse gas emissions. The urgency of mitigating climate change motivates society to progress toward a more sustainable method for fixing N 2 that is based on clean energy. Surface oxygen vacancies (surface O vac ) hold great potential for N 2 adsorption and activation, but introducing O vac on the very surface without affecting bulk properties remains a great challenge. Fine tuning of the surface O vac by atomic layer deposition is described, forming a thin amorphous TiO 2 layer on plasmon-enhanced rutile TiO 2 /Au nanorods. Surface O vac in the outer amorphous TiO 2 thin layer promote the adsorption and activation of N 2 , which facilitates N 2 reduction to ammonia by excited electrons from ultraviolet-light-driven TiO 2 and visible-light-driven Au surface plasmons. The findings offer a new approach to N 2 photofixation under ambient conditions (that is, room temperature and atmospheric pressure). © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Oxygen permeation modelling of perovskites

    NARCIS (Netherlands)

    van Hassel, Bart A.; van Hassel, B.A.; Kawada, Tatsuya; Sakai, Natsuko; Yokokawa, Harumi; Dokiya, Masayuki; Bouwmeester, Henricus J.M.

    1993-01-01

    A point defect model was used to describe the oxygen nonstoichiometry of the perovskites La0.75Sr0.25CrO3, La0.9Sr0.1FeO3, La0.9Sr0.1CoO3 and La0.8Sr0.2MnO3 as a function of the oxygen partial pressure. Form the oxygen vacancy concentration predicte by the point defect model, the ionic conductivity

  4. Exploiting Multi-user Diversity and Multi-hop Diversity in Dual-hop Broadcast Channels

    KAUST Repository

    Zafar, Ammar

    2013-05-21

    We propose joint user-and-hop scheduling over dual-hop block-fading broadcast channels in order to exploit multi-user diversity gains and multi-hop diversity gains all together. To achieve this objective, the first and second hops are scheduled opportunistically based on the channel state information. The joint scheduling problem is formulated as maximizing the weighted sum of the long term achievable rates of the users under a stability constraint, which means that in the long term the rate received by the relay should equal the rate transmitted by it, in addition to power constraints. We show that this problem is equivalent to a single-hop broadcast channel by treating the source as a virtual user with an optimal weight that maintains the stability constraint. We show how to obtain the source weight either off-line based on channel statistics or on real-time based on channel measurements. Furthermore, we consider special cases including the maximum sum-rate scheduler and the proportional fair scheduler. We also show how to extend the scheme into one that allows multiple user scheduling via superposition coding with successive decoding. Numerical results demonstrate that our proposed joint scheduling scheme enlarges the rate region as compared to scheduling schemes that exploit the diversity gains partially.

  5. How to boost the sluggish lithium-ion hopping dynamic in borophene?

    Science.gov (United States)

    Liu, Jia; Chen, Xianfei; Deng, Xiaoyu; Zhang, Wentao; Li, Junfeng; Xiao, Beibei; Pu, Min

    2018-05-01

    In light of low atomic mass, three types of experimentally synthetized borophene including β12, χ3 and striped t-sheet have been predicted to be promising anode materials for lithium-ion batteries (LIBs) with extremely high capacity. However, the rate performances of β12 and χ3 are quite poor with high diffusion barrier of 0.66-0.81 eV on β12 and 0.60-0.85 eV on χ3 in contrast with that in t-sheet (typically performed a comprehensive theoretical investigation on the adsorptions and migrations of Li+ on perfect and defective β12 and χ3 based on density functional theory. We determined a new kind of vacancy in β12 that modulates the adsorption and boosts the diffusion of Li+ nearby remarkably. With the aid of charge doping, we uncover a general mechanism (charge-concentration mechanism) involved with the celebrated bonding theory of borophene, where the hopping barrier of Li+ on β12 could be reduced to be 0.06 eV, rationalizing the boosting Li+ hopping as a result of electron deficiency in vacant borophene. By extending our calculations to H functionalized borophene and Ag supported borophene, we further confirm the validity of the "charge-concentration mechanism" under more realistic experimental conditions. The proposed mechanism could be used as a guiding principle to improve or develop new borophene-based electrode materials with high rate performance for LIBs.

  6. Hall effect in hopping regime

    International Nuclear Information System (INIS)

    Avdonin, A.; Skupiński, P.; Grasza, K.

    2016-01-01

    A simple description of the Hall effect in the hopping regime of conductivity in semiconductors is presented. Expressions for the Hall coefficient and Hall mobility are derived by considering averaged equilibrium electron transport in a single triangle of localization sites in a magnetic field. Dependence of the Hall coefficient is analyzed in a wide range of temperature and magnetic field values. Our theoretical result is applied to our experimental data on temperature dependence of Hall effect and Hall mobility in ZnO. - Highlights: • Expressions for Hall coefficient and mobility for hopping conductivity are derived. • Theoretical result is compared with experimental curves measured on ZnO. • Simultaneous action of free and hopping conduction channels is considered. • Non-linearity of hopping Hall coefficient is predicted.

  7. Hall effect in hopping regime

    Energy Technology Data Exchange (ETDEWEB)

    Avdonin, A., E-mail: avdonin@ifpan.edu.pl [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warszawa (Poland); Skupiński, P. [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warszawa (Poland); Grasza, K. [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warszawa (Poland); Institute of Electronic Materials Technology, ul. Wólczyńska 133, 01-919 Warszawa (Poland)

    2016-02-15

    A simple description of the Hall effect in the hopping regime of conductivity in semiconductors is presented. Expressions for the Hall coefficient and Hall mobility are derived by considering averaged equilibrium electron transport in a single triangle of localization sites in a magnetic field. Dependence of the Hall coefficient is analyzed in a wide range of temperature and magnetic field values. Our theoretical result is applied to our experimental data on temperature dependence of Hall effect and Hall mobility in ZnO. - Highlights: • Expressions for Hall coefficient and mobility for hopping conductivity are derived. • Theoretical result is compared with experimental curves measured on ZnO. • Simultaneous action of free and hopping conduction channels is considered. • Non-linearity of hopping Hall coefficient is predicted.

  8. Giant thermally-enhanced electrostriction and polar surface phase in L a2M o2O9 oxygen ion conductors

    Science.gov (United States)

    Li, Qian; Lu, Teng; Schiemer, Jason; Laanait, Nouamane; Balke, Nina; Zhang, Zhan; Ren, Yang; Carpenter, Michael A.; Wen, Haidan; Li, Jiangyu; Kalinin, Sergei V.; Liu, Yun

    2018-04-01

    Ferroelectrics possess spontaneous electric polarization at macroscopic scales which nonetheless imposes strict limitations on the material classes. Recent discoveries of untraditional symmetry-breaking phenomena in reduced material dimensions have indicated feasibilities to extend polar properties to broader types of materials, potentially opening up the freedom for designing materials with hybrid functionalities. Here, we report the unusual electromechanical properties of L a2M o2O9 (LAMOX) oxygen ion conductors, systematically investigated at both bulk and surface length levels. We first observed giant electrostriction effects in L a2M o2O9 bulk ceramics that are thermally enhanced in concert with their low-energy oxygen-vacancy hopping dynamics. Moreover, while no clear bulk polarization was detected, the surface phases of LAMOX were found to be manifestly polar, likely originating from the coupling between the intrinsic structural flexibilities with strain gradients (i.e., flexoelectricity) and/or chemical heterogeneities present in the materials. These findings identify L a2M o2O9 as a promising electromechanical material system and suggest that the flexible structural and chemical configurations in ionically active materials could enable fundamentally different venues to accommodate electric polarization.

  9. Hops

    Science.gov (United States)

    ... The effectiveness ratings for HOPS are as follows:Body odor. Early research suggests that applying a deodorant that ... specific zinc salt to the underarm can reduce body odor. Insomnia. Some research suggests that taking a combination ...

  10. Chemisorption of oxygen and subsequent reactions on low index surfaces of β-Mo2C

    DEFF Research Database (Denmark)

    Shi, Xue Rong; Wang, Shengguang; Wang, Jianguo

    2016-01-01

    to the carbon vacancy were identified. We examined the effect of oxygen coverage on the morphology of β-Mo2C by plotting the equilibrium crystal shape. Thermodynamic effect of temperature and reactant or product pressure on the CO/CO2 desorption were investigated. The CO/CO2 desorption is more favorable...... at the saturated oxygen coverage than the low oxygen coverage thermodynamically. The subsequent oxygen diffusion to the carbon vacancy after CO/CO2 desorption may happen depending on the surfaces and oxygen coverage....

  11. Supercritical carbon dioxide hop extraction

    Directory of Open Access Journals (Sweden)

    Pfaf-Šovljanski Ivana I.

    2005-01-01

    Full Text Available The hop of Magnum cultivar was extracted using supercritical carbon dioxide (SFE-as extractant. Extraction was carried out in the two steps: the first one being carried out at 150 bar and 40°C for 2.5 h (Extract A, and the second was the extraction of the same hop sample at 300 bar and 40°C for 2.5 h (Extract B. Extraction kinetics of the system hop-SFE-CO2 was investigated. Two of four most common compounds of hop aroma (α-humulene and β-caryophyllene were detected in Extract A. Isomerised α-acids and β-acids were detected too. a-Acid content in Extract B was high (that means it is a bitter variety of hop. Mathematical modeling using empirical model characteristic time model and simple single sphere model has been performed on Magnum cultivar extraction experimental results. Characteristic time model equations, best fitted experimental results. Empirical model equation, fitted results well, while simple single sphere model equation poorly approximated the results.

  12. Cultivated grapevines represent a symptomless reservoir for the transmission of hop stunt viroid to hop crops: 15 years of evolutionary analysis.

    Directory of Open Access Journals (Sweden)

    Yoko Kawaguchi-Ito

    Full Text Available Hop stunt was a mysterious disorder that first emerged in the 1940s in commercial hops in Japan. To investigate the origin of this disorder, we infected hops with natural Hop stunt viroid (HpSVd isolates derived from four host species (hop, grapevine, plum and citrus, which except for hop represent possible sources of the ancestral viroid. These plants were maintained for 15 years, then analyzed the HpSVd variants present. Here we show that the variant originally found in cultivated grapevines gave rise to various combinations of mutations at positions 25, 26, 54, 193, and 281. However, upon prolonged infection, these variants underwent convergent evolution resulting in a limited number of adapted mutants. Some of them showed nucleotide sequences identical to those currently responsible for hop stunt epidemics in commercial hops in Japan, China, and the United States. Therefore, these results indicate that we have successfully reproduced the original process by which a natural HpSVd variant naturally introduced into cultivated hops was able to mutate into the HpSVd variants that are currently present in commercial hops. Furthermore, and importantly, we have identified cultivated grapevines as a symptomless reservoir in which HSVd can evolve and be transmitted to hop crops to cause epidemics.

  13. Hip-Hop Education Resources

    Science.gov (United States)

    Hall, Marcella Runell

    2009-01-01

    Hip-hop music and culture are often cited as being public pedagogy, meaning the music itself has intrinsic educational value. Non-profit organizations and individual educators have graciously taken the lead in utilizing hip-hop to educate. As the academy continues to debate its effectiveness, teachers and community organizers are moving forward.…

  14. Differential modulation of plant immune responses by diverse members of the Pseudomonas savastanoi pv. savastanoi HopAF type III effector family.

    Science.gov (United States)

    Castañeda-Ojeda, M Pilar; López-Solanilla, Emilia; Ramos, Cayo

    2017-06-01

    The Pseudomonas savastanoi pv. savastanoi NCPPB 3335 type III secretion system (T3SS) effector repertoire includes 33 candidates, seven of which translocate into host cells and interfere with plant defences. The present study was performed to investigate the co-existence of both plasmid- and chromosomal-encoded members of the HopAF effector family, HopAF1-1 and HopAF1-2, respectively, in the genome of NCPPB 3335. Here, we show that the HopAF1 paralogues are widely distributed in the Pseudomonas syringae complex, where HopAF1-1 is most similar to the homologues encoded by other P. syringae pathovars infecting woody hosts that belong to phylogroups 1 and 3. We show that the expression of both HopAF1-1 and HopAF-2 is transcriptionally dependent on HrpL and demonstrate their delivery into Nicotiana tabacum leaves. Although the heterologous delivery of either HopAF1-1 or HopAF1-2 significantly suppressed the production of defence-associated reactive oxygen species levels, only HopAF1-2 reduced the levels of callose deposition. Moreover, the expression of HopAF1-2 by functionally effectorless P. syringae pv. tomato DC3000D28E completely inhibited the hypersensitive response in tobacco and significantly increased the competitiveness of the strain in Nicotiana benthamiana. Despite their functional differences, subcellular localization studies reveal that green fluorescent protein (GFP) fusions to either HopAF1-1 or HopAF1-2 are targeted to the plasma membrane when they are expressed in plant cells, a process that is completely dependent on the integrity of their N-myristoylation motif. Our results further support the notion that highly similar T3SS effectors might differentially interact with diverse plant targets, even when they co-localize in the same cell compartment. © 2016 BSPP AND JOHN WILEY & SONS LTD.

  15. Radiation-induced defects in LiAlO{sub 2} crystals: Holes trapped by lithium vacancies and their role in thermoluminescence

    Energy Technology Data Exchange (ETDEWEB)

    Holston, M.S.; McClory, J.W.; Giles, N.C. [Department of Engineering Physics, Air Force Institute of Technology, Wright-Patterson Air Force Base, OH 45433 (United States); Halliburton, L.E., E-mail: Larry.Halliburton@mail.wvu.edu [Department of Physics and Astronomy, West Virginia University, Morgantown, WV 26506 (United States)

    2015-04-15

    Electron paramagnetic resonance (EPR) is used to identify the primary hole trap in undoped lithium aluminate (LiAlO{sub 2}) crystals. Our interest in this material arises because it is a candidate for radiation detection applications involving either optically stimulated luminescence (OSL) or thermoluminescence (TL). During an x-ray irradiation at room temperature, holes are trapped at oxygen ions adjacent to lithium vacancies. Large concentrations of these lithium vacancies are introduced into the crystal during growth. With the magnetic field along the [001] direction, the EPR spectrum from these trapped-hole centers consists of eleven lines, evenly spaced but with varying intensities, caused by nearly equal hyperfine interactions with two {sup 27}Al nuclei (I=5/2, 100% abundant). The g matrix is determined from the angular dependence of the EPR spectrum and has principal values of 2.0130, 2.0675, and 2.0015. These g shifts strongly support the model of a hole in a p orbital on an oxygen ion. The adjacent lithium vacancy stabilizes the hole on the oxygen ion. A sequence of pulsed thermal anneals above room temperature shows that the EPR spectrum from the holes trapped adjacent to the lithium vacancies disappears in the 90–120 °C range. The thermal decay of these hole centers directly correlates with an intense TL peak near 105 °C. Signals at lower magnetic field in the 9.4 GHz EPR spectra suggest that the electron trap associated with this TL peak at 105 °C may be a transition-metal-ion impurity, most likely Fe, located at a cation site. Additional less intense TL peaks are observed near 138, 176, and 278 °C. - Highlights: • Undoped LiAlO{sub 2} crystals are irradiated at room temperature with x-rays. • EPR is used to identify holes trapped at oxygen ions adjacent to lithium vacancies. • Thermal decay of the EPR spectrum correlates with an intense TL peak at 105 °C.

  16. Memristive behaviour of Si-Al oxynitride thin films: the role of oxygen and nitrogen vacancies in the electroforming process

    Science.gov (United States)

    Blázquez, O.; Martín, G.; Camps, I.; Mariscal, A.; López-Vidrier, J.; Ramírez, J. M.; Hernández, S.; Estradé, S.; Peiró, F.; Serna, R.; Garrido, B.

    2018-06-01

    The resistive switching properties of silicon-aluminium oxynitride (SiAlON) based devices have been studied. Electrical transport mechanisms in both resistance states were determined, exhibiting an ohmic behaviour at low resistance and a defect-related Poole‑Frenkel mechanism at high resistance. Nevertheless, some features of the Al top-electrode are generated during the initial electroforming, suggesting some material modifications. An in-depth microscopic study at the nanoscale has been performed after the electroforming process, by acquiring scanning electron microscopy and transmission electron microscopy images. The direct observation of the devices confirmed features on the top electrode with bubble-like appearance, as well as some precipitates within the SiAlON. Chemical analysis by electron energy loss spectroscopy has demonstrated that there is an out-diffusion of oxygen and nitrogen ions from the SiAlON layer towards the electrode, thus forming silicon-rich paths within the dielectric layer and indicating vacancy change to be the main mechanism in the resistive switching.

  17. Magnetoresistance Versus Oxygen Deficiency in Epi-stabilized SrRu1 - x Fe x O3 - δ Thin Films.

    Science.gov (United States)

    Dash, Umasankar; Acharya, Susant Kumar; Lee, Bo Wha; Jung, Chang Uk

    2017-12-01

    Oxygen vacancies have a profound effect on the magnetic, electronic, and transport properties of transition metal oxide materials. Here, we studied the influence of oxygen vacancies on the magnetoresistance (MR) properties of SrRu 1 - x Fe x O 3 - δ epitaxial thin films (x = 0.10, 0.20, and 0.30). For this purpose, we synthesized highly strained epitaxial SrRu 1 - x Fe x O 3 - δ thin films with atomically flat surfaces containing different amounts of oxygen vacancies using pulsed laser deposition. Without an applied magnetic field, the films with x = 0.10 and 0.20 showed a metal-insulator transition, while the x = 0.30 thin film showed insulating behavior over the entire temperature range of 2-300 K. Both Fe doping and the concentration of oxygen vacancies had large effects on the negative MR contributions. For the low Fe doping case of x = 0.10, in which both films exhibited metallic behavior, MR was more prominent in the film with fewer oxygen vacancies or equivalently a more metallic film. For semiconducting films, higher MR was observed for more semiconducting films having more oxygen vacancies. A relatively large negative MR (~36.4%) was observed for the x = 0.30 thin film with a high concentration of oxygen vacancies (δ = 0.12). The obtained results were compared with MR studies for a polycrystal of (Sr 1 - x La x )(Ru 1 - x Fe x )O 3 . These results highlight the crucial role of oxygen stoichiometry in determining the magneto-transport properties in SrRu 1 - x Fe x O 3 - δ thin films.

  18. Synthesis of surface oxygen-deficient BiPO{sub 4} nanocubes with enhanced visible light induced photocatalytic activity

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Bingtao; Yin, Haoyong; Li, Tao; Gong, Jianying; Lv, Shumei; Nie, Qiulin, E-mail: yhy@hdu.edu.cn [College of Materials & Environmental Engineering, Hangzhou Dianzi University, Hangzhou (China)

    2017-05-15

    The visible light driven BiPO{sub 4} nanocubes with sufficient surface oxygen deficiency were fabricated by a hydrothermal process and subsequently ultrasonic assistant Fe reduction process. The products were characterized by XRD, DRS, XPS, SEM and TEM which showed that the BiPO{sub 4} had cuboid-like shape with a smooth surface and clear edges and the oxygen vacancies were successfully introduced on the surface of the BiPO{sub 4} nanocubes. The as prepared oxygen-deficient BiPO{sub 4} nanocubes showed greatly enhanced visible light induced photocatalytic activity in degradation of Rhodamine B. The enhanced photocatalytic performance and expanded visible light response of BiPO{sub 4} may be due to the introduction of surface oxygen vacancies which can generate the oxygen vacancies mid-gap states lower to the conduction band of BiPO{sub 4}. (author)

  19. Performance Analysis of Millimeter-Wave Multi-hop Machine-to-Machine Networks Based on Hop Distance Statistics

    Directory of Open Access Journals (Sweden)

    Haejoon Jung

    2018-01-01

    Full Text Available As an intrinsic part of the Internet of Things (IoT ecosystem, machine-to-machine (M2M communications are expected to provide ubiquitous connectivity between machines. Millimeter-wave (mmWave communication is another promising technology for the future communication systems to alleviate the pressure of scarce spectrum resources. For this reason, in this paper, we consider multi-hop M2M communications, where a machine-type communication (MTC device with the limited transmit power relays to help other devices using mmWave. To be specific, we focus on hop distance statistics and their impacts on system performances in multi-hop wireless networks (MWNs with directional antenna arrays in mmWave for M2M communications. Different from microwave systems, in mmWave communications, wireless channel suffers from blockage by obstacles that heavily attenuate line-of-sight signals, which may result in limited per-hop progress in MWNs. We consider two routing strategies aiming at different types of applications and derive the probability distributions of their hop distances. Moreover, we provide their baseline statistics assuming the blockage-free scenario to quantify the impact of blockages. Based on the hop distance analysis, we propose a method to estimate the end-to-end performances (e.g., outage probability, hop count, and transmit energy of the mmWave MWNs, which provides important insights into mmWave MWN design without time-consuming and repetitive end-to-end simulation.

  20. Performance Analysis of Millimeter-Wave Multi-hop Machine-to-Machine Networks Based on Hop Distance Statistics.

    Science.gov (United States)

    Jung, Haejoon; Lee, In-Ho

    2018-01-12

    As an intrinsic part of the Internet of Things (IoT) ecosystem, machine-to-machine (M2M) communications are expected to provide ubiquitous connectivity between machines. Millimeter-wave (mmWave) communication is another promising technology for the future communication systems to alleviate the pressure of scarce spectrum resources. For this reason, in this paper, we consider multi-hop M2M communications, where a machine-type communication (MTC) device with the limited transmit power relays to help other devices using mmWave. To be specific, we focus on hop distance statistics and their impacts on system performances in multi-hop wireless networks (MWNs) with directional antenna arrays in mmWave for M2M communications. Different from microwave systems, in mmWave communications, wireless channel suffers from blockage by obstacles that heavily attenuate line-of-sight signals, which may result in limited per-hop progress in MWNs. We consider two routing strategies aiming at different types of applications and derive the probability distributions of their hop distances. Moreover, we provide their baseline statistics assuming the blockage-free scenario to quantify the impact of blockages. Based on the hop distance analysis, we propose a method to estimate the end-to-end performances (e.g., outage probability, hop count, and transmit energy) of the mmWave MWNs, which provides important insights into mmWave MWN design without time-consuming and repetitive end-to-end simulation.

  1. Beer spoilage bacteria and hop resistance.

    Science.gov (United States)

    Sakamoto, Kanta; Konings, Wil N

    2003-12-31

    For brewing industry, beer spoilage bacteria have been problematic for centuries. They include some lactic acid bacteria such as Lactobacillus brevis, Lactobacillus lindneri and Pediococcus damnosus, and some Gram-negative bacteria such as Pectinatus cerevisiiphilus, Pectinatus frisingensis and Megasphaera cerevisiae. They can spoil beer by turbidity, acidity and the production of unfavorable smell such as diacetyl or hydrogen sulfide. For the microbiological control, many advanced biotechnological techniques such as immunoassay and polymerase chain reaction (PCR) have been applied in place of the conventional and time-consuming method of incubation on culture media. Subsequently, a method is needed to determine whether the detected bacterium is capable of growing in beer or not. In lactic acid bacteria, hop resistance is crucial for their ability to grow in beer. Hop compounds, mainly iso-alpha-acids in beer, have antibacterial activity against Gram-positive bacteria. They act as ionophores which dissipate the pH gradient across the cytoplasmic membrane and reduce the proton motive force (pmf). Consequently, the pmf-dependent nutrient uptake is hampered, resulting in cell death. The hop-resistance mechanisms in lactic acid bacteria have been investigated. HorA was found to excrete hop compounds in an ATP-dependent manner from the cell membrane to outer medium. Additionally, increased proton pumping by the membrane bound H(+)-ATPase contributes to hop resistance. To energize such ATP-dependent transporters hop-resistant cells contain larger ATP pools than hop-sensitive cells. Furthermore, a pmf-dependent hop transporter was recently presented. Understanding the hop-resistance mechanisms has enabled the development of rapid methods to discriminate beer spoilage strains from nonspoilers. The horA-PCR method has been applied for bacterial control in breweries. Also, a discrimination method was developed based on ATP pool measurement in lactobacillus cells. However

  2. Hip-Hop and the Academic Canon

    Science.gov (United States)

    Abe, Daudi

    2009-01-01

    Over the last 30 years, the hip-hop movement has risen from the margins to become the preeminent force in US popular culture. In more recent times academics have begun to harness the power of hip-hop culture and use it as a means of infusing transformative knowledge into the mainstream academic discourse. On many college campuses, hip-hop's…

  3. Positron annihilation studies on the behaviour of vacancies in LaAlO3/SrTiO3 heterostructures

    Science.gov (United States)

    Yuan, Guoliang; Li, Chen; Yin, Jiang; Liu, Zhiguo; Wu, Di; Uedono, Akira

    2012-11-01

    The formation and diffusion of vacancies are studied in LaAlO3/SrTiO3 heterostructures. Oxygen vacancies (VOS) appear easily in the SrTiO3 substrate during LaAlO3 film growth at 700 °C and 10-4 Pa oxygen pressure rather than at 10-3-10-1 Pa, thus the latter two-dimensional electron gas should come from the polarity discontinuity at the (LaO)+/(TiO2)0 interface. For SrTiO3-δ/LaAlO3/SrTiO3, high-density VOS of the SrTiO3-δ film can pass through the LaAlO3 film and then diffuse to 1.7 µm depth in the SrTiO3 substrate, suggesting that LaAlO3 has VOS at its middle-deep energy levels within the band gap. Moreover, high-density VOS may combine with a strontium/titanium vacancy (VSr/Ti) to form VSr/Ti-O complexes in the SrTiO3 substrate at 700 °C.

  4. Thermodynamic, electronic, and magnetic properties of intrinsic vacancy defects in antiperovskite Ca3SnO

    Science.gov (United States)

    Batool, Javaria; Alay-e-Abbas, Syed Muhammad; Amin, Nasir

    2018-04-01

    The density functional theory based total energy calculations are performed to examine the effect of charge neutral and fully charged intrinsic vacancy defects on the thermodynamic, electronic, and magnetic properties of Ca3SnO antiperovskite. The chemical stability of Ca3SnO is evaluated with respect to binary compounds CaO, CaSn, and Ca2Sn, and the limits of atomic chemical potentials of Ca, Sn, and O atoms for stable synthesis of Ca3SnO are determined within the generalized gradient approximation parametrization scheme. The electronic properties of the pristine and the non-stoichiometric forms of this compound have been explored and the influence of isolated intrinsic vacancy defects (Ca, Sn, and O) on the structural, bonding, and electronic properties of non-stoichiometric Ca3SnO are analyzed. We also predict the possibility of achieving stable ferromagnetism in non-stoichiometric Ca3SnO by means of charge neutral tin vacancies. From the calculated total energies and the valid ranges of atomic chemical potentials, the formation energetics of intrinsic vacancy defects in Ca3SnO are evaluated for various growth conditions. Our results indicate that the fully charged calcium vacancies are thermodynamically stable under the permissible Sn-rich condition of stable synthesis of Ca3SnO, while tin and oxygen vacancies are found to be stable under the extreme Ca-rich condition.

  5. Ab initio atomic thermodynamics investigation on oxygen defects in the anatase TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Zhijun [College of Science, University of Shanghai for Science and Technology, Shanghai 200093 (China); Liu, Tingyu, E-mail: liutyyxj@163.com [College of Science, University of Shanghai for Science and Technology, Shanghai 200093 (China); Yang, Chenxing; Gan, Haixiu [College of Science, University of Shanghai for Science and Technology, Shanghai 200093 (China); Chen, Jianyu [Key Laboratory of Materials for High Power Laser, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China); Zhang, Feiwu [Nanochemistry Research Institute, Curtin University, GPO Box U1987, Perth, WA 6845 (Australia)

    2013-01-05

    Highlights: Black-Right-Pointing-Pointer Three typical oxygen defects under the different annealing conditions have been studied. Black-Right-Pointing-Pointer The oxygen vacancy is easier to form at the surface than in the bulk. Black-Right-Pointing-Pointer The adsorption of O{sub 2} whose orientation is parallel to the surface should be more favorable. Black-Right-Pointing-Pointer The reduction reaction may firstly undertake at the surface during the annealing treatment. Black-Right-Pointing-Pointer The interstitial oxygen has important contribution to lead to the reduction of the band gap. - Abstract: In the framework of the ab initio atomic thermodynamics, the preliminary analysis of the oxygen defects in anatase TiO{sub 2} has been done by investigating the influence of the annealing treatment under representative conditions on three typical oxygen defects, that is, oxygen vacancy, oxygen adsorption and oxygen interstitial. Our results in this study agree well with the related experimental results. The molecular species of the adsorbed O{sub 2} is subject to the ratio of the number of the O{sub 2} to that of the vacancy, as well as to the initial orientation of O{sub 2} relative to the surface (101). Whatever the annealing condition is, the oxygen vacancy is easier to form at the surface than in the bulk indicating that the reduction reaction may firstly undertake at the surface during the annealing treatment, which is consistent with the phase transformation experiments. The molecular ion, peroxide species, caused by the interstitial oxygen has important contribution to the top of the valence band and lead to the reduction of the band gap.

  6. Ordering of vacancies on Si(001)

    NARCIS (Netherlands)

    Zandvliet, Henricus J.W.

    1997-01-01

    Missing dimer vacancies are always present on the clean Si(001) surface. The vacancy density can be increased by ion bombardment (Xe+, Ar+), etching (O2, Br2, I2, etc.) or Ni contamination. The equilibrium shape at low vacancy concentrations (<0.2¿0.3 monolayers) of these vacancy islands is

  7. Fundamentals of beer and hop chemistry

    Directory of Open Access Journals (Sweden)

    Denis De Keukeleire

    2000-02-01

    Full Text Available Beer brewing is an intricate process encompassing mixing and further elaboration of four essential raw materials, including barley malt, brewing water, hops and yeast. Particularly hops determine to a great extent typical beer qualities such as bitter taste, hoppy flavour, and foam stability. Conversely, hop-derived bitter acids account for an offending lightstruck flavour, which is formed on exposure of beer to light. These various processes are presented in detail, while due emphasis is placed on state-of-the-art hop technology, which provides brewers with efficient means to control bitterness, foam, and light-stability thereby allowing for the production of beers with consistent quality.

  8. Electron diffraction study of the sillenites Bi{sub 12}SiO{sub 20}, Bi{sub 25}FeO{sub 39} and Bi{sub 25}InO{sub 39}: Evidence of short-range ordering of oxygen-vacancies in the trivalent sillenites

    Energy Technology Data Exchange (ETDEWEB)

    Scurti, Craig A.; Arenas, D. J. [Department of Physics, University of North Florida, Jacksonville, FL 32224 (United States); Auvray, Nicolas [Department of Physics, University of North Florida, Jacksonville, FL 32224 (United States); Laboratoire de Nanotechnologie et d’Instrumentation Optique - UMR CNRS 6279, Université Technologie de Troyes, 12 rue Marie Curie, Troyes 10010 (France); Lufaso, Michael W. [Department of Chemistry, University of North Florida, Jacksonville, FL 32224 (United States); Takeda, Seiji [The Institute of Scientific and Industrial Research, Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047 (Japan); Kohno, Hideo [School of Environmental Science and Engineering, Kochi University of Technology, Tosayamada, Kami, Kochi 782-8502 Japan (Japan)

    2014-08-15

    We present an electron diffraction study of three sillenites, Bi{sub 12}SiO{sub 20}, Bi{sub 25}FeO{sub 39}, and Bi{sub 25}InO{sub 39} synthesized using the solid-state method. We explore a hypothesis, inspired by optical studies in the literature, that suggests that trivalent sillenites have additional disorder not present in the tetravalent compounds. Electron diffraction patterns of Bi{sub 25}FeO{sub 39} and Bi{sub 25}InO{sub 39} show streaks that confirm deviations from the ideal sillenite structure. Multi-slice simulations of electron-diffraction patterns are presented for different perturbations to the sillenite structure - partial substitution of the M site by Bi{sup 3+}, random and ordered oxygen-vacancies, and a frozen-phonon model. Although comparison of experimental data to simulations cannot be conclusive, we consider the streaks as evidence of short-range ordered oxygen-vacancies.

  9. High temperature oxidation of metals: vacancy injection and consequences on the mechanical properties

    International Nuclear Information System (INIS)

    Perusin, S.

    2004-11-01

    The aim of this work is to account for the effects of the high temperature oxidation of metals on their microstructure and their mechanical properties. 'Model' materials like pure nickel, pure iron and the Ni-20Cr alloy are studied. Nickel foils have been oxidised at 1000 C on one side only in laboratory air, the other side being protected from oxidation by a reducing atmosphere. After the oxidation treatment, the unoxidized face was carefully examined by using an Atomic Force Microscope (AFM). Grain boundaries grooves were characterised and their depth were compared to the ones obtained on the same sample heat treated in the reducing atmosphere during the same time. They are found to be much deeper in the case of the single side oxidised samples. It is shown that this additional grooving is directly linked to the growth of the oxide scale on the opposite side and that it can be explained by the diffusion of the vacancies produced at the oxide scale - metal interface, across the entire sample through grain boundaries. Moreover, the comparison between single side oxidised samples and samples oxidised on both sides points out that voids in grain boundaries are only observed in this latter case proving the vacancies condensation in the metal when the two faces are oxidised. The role of the carbon content and the sample's geometry on this phenomenon is examined in detail. The diffusion of vacancies is coupled with the transport of oxygen so that a mechanism of oxygen transport by vacancies is suggested. The tensile tests realised at room temperature on nickel foils (bamboo microstructure) show that the oxide scale can constitute a barrier to the emergence of dislocations at the metal surface. Finally, the Ni-20Cr alloy is tested in tensile and creep tests between 25 and 825 C in oxidising or reducing atmospheres. (author)

  10. Oxygen vacancy defect engineering using atomic layer deposited HfAlOx in multi-layered gate stack

    Science.gov (United States)

    Bhuyian, M. N.; Sengupta, R.; Vurikiti, P.; Misra, D.

    2016-05-01

    This work evaluates the defects in high quality atomic layer deposited (ALD) HfAlOx with extremely low Al (estimated by the high temperature current voltage measurement shows that the charged oxygen vacancies, V+/V2+, are the primary source of defects in these dielectrics. When Al is added in HfO2, the V+ type defects with a defect activation energy of Ea ˜ 0.2 eV modify to V2+ type to Ea ˜ 0.1 eV with reference to the Si conduction band. When devices were stressed in the gate injection mode for 1000 s, more V+ type defects are generated and Ea reverts back to ˜0.2 eV. Since Al has a less number of valence electrons than do Hf, the change in the co-ordination number due to Al incorporation seems to contribute to the defect level modifications. Additionally, the stress induced leakage current behavior observed at 20 °C and at 125 °C demonstrates that the addition of Al in HfO2 contributed to suppressed trap generation process. This further supports the defect engineering model as reduced flat-band voltage shifts were observed at 20 °C and at 125 °C.

  11. Oxygen vacancy as fatigue evidence of La0.5Sr0.5CoO3/PbZr0.4Ti0.6O3/La0.5Sr0.5CoO3 capacitors

    Science.gov (United States)

    Liu, B. T.; Chen, J. E.; Sun, J.; Wei, D. Y.; Chen, J. H.; Li, X. H.; Bian, F.; Zhou, Y.; Guo, J. X.; Zhao, Q. X.; Guan, L.; Wang, Y. L.; Guo, Q. L.; Ma, L. X.

    2010-09-01

    La0.5Sr0.5CoO3 (LSCO) films grown on SrTiO3 substrates, cooled at reduced oxygen pressures, ranging from 8×104 to 1×10-4 Pa, from the depostion temperature, are used as the bottom electrodes of PbZr0.4Ti0.6O3 (PZT) capacitors to study the impact of oxygen stoichiometry of the LSCO bottom electrodes on the structural and physical properties of LSCO/PZT/LSCO capacitors. It is found that the tetragonality, polarization and fatigue-resistance of PZT films decrease with the decrease of the cooling oxygen pressure. Almost 60% polarization degradation occurs for the PZT capacitor with the LSCO bottom electrode cooled in 1×10-4 Pa oxygen up to 1010 switching cycles, indicating that the oxygen vacancy of the bottom electrode can result in fatigue of the LSCO/PZT/LSCO capacitor.

  12. Fabrication and characterization of cubic Ba{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3−δ} perovskite for a novel “star-shaped” oxygen membrane with a developed surface

    Energy Technology Data Exchange (ETDEWEB)

    Borhan, Adrian Iulian [Institute of Power Engineering, Ceramic Department CEREL, Research Institute, 1 Techniczna St., 36-040 Boguchwała (Poland); Gromada, Magdalena, E-mail: gromada@cerel.pl [Institute of Power Engineering, Ceramic Department CEREL, Research Institute, 1 Techniczna St., 36-040 Boguchwała (Poland); Samoila, Petrisor [Petru Poni Institute of Macromolecular Chemistry, 41A, Gr. Ghica Voda Alley, 700487 Iasi (Romania); Gherca, Daniel [Alexandru Ioan Cuza University of Iasi, Faculty of Chemistry, 11 Carol 1 Boulevard, R-700506 Iasi (Romania)

    2016-07-15

    Highlights: • Innovative fabrication technology was elaborated for BSCF membrane with developed surface. • The tool for membranes forming with developed surface was designed and executed. • As a result of forming process, membranes with “star shape” design were obtained. • Concentration of oxygen vacancies in BSCF increases considerably with temperature. • The small polaron hopping depends on the oxygen stoichiometry deviation. - Abstract: Ba{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3−δ} (BSCF), a material which can be used for the fabrication of oxygen membranes with developed surfaces, was synthesized by a solid state method. The most important material properties which have influence on the oxygen membrane usability were investigated. An innovative fabrication technology was developed for the preparation of oxygen membranes with developed surfaces by using vacuum extrusion. The tool to form membranes on a vacuum worm press was designed and executed. These allowed the formation, for the first time, of a novel “star shaped” architecture for an oxygen membrane, enabling the use of a higher effective surface for oxygen production. Comprehensive studies on structural and microstructural properties, apparent density and porosity, water absorbability, oxygen stoichiometry, thermal expansion and electrical conductivity of the BSCF membrane were performed. The results obtained demonstrated the potential application of “star-shaped” oxygen membranes in oxy-fuel combustion technology.

  13. Zn-vacancy related defects in ZnO grown by pulsed laser deposition

    Science.gov (United States)

    Ling, F. C. C.; Luo, C. Q.; Wang, Z. L.; Anwand, W.; Wagner, A.

    2017-02-01

    Undoped and Ga-doped ZnO (002) films were grown c-sapphire using the pulsed laser deposition (PLD) method. Znvacancy related defects in the films were studied by different positron annihilation spectroscopy (PAS). These included Doppler broadening spectroscopy (DBS) employing a continuous monenergetic positron beam, and positron lifetime spectroscopy using a pulsed monoenergetic positron beam attached to an electron linear accelerator. Two kinds of Znvacancy related defects namely a monovacancy and a divacancy were identified in the films. In as-grown undoped samples grown with relatively low oxygen pressure P(O2)≤1.3 Pa, monovacancy is the dominant Zn-vacancy related defect. Annealing these samples at 900 oC induced Zn out-diffusion into the substrate and converted the monovacancy to divacancy. For the undoped samples grown with high P(O2)=5 Pa irrespective of the annealing temperature and the as-grown degenerate Ga-doped sample (n=1020 cm-3), divacancy is the dominant Zn-vacancy related defect. The clustering of vacancy will be discussed.

  14. Thermal conductivity reduction in oxygen-deficient strontium titanates

    NARCIS (Netherlands)

    Yu, Choongho; Scullin, Matthew L.; Huijben, Mark; Ramesh, Ramamoorthy; Majumdar, Arun

    2008-01-01

    We report significant thermal conductivity reduction in oxygen-deficient lanthanum-doped strontium titanate (Sr1−xLaxTiO3−δ) films as compared to unreduced strontium titanates. Our experimental results suggest that the oxygen vacancies could have played an important role in the reduction. This could

  15. Positron lifetime in vacancy clusters. Application to the study of vacancy-impurity interactions

    International Nuclear Information System (INIS)

    Corbel, C.

    1986-02-01

    Positron lifetime measurements are used to study the vacancy recovery (77-650 K) in 20 K electron irradiated dilute gold or iron alloys in stainless steels. Positron lifetimes in clusters of various shapes and structures are calculated to precise the information obtained by measuring the positron lifetime in a vacancy cluster of unknown size and configuration. From the calculations, we have drawn the following conclusions: - the minimal size of an unknown cluster can be deduced from the measurement of the positron lifetime in the cluster; - a decrease of the positron lifetime when the structure of the cluster evolves, means either a decrease of the size of the cluster, or, the appearance of a relaxed configuration. - The positron lifetime is very useful to discriminate between a spatial planar or relaxed configuration and a tri-dimensional one. In AuGe, AuSb, AuTn alloys, vacancy clusters decorated by solute atoms appear at 250 K. Their configurations are different from those in pure Au. Mobile vacancy-solutes complexes are involved in the clustering process in AuGe, AuSb. The clusters are probably decorated by several solute atoms in AuGe and AuSb where the resistivity evidences a clustering of solute atoms. In AuFe, vacancy-single or multi-complexes stable up to 670 K prevent cluster formation. In FeTi, FeSb, FeAu, vacancy migration is hindered by the formation of vacancy-solute complexes up to 315 K (Ti), up to 670 K (Sb), up to 700 K (Au). In FeSi, FeCu, FeAg, tri-dimensional clusters grow less easily than Fe. This is likely due to the formation of several kinds of small decorated clusters with relaxed or planar configurations. They are peculiarly stable, surviving up to 700 K at least. In Si (resp. Ti) doped 59Fe25Ni16Cr, solute atoms retain the vacancies up to 300 K (resp. 320 K) [fr

  16. Lanthanide-Doped Ceria Nanoparticles as Backside Coaters to Improve Silicon Solar Cell Efficiency.

    Science.gov (United States)

    Hajjiah, Ali; Samir, Effat; Shehata, Nader; Salah, Mohamed

    2018-05-23

    This paper introduces lanthanide-doped ceria nanoparticles as silicon solar cell back-side coaters, showing their influence on the solar cell efficiency. Ceria nanoparticles can be synthesized to have formed oxygen vacancies (O-vacancies), which are associated with converting cerium ions from the Ce 4+ state ions to the Ce 3+ ones. These O-vacancies follow the rule of improving silicon solar cell conductivity through a hopping mechanism. Besides, under near-ultra violet (near-UV) excitation, the reduced trivalent cerium Ce 3+ ions are directly responsible for down converting the un-absorbed UV wavelengths to a resultant green photo-luminescence emission at ~520 nm, which is absorbed through the silicon solar cell’s active layer. Adding lanthanide elements such as Neodymium “Nd” as ceria nanoparticle dopants helps in forming extra oxygen vacancies (O-vacancies), followed by an increase in the number of Ce 4+ to Ce 3+ ion reductions, thus enhancing the conductivity and photoluminescence down conversion mechanisms. After introducing lanthanide-doped ceria nanoparticles on a silicon solar cell surface, a promising enhancement in the behavior of the solar cell current-voltage curve is observed, and the efficiency is improved by about 25% of its initial value due to the mutual impact of improving both electric conductivity and optical conversions.

  17. Phosphorous–vacancy–oxygen defects in silicon

    KAUST Repository

    Wang, Hao; Chroneos, Alexander; Hall, D.; Schwingenschlö gl, Udo; Sgourou, E. N.

    2013-01-01

    Electronic structure calculations employing the hybrid functional approach are used to gain fundamental insight in the interaction of phosphorous with oxygen interstitials and vacancies in silicon. It recently has been proposed, based on a binding

  18. Pertunjukan Teater Karo Hip Hop Kontemporer KAI

    Directory of Open Access Journals (Sweden)

    Silvia Anggreni Purba

    2013-11-01

    Pertunjukan Teater Karo Hip Hop Kontemporer KAI. The performance of Karo Theater collaborated with Hip Hop stems from a simple idea to collaborate Karo cultural traditions with popular culture. The performances can be enjoyed without having limitation on the language and culture. The process of combining two different cultures is a form of hybrid culture, and it may occur due to the globalization process. Through the process of deposition of the observations and strong impression, this performance is then brought into the form of Hip Hop as a preferred form which is energetic, personal and global. This performance is part of a modern tragedy with its destructive character which has explored the emotion and has presented it to the audiences. The exploration of Karo cultural tradition and Hip Hop dance as a language of symbols is able to reinforce words. The movement is not revealed by the verbal phrase but is presented through the movement of Hip Hop dance. The interpretation of the legend and texts into movement is carried out through the training process at the laboratory as a searching process and experiment, and afterward can be realized by considering the basic elements of Hip Hop, Karo cultural elements and performance. Karo Hip Hop Theatre is expected to become a preferred aesthetic form of a modern theater without losing its tradition form. Keyword: a contemporary Karo theater, Hip Hop, hybrid culture.

  19. Hip-hop and urban studies

    NARCIS (Netherlands)

    Jaffe, R.

    2014-01-01

    How can urban studies research engage fruitfully with hip-hop? This contribution responds to the essays by David Beer and Martin Lamotte on ‘street music’, urban ethnography and ghettoized communities. It discusses how a social science engagement with hip-hop texts might differ from cultural studies

  20. First-principles study on migration of vacancy in tungsten

    International Nuclear Information System (INIS)

    Oda, Yasuhiro; Ito, Atsushi M.; Takayama, Arimichi; Nakamura, Hiroaki

    2014-03-01

    We calculated di-vacancy binding energies and migration energies of mono-vacancy and di-vacancy in tungsten material using DFT calculation. The mono-vacancy diffuses in [111] direction easily rather than in [001] direction. The migration energies of di-vacancies are almost the same value of the mono-vacancy. The migration of di-vacancy is approximately the same as the migration of mono-vacancy. The di-vacancy binding energies are almost zero or negative. The interactions between two vacancies in tungsten material are repulsive from the second to fifth nearest-neighbor. The vacancies are difficult to aggregate since di-vacancy is less stable than mono-vacancy. (author)

  1. THE EFFECTS OF SINGLE LEG HOP PROGRESSION AND DOUBLE LEGS HOP PROGRESSION EXERCISE TO INCREASE SPEED AND EXPLOSIVE POWER OF LEG MUSCLE

    Directory of Open Access Journals (Sweden)

    Nining W. Kusnanik

    2015-05-01

    Full Text Available The main purpose of this study was to determine the effect of single leg hop progression and double legs hop progression exercise to increase speed and explosive power of leg muscles. Plyometric is one of the training methods that can increase explosive power. There are many models of plyometric training including single leg hop progression and double leg hop progression. This research was experimental using match subject design techniques. The subjects of this study were 39 students who joined basketball school club. There were 3 groups in this study: Group 1 were 13 students who given sin¬gle leg hop progression exercise, Group 2 were 13 students who given double legs hop progression exercise, Group 3 were 13 students who given conventional exercise. The data was collected during pre test and post test by testing 30m speed running and vertical jump. The data was analyzed using Analysis of Varians (Anova. It was found that there were significantly increased on speed and explosive power of leg muscles of Group 1 and Group 2. It can be stated that single leg hop progression exercise was more effective than double leg hop progression exercise. The recent findings supported the hypothesis that single leg hop progression and double legs hop progression exercise can increase speed and explosive power of leg muscles. These finding were supported by some previous studies (Singh, et al, 2011; Shallaby, H.K., 2010. The single leg hop progression is more effective than double legs hop progression. This finding was consistent with some previous evidences (McCurdy, et al, 2005; Makaruk et al, 2011.

  2. Indium vacancy induced d0 ferromagnetism in Li-doped In2O3 nanoparticles

    Science.gov (United States)

    Cao, Haiming; Xing, Pengfei; Zhou, Wei; Yao, Dongsheng; Wu, Ping

    2018-04-01

    Li-doped In2O3 nanoparticles with room temperature d0 ferromagnetism were prepared by a sol-gel method. X-ray diffraction, X-ray photoelectron spectroscopy and photoluminescence were carried out to investigate the effects of Li incorporation on the lattice defects. As the content of Li increases, non-monotonic changes in shifts of XRD peak (2 2 2) and the intensity ratios of indium vacancies related photoluminescence peak (PII) with respect to oxygen vacancies related peak (PI) are observed. Results show that at low doping level (≤2 at.%) Li prefers to occupy In sites, while with further doping the interstitial sites are more favorable for Li. Combined with the consistent non-monotonic change in saturation magnetization, we think that indium vacancies resulting from Li-doping play an important role in inducing d0 ferromagnetism in our Li-doped In2O3 nanoparticles, and the FM coupling is mainly mediated by the LiIn-ONN-VIn-ONN-LiIn chains.

  3. Charge doping and large lattice expansion in oxygen-deficient heteroepitaxial WO3

    Science.gov (United States)

    Mattoni, Giordano; Filippetti, Alessio; Manca, Nicola; Zubko, Pavlo; Caviglia, Andrea D.

    2018-05-01

    Tungsten trioxide (WO3) is a versatile material with widespread applications ranging from electrochromics and optoelectronics to water splitting and catalysis of chemical reactions. For technological applications, thin films of WO3 are particularly appealing, taking advantage from a high surface-to-volume ratio and tunable physical properties. However, the growth of stoichiometric crystalline thin films is challenging because the deposition conditions are very sensitive to the formation of oxygen vacancies. In this paper, we show how background oxygen pressure during pulsed laser deposition can be used to tune the structural and electronic properties of WO3 thin films. By performing x-ray diffraction and low-temperature electrical transport measurements, we find changes in the WO3 lattice volume of up to 10% concomitantly with a resistivity drop of more than five orders of magnitude at room temperature as a function of increased oxygen deficiency. We use advanced ab initio calculations to describe in detail the properties of the oxygen vacancy defect states and their evolution in terms of excess charge concentration. Our results depict an intriguing scenario where structural, electronic, optical, and transport properties of WO3 single-crystal thin films can all be purposely tuned by controlling the oxygen vacancy formation during growth.

  4. Investigation of oxygen growth pressure effects on titanium dioxide:cobalt

    Science.gov (United States)

    Hu, Erhong

    2007-12-01

    Room temperature ferromagnetic semiconductors not only play an important role in the development of spintronics, but also are interesting from the viewpoint of fundamental physics since they combine two important realms of condensed matter physics: magnetism and semiconduction. This dissertation presents a study on selected magnetic transition metal doped oxides as potential diluted magnetic semiconductors (DMS). The goal is to understand the room temperature ferromagnetism (RTFM) mechanism in TiO2-delta: Co. Several steps have been taken to approach this problem. Polycrystalline and epitaxial TiO2-delta: Co thin films were deposited on (0001) alpha-Al2O3 substrates by PLD under well controlled growth conditions. Detailed characterization demonstrates that laser ablated TiO2-delta: Co under low oxygen growth pressure (PO2) is a multiphase system with Co nanoparticles precipitated out of the TiO2 lattice. Depending on PO2, the samples show dramatically different magnetic behavior. For example, with PO2 lower than a critical value a transition from a blocked magnetic state at low temperature to a superparamagnetic state at higher temperature is observed, which is a signature of superparamagnetic Co nanoparticles. For samples grown under higher PO2, the blocking temperatures are higher than 350K, as determined from zero field cooled/field cooled (ZFC/FC) measurements. In agreement with this observation, the hopping transport behavior expected in multiphase granular metal systems, ln(rho) ˜ T -1/2 is observed for most of the samples in the measured temperature range and low bias (linear I-V) regime. Related hopping conduction behaviour in magnetic fields and high electrical fields (non-linear I-V regime) will also be presented. Cross sectional TEM images provide further corroboration of the multiphase structure of these materials. Preliminary work to understand the mechanism dominating the room temperature ferromagnetism in SnO2-delta: Co is also presented. To obtain

  5. Theoretical study of the influence of cation vacancies on the catalytic properties of vanadium antimonate

    International Nuclear Information System (INIS)

    Messina, S.; Juan, A.; Larrondo, S.; Irigoyen, B.; Amadeo, N.

    2008-01-01

    We have theoretically studied the influence of antimony and vanadium cation vacancies in the electronic structure and reactivity of vanadium antimonate, using molecular orbital methods. From the analysis of the electronic properties of the VSbO 4 crystal structure, we can infer that both antimony and vanadium vacancies increase the oxidation state of closer V cations. This would indicate that, in the rutile-type VSbO 4 phase the Sb and V cations defects stabilize the V in a higher oxidation state (V 4+ ). Calculations of the adsorption energy for different toluene adsorption geometries on the VSbO 4 (1 1 0) surface have also been performed. The oxidation state of Sb, V and O atoms and the overlap population of metal-oxygen bonds have been evaluated. Our results indicate that the cation defects influence in the toluene adsorption reactions is slight. We have computed different alternatives for the reoxidation of the VSbO 4 (1 1 0) surface active sites which were reduced during the oxygenated products formation. These calculations indicate that the V cations in higher oxidation state (V 4+ ) are the species, which preferentially incorporate lattice oxygen to the reduced Sb cations. Thus, the cation defects would stabilize the V 4+ species in the VSbO 4 structure, determining its ability to provide lattice oxygen as a reactant

  6. Solute-vacancy binding in aluminum

    International Nuclear Information System (INIS)

    Wolverton, C.

    2007-01-01

    Previous efforts to understand solute-vacancy binding in aluminum alloys have been hampered by a scarcity of reliable, quantitative experimental measurements. Here, we report a large database of solute-vacancy binding energies determined from first-principles density functional calculations. The calculated binding energies agree well with accurate measurements where available, and provide an accurate predictor of solute-vacancy binding in other systems. We find: (i) some common solutes in commercial Al alloys (e.g., Cu and Mg) possess either very weak (Cu), or even repulsive (Mg), binding energies. Hence, we assert that some previously reported large binding energies for these solutes are erroneous. (ii) Large binding energies are found for Sn, Cd and In, confirming the proposed mechanism for the reduced natural aging in Al-Cu alloys containing microalloying additions of these solutes. (iii) In addition, we predict that similar reduction in natural aging should occur with additions of Si, Ge and Au. (iv) Even larger binding energies are found for other solutes (e.g., Pb, Bi, Sr, Ba), but these solutes possess essentially no solubility in Al. (v) We have explored the physical effects controlling solute-vacancy binding in Al. We find that there is a strong correlation between binding energy and solute size, with larger solute atoms possessing a stronger binding with vacancies. (vi) Most transition-metal 3d solutes do not bind strongly with vacancies, and some are even energetically strongly repelled from vacancies, particularly for the early 3d solutes, Ti and V

  7. Magnetism and metal-insulator transition in oxygen deficient SrTiO3

    Science.gov (United States)

    Lopez-Bezanilla, Alejandro; Ganesh, P.; Littlewood, Peter

    2015-03-01

    We report new findings in the electronic structure and magnetism of oxygen vacancies in SrTiO3. By means of first-principles calculations we show that the appearance of magnetism in oxygen-deficient SrTiO3 is not determined solely by the presence of a single oxygen vacancy but by the density of free carriers and the relative proximity of the vacant sites. While an isolated vacancy behaves as a non-magnetic double donor, manipulation of the doping conditions allows the stability of a single donor state with emergent local moments. Strong local lattice distortions enhance the binding of this state. Consequently we find that the free-carrier density and strain are fundamental components to obtaining trapped spin-polarized electrons in oxygen-deficient SrTiO3, which may have important implications in the design of switchable magneto-optic devices. AL-B and PBL were supported by DOE-BES under Contract No. DE-AC02-06CH11357. PG was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT- Battelle, LLC, for the US Department of Energy.

  8. Observation of bias-dependent noise sources in a TiOx/TiOy bipolar resistive switching frame

    International Nuclear Information System (INIS)

    Hyung Kim, Joo; Rahm Lee, Ah; Cheol Bae, Yoon; Ho Baek, Kwang; Sik Im, Hyun; Pyo Hong, Jin

    2014-01-01

    We report the conduction features associated with the evolution of oxygen ions (or vacancies) under bias for a TiO x (oxygen ion-rich)/TiO y (oxygen ion-deficient) bi-layer cell by identifying low-frequency noise sources. It is believed that a low resistance state enhances the formation of conductive filaments exchanging electrons through a nearest-neighbor hopping process, while a high resistance state (HRS) emphasizes the rupture of conductive filaments inside the insulating TiO x layer and a reduction/oxidation reaction at the oxide interfaces. The high resolution transmission electron microscope images of as-grown and HRS cells are also discussed

  9. Ab initio study of vacancy formation in cubic LaMnO{sub 3} and SmCoO{sub 3} as cathode materials in solid oxide fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Olsson, Emilia; Aparicio-Anglès, Xavier [Department of Chemistry, University College London, London WC1H 0AJ (United Kingdom); Leeuw, Nora H. de, E-mail: deleeuwn@cardiff.ac.uk [Department of Chemistry, University College London, London WC1H 0AJ (United Kingdom); School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT (United Kingdom)

    2016-07-07

    Doped LaMnO{sub 3} and SmCoO{sub 3} are important solid oxide fuel cell cathode materials. The main difference between these two perovskites is that SmCoO{sub 3} has proven to be a more efficient cathode material than LaMnO{sub 3} at lower temperatures. In order to explain the difference in efficiency, we need to gain insight into the materials’ properties at the atomic level. However, while LaMnO{sub 3} has been widely studied, ab initio studies on SmCoO{sub 3} are rare. Hence, in this paper, we perform a comparative DFT + U study of the structural, electronic, and magnetic properties of these two perovskites. To that end, we first determined a suitable Hubbard parameter for the Co d–electrons to obtain a proper description of SmCoO{sub 3} that fully agrees with the available experimental data. We next evaluated the impact of oxygen and cation vacancies on the geometry, electronic, and magnetic properties. Oxygen vacancies strongly alter the electronic and magnetic structures of SmCoO{sub 3}, but barely affect LaMnO{sub 3}. However, due to their high formation energy, their concentrations in the material are very low and need to be induced by doping. Studying the cation vacancy concentration showed that the formation of cation vacancies is less energetically favorable than oxygen vacancies and would thus not markedly influence the performance of the cathode.

  10. Fasilitas Pelatihan dan Pergelaran Seni Tari Hip Hop di Surabaya

    OpenAIRE

    Yanuar, Sandy

    2014-01-01

    Fasilitas Pelatihan dan Pergelaran Seni Tari Hip Hop di Surabaya merupakan fasilitas yang disediakan bagi semua penari Hip Hop di Surabaya untuk berlatih menari dan mempertunjukan tarian Hip Hop. Fasilitas ini tersedia bagi semua penari Hip Hop termasuk penari difable, mengingat kaum difable juga dapat menari Hip Hop. Namun karena di Surabaya belum memiliki fasilitas yang memadai bagi semua penari Hip Hop termasuk penari difable untuk menari dan memiliki tempat pertunjukan yang berkarakter Hi...

  11. Hydrogen isotope in erbium oxide: Adsorption, penetration, diffusion, and vacancy trapping

    International Nuclear Information System (INIS)

    Mao, Wei; Chikada, Takumi; Suzuki, Akihiro; Terai, Takayuki; Matsuzaki, Hiroyuki

    2015-01-01

    Highlights: • H adsorption on cubic Er 2 O 3 surface results in electron transfer from H to the surface. • The H penetration energy of at least 1.6 eV is required for cubic Er 2 O 3 surface. • The dominated mechanisms of H diffusion in bulk Er 2 O 3 are elucidated. • H diffusion near or at vacancies in Er 2 O 3 is an exothermic reaction. - Abstract: In this study, we report results using first-principles density functional theory calculations for four critical aspects of the interaction: H adsorption on Er 2 O 3 surface, surface-to-subsurface penetration of H into Er 2 O 3 , bulk diffusion of H in Er 2 O 3 , and trapping of H at vacancies. We identify surface stable adsorption positions and find that H prefers to transfer electrons to the surfaces and form covalent bonds with the nearest neighboring four oxygen atoms. For low surface coverage of H as in our case (0.89 × 10 14 H/cm 2 ), a penetration energy of at least 1.60 eV is required for cubic Er 2 O 3 surfaces. Further, the H diffusion barrier between the planes defined by Er 2 O 3 units along the favorable <1 1 1> direction is found to be very small – 0.16 eV – whereas higher barriers of 0.41 eV and 1.64 eV are required for diffusion across the planes, somewhat higher than the diffusion energy barrier of 0.20 eV observed experimentally at 873 K. In addition, we predict that interstitial H is exothermically trapped when it approaches a vacancy with the vacancy defect behaving as an electron trap since the H-vacancy defect is found to be more stable than the intrinsic defect

  12. Mathematical modeling of oxygen transport in solid oxide fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Svensson, Ann Mari

    1997-12-31

    This thesis develops mathematical models to describe the electrochemical performance of a solid oxide fuel cell cathode based on electrochemical kinetics and mass transfer. The individual effects of various coupled processes are investigated. A one-dimensional model is developed based on porous electrode theory. Two different mechanisms are investigated for the charge transfer reaction. One of these assumes that intermediately adsorbed oxygen atoms are reduced at the electrode/electrolyte interface, similar to the models proposed for metal electrodes. Simulated polarization curves exhibit limited currents due to depletion of oxygen adsorbates at high cathodic overvoltages. An empirical correlation is confirmed to exist between the limiting current an the oxygen partial pressure, however, a similar correlation often assumed to exist between the measured polarization resistance and the oxygen partial pressure could not be justified. For the other model, oxygen vacancies are assumed to be exchanged directly at the electrode/electrolyte interface. The electrochemical behaviour is improved by reducing the oxygen partial pressure, due to increased vacancy concentration of the electrode material. Simulated polarization curves exhibit Tafel-like slopes in the cathodic direction, which are due to polarization concentration, and not activation polarization in the conventional sense. Anodic limiting currents are predicted due to lack of available free sites for vacancy exchange at the cathode side. The thesis also presents a theoretical treatment of current and potential distributions in simple two-dimensional cell geometries, and a two-dimensional model for a porous electrode-electrolyte system for investigation of the effect of interfacial diffusion of adsorbates along the electrode/electrolyte interface. 172 refs., 60 figs., 11 tabs.

  13. Positron-annihilation study of oxygen-deficient YBa2Cu3Ox (6.3

    International Nuclear Information System (INIS)

    Tang, C.Q.; Li, B.R.; Chen, A.

    1990-01-01

    We have measured the positron-lifetime spectra of oxygen-deficient YBa 2 Cu 3 O x for 6.3 m , τ 1 , τ 2 , and I 2 have a significant oxygen-content dependence. It is suggested that there are many kinds of positron states in polycrystalline YBa 2 Cu 3 O x , the disordering of O(1) vacancies strongly affects positron lifetime, and with gradually decreasing x the average electronic density decreases and the configuration and/or the charge states of the oxygen vacancies change in the region containing Cu(1)-O(1) chains

  14. Probing of O2 vacancy defects and correlated magnetic, electrical and photoresponse properties in indium-tin oxide nanostructures by spectroscopic techniques

    Science.gov (United States)

    Ghosh, Shyamsundar; Dev, Bhupendra Nath

    2018-05-01

    Indium-tin oxide (ITO) 1D nanostructures with tunable morphologies i.e. nanorods, nanocombs and nanowires are grown on c-axis (0 0 0 1) sapphire (Al2O3) substrate in oxygen deficient atmosphere through pulsed laser deposition (PLD) technique and the effect of oxygen vacancies on optical, electrical, magnetic and photoresponse properties is investigated using spectroscopic methods. ITO nanostructures are found to be enriched with significant oxygen vacancy defects as evident from X-ray photoelectron and Raman spectroscopic analysis. Photoluminescence spectra exhibited intense mid-band blue emission at wavelength of region of 400-450 nm due to the electronic transition from conduction band maxima (CBM) to the singly ionized oxygen-vacancy (VO+) defect level within the band-gap. Interestingly, ITO nanostructures exhibited significant room-temperature ferromagnetism (RTFM) and the magnetic moment found proportional to concentration of VO+ defects which indicates VO+ defects are mainly responsible for the observed RTFM in nanostructures. ITO nanowires being enriched with more VO+ defects exhibited strongest RTFM as compared to other morphologies. Current voltage (I-V) characteristics of ITO nanostructures showed an enhancement of current under UV light as compared to dark which indicates such 1D nanostructure can be used as photovoltaic material. Hence, the study shows that there is ample opportunity to tailor the properties of ITOs through proper defect engineering's and such photosensitive ferromagnetic semiconductors might be promising for spintronic and photovoltaic applications.

  15. Electronic and vibrational hopping transport in boron carbides

    International Nuclear Information System (INIS)

    Emin, D.

    1991-01-01

    General concepts of hopping-type transport and localization are reviewed. Disorder, electronic correlations and atomic displacements, effects ignored in electronic band structure calculations, foster localization of electronic charge carriers. Examples are given that illustrate the efficacy of these effects in producing localization. This introduction is followed by a brief discussion of the relation between hopping-type transport and localization. The fundamentals of the formation, localization, and hopping transport of small polarons and/or bipolarons is then described. Electronic transport in boron carbides is presented as an example of the adiabatic hopping of small bipolarons. Finally, the notion of vibrational hopping is introduced. The high-temperature thermal diffusion in boron carbides is presented as a potential application of this idea

  16. HIP HOP for HIV Awareness: Using Hip Hop Culture to Promote Community-Level HIV Prevention

    Science.gov (United States)

    Hill, Mandy J.; Hallmark, Camden J.; McNeese, Marlene; Blue, Nike; Ross, Michael W.

    2014-01-01

    The goal of this paper was to determine the effectiveness of the HIP HOP for HIV Awareness intervention, an innovative model utilising an exchange of an HIV test for a hip hop concert ticket, in a metropolitan city among African American youth and young adults. A subset of intervention participants participated in standardised testing, sex…

  17. Oxygen Transport Membranes

    Energy Technology Data Exchange (ETDEWEB)

    S. Bandopadhyay

    2008-08-30

    The focus of this research was to develop new membrane materials by synthesizing different compounds and determining their defect structures, crystallographic structures and electrical properties. In addition to measuring electrical conductivity, oxygen vacancy concentration was also evaluated using thermogravimetry, Neutron diffraction and Moessbauer Spectroscopy. The reducing conditions (CO{sub 2}/CO/H{sub 2} gas mixtures with steam) as encountered in a reactor environment can be expected to have significant influence on the mechanical properties of the oxides membranes. Various La based materials with and without Ti were selected as candidate membrane materials for OTM. The maximum electrical conductivity of LSF in air as a function of temperature was achieved at < 600 C and depends on the concentration of Sr (acceptor dopant). Oxygen occupancy in LSF was estimated using Neutron diffractometry and Moessbauer Spectroscopy by measuring magnetic moment changes depending on the Fe{sup 3+} and Fe{sup 4+} ratio. After extensive studies of candidate materials, lanthanum ferrites (LSF and LSFT) were selected as the favored materials for the oxygen transport membrane (OTM). LSF is a very good material for an OTM because of its high electronic and oxygen ionic conductivity if long term stability and mechanical strength are improved. LSFT not only exhibits p-type behavior in the high oxygen activity regime, but also has n-type conduction in reducing atmospheres. Higher concentrations of oxygen vacancies in the low oxygen activity regime may improve the performance of LSFT as an OTM. The hole concentration is related to the difference in the acceptor and donor concentration by the relation p = [Sr'{sub La}]-[Ti{sm_bullet}{sub Fe}]. The chemical formulation predicts that the hole concentration is, p = 0.8-0.45 or 0.35. Experimental measurements indicated that p is about {approx} 0.35. The activation energy of conduction is 0.2 eV which implies that LSCF conducts via the

  18. Direct Visualization of 2-Butanol Adsorption and Dissociation on TiO2(110)

    International Nuclear Information System (INIS)

    Zhang, Zhenrong; Bondarchuk, Olexsandr; Kay, Bruce D.; White, J. M.; Dohnalek, Zdenek

    2007-01-01

    Atomically resolved scanning tunneling microscopy (STM) images of identical regions of a TiO2(110) surface were gathered before and after controlled doses of 2-butanol (CH3CH2CH(OH)CH3) at ambient temperature (∼300 K). When dosing is initiated, 2-butanol preferentially adsorbs at bridge-bonded oxygen vacancy (BBOv) sites and dissociates via O-H, not C-O, bond scission to form paired 2-butoxy and hydroxyl species evidenced by two local maxima in STM line profiles. The measured separation is 0.4 nm, slightly larger than the measured separation (0.3 nm) between neighboring bridge-bonded oxygen anions in the surface unit cell of TiO2(110). As the dose increases, but before all the BBOv are occupied, there is direct STM evidence of hydroxyl proton hopping to an adjacent oxygen anion row. This process is facilitated by species bound to 5-coordinate Ti4+ rows, presumably undissociated 2-butanol, that hop slowly compared the STM imaging time scale. The backbones of these mobile species are centered over the Ti4+ rows with preference for lying parallel to these rows. On the other hand, the carbon backbones of the 2-butoxy species that fill BBOv's are centered over the O2- rows and prefer an orientation perpendicular to these rows. As the oxygen vacancy concentration increases from 0.4 to 11% and 2-butanol is dosed the ratio of mobile species to 2-butoxy species decreases for doses that do not fill all the BBOv

  19. Enhanced tunability of electrical and magnetic properties in (La,Sr)MnO3 thin films via field-assisted oxygen vacancy modulation

    Science.gov (United States)

    Wong, Hon Fai; Ng, Sheung Mei; Cheng, Wang Fai; Liu, Yukuai; Chen, Xinxin; von Nordheim, Danny; Mak, Chee Leung; Dai, Jiyan; Ploss, Bernd; Leung, Chi Wah

    2017-12-01

    We investigated the tunability of the transport and magnetic properties in 7.5 nm La0.7Sr0.3MnO3 (LSMO) epitaxial films in a field effect geometry with the ferroelectric copolymer P(VDF-TrFE) as the gate insulator. Two different switching behaviors were observed upon application of gate voltages with either high or low magnitudes. The application of single voltage pulses of alternating polarity with an amplitude high enough to switch the remanent polarization of the ferroelectric copolymer led to a 15% change of the resistance of the LSMO channel at temperature 300 K (but less than 1% change at 20 K). A minimal shift of the peak in the resistance-temperature plot was observed, implying that the Curie temperature TC of the manganite layer is not changed. Alternatively, the application of a chain of low voltage pulses was found to shift TC by more than 16 K, and a change of the channel resistance by a 45% was obtained. We attribute this effect to the field-assisted injection and removal of oxygen vacancies in the LSMO layer, which can occur across the thickness of the oxide film. By controlling the oxygen migration, the low-field switching route offers a simple method for modulating the electric and magnetic properties of manganite films.

  20. Density functional study on the heterogeneous oxidation of NO over α-Fe{sub 2}O{sub 3} catalyst by H{sub 2}O{sub 2}: Effect of oxygen vacancy

    Energy Technology Data Exchange (ETDEWEB)

    Song, Zijian, E-mail: szj22zc15@163.com [State Key Laboratory of Coal Combustion, School of Energy and Power Engineering, Huazhong University of Science and Technology, 430074, Wuhan (China); Wang, Ben, E-mail: benwang@hust.edu.cn [State Key Laboratory of Coal Combustion, School of Energy and Power Engineering, Huazhong University of Science and Technology, 430074, Wuhan (China); Yu, Jie, E-mail: yujie@hust.edu.cn [State Key Laboratory of Coal Combustion, School of Energy and Power Engineering, Huazhong University of Science and Technology, 430074, Wuhan (China); Ma, Chuan, E-mail: machuan628@163.com [State Key Laboratory of Coal Combustion, School of Energy and Power Engineering, Huazhong University of Science and Technology, 430074, Wuhan (China); Zhou, Changsong, E-mail: zhouchangsong@hust.edu.cn [School of Energy and Mechanical Engineering, Nanjing Normal University, 210042, Nanjing (China); Chen, Tao, E-mail: chentao_hust@foxmail.com [State Key Laboratory of Coal Combustion, School of Energy and Power Engineering, Huazhong University of Science and Technology, 430074, Wuhan (China); Yan, Qianqian [State Key Laboratory of Coal Combustion, School of Energy and Power Engineering, Huazhong University of Science and Technology, 430074, Wuhan (China); Wang, Ke, E-mail: m201570959@hust.edu.cn [State Key Laboratory of Coal Combustion, School of Energy and Power Engineering, Huazhong University of Science and Technology, 430074, Wuhan (China); Sun, Lushi, E-mail: sunlushi@hust.edu.cn [State Key Laboratory of Coal Combustion, School of Energy and Power Engineering, Huazhong University of Science and Technology, 430074, Wuhan (China)

    2017-08-15

    Highlights: • NO and H{sub 2}O{sub 2} adsorption on perfect and oxygen defect α-Fe{sub 2}O{sub 3} (0 0 1) surface were studied by DFT calculations. • H{sub 2}O{sub 2} shows high chemical reactivity for its adsorption on oxygen defect α-Fe{sub 2}O{sub 3} (0 0 1) surface. • Oxygen vacancy plays an important role of the catalytic oxidation of NO by H{sub 2}O{sub 2} over the α-Fe{sub 2}O{sub 3} catalyst surfaces. • Mechanism of NO oxidation over α-Fe{sub 2}O{sub 3} (0 0 1) surface by H{sub 2}O{sub 2} was explained. - Abstract: Catalytic oxidation with H{sub 2}O{sub 2} is a promising method for NOx emission control in coal-fired power plants. Hematite-based catalysts are attracting increased attention because of their surface redox reactivity. To elucidate the NO oxidation mechanism on α-Fe{sub 2}O{sub 3} surfaces, density functional theory (DFT) calculations were conducted by investigating the adsorption characteristics of nitric oxide (NO) and hydrogen peroxide (H{sub 2}O{sub 2}) on perfect and oxygen defect α-Fe{sub 2}O{sub 3} (0 0 1) surfaces. Results show that NO was molecularly adsorbed on two kinds of surfaces. H{sub 2}O{sub 2} adsorption on perfect surface was also in a molecular form; however, H{sub 2}O{sub 2} dissociation occurred on oxygen defect α-Fe{sub 2}O{sub 3} (0 0 1) surface. The adsorption intensities of the two gas molecules in perfect α-Fe{sub 2}O{sub 3} (0 0 1) surface followed the order NO > H{sub 2}O{sub 2}, and the opposite was true for the oxygen defect α-Fe{sub 2}O{sub 3} (0 0 1). Oxygen vacancy remarkably enhanced the adsorption intensities of NO and H{sub 2}O{sub 2} and promoted H{sub 2}O{sub 2} decomposition on catalyst surface. As an oxidative product of NO, HNO{sub 2} was synthesized when NO and H{sub 2}O{sub 2} co-adsorbed on the oxygen defect α-Fe{sub 2}O{sub 3} (0 0 1) surface. Analyses of Mulliken population, electron density difference, and partial density of states showed that H{sub 2}O{sub 2} decomposition

  1. OXYGEN TRANSPORT CERAMIC MEMBRANES

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Sukumar Bandopadhyay; Dr. Nagendra Nagabhushana

    2000-10-01

    This is the third quarterly report on oxygen Transport Ceramic Membranes. In the following, the report describes the progress made by our university partners in Tasks 1 through 6, experimental apparatus that was designed and built for various tasks of this project, thermodynamic calculations, where applicable and work planned for the future. (Task 1) Design, fabricate and evaluate ceramic to metal seals based on graded ceramic powder/metal braze joints. (Task 2) Evaluate the effect of defect configuration on ceramic membrane conductivity and long term chemical and structural stability. (Task 3) Determine materials mechanical properties under conditions of high temperatures and reactive atmospheres. (Task 4) Evaluate phase stability and thermal expansion of candidate perovskite membranes and develop techniques to support these materials on porous metal structures. (Task 5) Assess the microstructure of membrane materials to evaluate the effects of vacancy-impurity association, defect clusters, and vacancy-dopant association on the membrane performance and stability. (Task 6) Measure kinetics of oxygen uptake and transport in ceramic membrane materials under commercially relevant conditions using isotope labeling techniques.

  2. Revolutionizing Environmental Education through Indigenous Hip Hop Culture

    Science.gov (United States)

    Gorlewski, Julie; Porfilio, Brad J.

    2012-01-01

    Based upon the life histories of six Indigenous hip hop artists of the Beat Nation artist collective, this essay captures how Indigenous hip hop has the potential to revolutionize environmental education. Hip hop provides Indigenous youth an emancipatory space to raise their opposition to neocolonial controls of Indigenous territories that…

  3. Performance analysis of multi-hop wireless packet networks

    Directory of Open Access Journals (Sweden)

    Lim J.-T.

    1997-01-01

    Full Text Available In this paper, a unified analytical framework for performance analysis of multi-hop wireless packet networks is developed. The effect of coupling between the hops on the degradation of the delay-throughput characteristics and the probability of blocking is investigated. The issue of hop decoupling is addressed.

  4. Density functional study of NO adsorption on undefected and oxygen defective Au–BaO(1 0 0) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Añez, Rafael, E-mail: ranez@ivic.gob.ve [Laboratorio de Química Física y Catálisis Computacional, Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado, 21827 Caracas (Venezuela, Bolivarian Republic of); Sierraalta, Aníbal; Bastardo, Anelisse [Laboratorio de Química Física y Catálisis Computacional, Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado, 21827 Caracas (Venezuela, Bolivarian Republic of); Coll, David [Laboratorio de Físico Química Teórica de Materiales, Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado, 21827 Caracas (Venezuela, Bolivarian Republic of); Garcia, Belkis [Instituto Universitario de Tecnología de Valencia IUTVAL, Valencia, Edo. Carabobo (Venezuela, Bolivarian Republic of)

    2014-07-01

    A periodic density functional approach has been used in order to explore the interaction of NO with undoped and Au doped BaO(1 0 0) surface. Due to oxygen vacancies increase the interaction between the doping metal and the surface, F{sub S} and F{sub S}{sup +} vacancies were studied and compared with the results obtained on the undefected doped BaO(1 0 0). Our results indicate that the high basicity of the BaO surface, besides the electron density changes produced by the oxygen vacancies, modify considerably how the Au atom interacts with the surface increasing the ionic character of the interaction. F{sub S} vacancy shows to be a promise center to activate de NO bond on the BaO(1 0 0) surface.

  5. Tungsten oxides. I. Effects of oxygen vacancies and doping on electronic and optical properties of different phases of WO3

    Science.gov (United States)

    Migas, D. B.; Shaposhnikov, V. L.; Rodin, V. N.; Borisenko, V. E.

    2010-11-01

    In this part we present results of our ab initio calculations indicating that dispersion of the bands near the gap region for different phases of WO3 (namely, ɛ-WO3, δ-WO3, γ-WO3, β-WO3, orth-WO3, α-WO3, and hex-WO3) is rather close. The rapid increase in the absorption coefficient starts at the lower energy range for α-WO3 and hex-WO3 than for the other phases in accordance with the calculated band gaps. An oxygen vacancy has turned out to decrease the gap by 0.50 eV and to shift the absorption coefficient to the lower energy range in the room temperature γ-WO3 phase. We have also traced changes caused by molybdenum and sulfur doping of γ-WO3. Only sulfur doped γ-WO3 has been revealed to display the formation of the impurity band along with a sizable reduction in the gap and the shift in the absorption coefficient to the lower energy range.

  6. Communication: Fully coherent quantum state hopping

    Energy Technology Data Exchange (ETDEWEB)

    Martens, Craig C., E-mail: cmartens@uci.edu [University of California, Irvine, California 92697-2025 (United States)

    2015-10-14

    In this paper, we describe a new and fully coherent stochastic surface hopping method for simulating mixed quantum-classical systems. We illustrate the approach on the simple but unforgiving problem of quantum evolution of a two-state quantum system in the limit of unperturbed pure state dynamics and for dissipative evolution in the presence of both stationary and nonstationary random environments. We formulate our approach in the Liouville representation and describe the density matrix elements by ensembles of trajectories. Population dynamics are represented by stochastic surface hops for trajectories representing diagonal density matrix elements. These are combined with an unconventional coherent stochastic hopping algorithm for trajectories representing off-diagonal quantum coherences. The latter generalizes the binary (0,1) “probability” of a trajectory to be associated with a given state to allow integers that can be negative or greater than unity in magnitude. Unlike existing surface hopping methods, the dynamics of the ensembles are fully entangled, correctly capturing the coherent and nonlocal structure of quantum mechanics.

  7. Wireless Multi Hop Access Networks and Protocols

    OpenAIRE

    Nilsson Plymoth, Anders

    2007-01-01

    As more and more applications and services in our society now depend on the Internet, it is important that dynamically deployed wireless multi hop networks are able to gain access to the Internet and other infrastructure networks and services. This thesis proposes and evaluates solutions for providing multi hop Internet Access. It investigates how ad hoc networks can be combined with wireless and mesh networks in order to create wireless multi hop access networks. When several access points t...

  8. Oxygen and disorder effect in the magnetic properties of manganite films

    Energy Technology Data Exchange (ETDEWEB)

    Sirena, M. E-mail: sirenam@ib.cnea.gov.ar; Haberkorn, N.; Granada, M.; Steren, L.B.; Guimpel, J

    2004-05-01

    We have made a systematic study of the magnetic properties of low doped manganite films submitted to different oxygenation treatments. We have found that oxygenation dynamics depends critically of the strain field in the sample. The T{sub C} and the Mr increase as the oxygen content is increased. A decrease of the coercive field of the LSMO-STO films was observed, indicating that annealing treatments increase the oxygen content reducing oxygen vacancies.

  9. Oxygen and disorder effect in the magnetic properties of manganite films

    International Nuclear Information System (INIS)

    Sirena, M.; Haberkorn, N.; Granada, M.; Steren, L.B.; Guimpel, J.

    2004-01-01

    We have made a systematic study of the magnetic properties of low doped manganite films submitted to different oxygenation treatments. We have found that oxygenation dynamics depends critically of the strain field in the sample. The T C and the Mr increase as the oxygen content is increased. A decrease of the coercive field of the LSMO-STO films was observed, indicating that annealing treatments increase the oxygen content reducing oxygen vacancies

  10. Hip-Hop Is My Passport! Using Hip-Hop and Digital Literacies to Understand Global Citizenship Education

    Science.gov (United States)

    Horton, Akesha Monique

    2013-01-01

    Hip-hop has exploded around the world among youth. It is not simply an American source of entertainment; it is a global cultural movement that provides a voice for youth worldwide who have not been able to express their "cultural world" through mainstream media. The emerging field of critical hip-hop pedagogy has produced little…

  11. Suppression of Plant Immune Responses by the Pseudomonas savastanoi pv. savastanoi NCPPB 3335 Type III Effector Tyrosine Phosphatases HopAO1 and HopAO2

    Directory of Open Access Journals (Sweden)

    María Pilar Castañeda-Ojeda

    2017-05-01

    Full Text Available The effector repertoire of the olive pathogen P. savastanoi pv. savastanoi NCPPB 3335 includes two members of the HopAO effector family, one of the most diverse T3E families of the P. syringae complex. The study described here explores the phylogeny of these dissimilar members, HopAO1 and HopAO2, among the complex and reveals their activities as immune defense suppressors. Although HopAO1 is predominantly encoded by phylogroup 3 strains isolated from woody organs of woody hosts, both HopAO1 and HopAO2 are phylogenetically clustered according to the woody/herbaceous nature of their host of isolation, suggesting host specialization of the HopAO family across the P. syringae complex. HopAO1 and HopAO2 translocate into plant cells and show hrpL-dependent expression, which allows their classification as actively deployed type III effectors. Our data also show that HopAO1 and HopAO2 possess phosphatase activity, a hallmark of the members of this family. Both of them exert an inhibitory effect on early plant defense responses, such as ROS production and callose deposition, and are able to suppress ETI responses induced by the effectorless polymutant of P. syringae pv. tomato DC3000 (DC3000D28E in Nicotiana. Moreover, we demonstrate that a ΔhopAO1 mutant of P. savastanoi NCPBB 3335 exhibits a reduced fitness and virulence in olive plants, which supports the relevance of this effector during the interaction of this strain with its host plants. This work contributes to the field with the first report regarding functional analysis of HopAO homologs encoded by P. syringae or P. savastanoi strains isolated from woody hosts.

  12. Suppression of Plant Immune Responses by the Pseudomonas savastanoi pv. savastanoi NCPPB 3335 Type III Effector Tyrosine Phosphatases HopAO1 and HopAO2

    Science.gov (United States)

    Castañeda-Ojeda, María Pilar; Moreno-Pérez, Alba; Ramos, Cayo; López-Solanilla, Emilia

    2017-01-01

    The effector repertoire of the olive pathogen P. savastanoi pv. savastanoi NCPPB 3335 includes two members of the HopAO effector family, one of the most diverse T3E families of the P. syringae complex. The study described here explores the phylogeny of these dissimilar members, HopAO1 and HopAO2, among the complex and reveals their activities as immune defense suppressors. Although HopAO1 is predominantly encoded by phylogroup 3 strains isolated from woody organs of woody hosts, both HopAO1 and HopAO2 are phylogenetically clustered according to the woody/herbaceous nature of their host of isolation, suggesting host specialization of the HopAO family across the P. syringae complex. HopAO1 and HopAO2 translocate into plant cells and show hrpL-dependent expression, which allows their classification as actively deployed type III effectors. Our data also show that HopAO1 and HopAO2 possess phosphatase activity, a hallmark of the members of this family. Both of them exert an inhibitory effect on early plant defense responses, such as ROS production and callose deposition, and are able to suppress ETI responses induced by the effectorless polymutant of P. syringae pv. tomato DC3000 (DC3000D28E) in Nicotiana. Moreover, we demonstrate that a ΔhopAO1 mutant of P. savastanoi NCPBB 3335 exhibits a reduced fitness and virulence in olive plants, which supports the relevance of this effector during the interaction of this strain with its host plants. This work contributes to the field with the first report regarding functional analysis of HopAO homologs encoded by P. syringae or P. savastanoi strains isolated from woody hosts. PMID:28529516

  13. Particle hopping vs. fluid-dynamical models for traffic flow

    Energy Technology Data Exchange (ETDEWEB)

    Nagel, K.

    1995-12-31

    Although particle hopping models have been introduced into traffic science in the 19509, their systematic use has only started recently. Two reasons for this are, that they are advantageous on modem computers, and that recent theoretical developments allow analytical understanding of their properties and therefore more confidence for their use. In principle, particle hopping models fit between microscopic models for driving and fluiddynamical models for traffic flow. In this sense, they also help closing the conceptual gap between these two. This paper shows connections between particle hopping models and traffic flow theory. It shows that the hydrodynamical limits of certain particle hopping models correspond to the Lighthill-Whitham theory for traffic flow, and that only slightly more complex particle hopping models produce already the correct traffic jam dynamics, consistent with recent fluid-dynamical models for traffic flow. By doing so, this paper establishes that, on the macroscopic level, particle hopping models are at least as good as fluid-dynamical models. Yet, particle hopping models have at least two advantages over fluid-dynamical models: they straightforwardly allow microscopic simulations, and they include stochasticity.

  14. Hip-hop as a resource for understanding the urban context

    Science.gov (United States)

    Brown, Bryan

    2010-06-01

    This review explores Edmin's "Science education for the hip-hop generation" by documenting how he frames hip-hop as a means to access urban student culture. He argues that hip-hop is more than a mere music genre, but rather a culture that provides young people with ways of connecting to the world. Two primary ideas emerged as central to his work. First, he contends that students develop communal relationships and collective identities based on the common experiences expressed in hip-hop. Second, he identifies how the conscious recognition of institutional oppression serves a central feature in urban schools. Emdin's rich, and personal call for a greater understanding of hip-hop culture provides the text with an unmatched strength. He skillfully uses personal narratives from his own experience as well as quotes and references from hip-hop songs to make the nuances of hip hop transparent to science educators. Conversely, the limitation of this text is found in its unfulfilled promise to provide pragmatic examples of how to engage in a hip-hop based science education. Emdin's work is ultimately valuable as it extends our current knowledge about urban students and hip-hop in meaningful ways.

  15. Vacancies in thermal equilibrium in Nb

    International Nuclear Information System (INIS)

    Nielsen, B.; Lynn, K.G.; Hurst, J.; Vehanen, A.; Schultz, P.J.

    1985-06-01

    We have measured the diffusion of positrons in Nb(110) in the temperature range from 300K to 2450K utilizing a variable energy positron beam. The purpose was to study the vacancy formation. However, no significant sign of vacancy trapping was observed. This could be due to a high detrapping rate caused by a low positron binding energy or due to a high vacancy formation enthalpy H/sub IV//sup F/. The last possibility is consistent with recent studies of the vacancy migration and with calculation of the positron binding energy. In this case we find the H/sub IV//sup F/ > 3 eV

  16. 7 CFR 1221.105 - Vacancies.

    Science.gov (United States)

    2010-01-01

    ... Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (MARKETING AGREEMENTS... INFORMATION ORDER Sorghum Promotion, Research, and Information Order Sorghum Promotion, Research, and Information Board § 1221.105 Vacancies. To fill any vacancy occasioned by the death, removal, resignation, or...

  17. High-Speed On-Board Data Processing for Science Instruments: HOPS

    Science.gov (United States)

    Beyon, Jeffrey

    2015-01-01

    The project called High-Speed On-Board Data Processing for Science Instruments (HOPS) has been funded by NASA Earth Science Technology Office (ESTO) Advanced Information Systems Technology (AIST) program during April, 2012 â€" April, 2015. HOPS is an enabler for science missions with extremely high data processing rates. In this three-year effort of HOPS, Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) and 3-D Winds were of interest in particular. As for ASCENDS, HOPS replaces time domain data processing with frequency domain processing while making the real-time on-board data processing possible. As for 3-D Winds, HOPS offers real-time high-resolution wind profiling with 4,096-point fast Fourier transform (FFT). HOPS is adaptable with quick turn-around time. Since HOPS offers reusable user-friendly computational elements, its FPGA IP Core can be modified for a shorter development period if the algorithm changes. The FPGA and memory bandwidth of HOPS is 20 GB/sec while the typical maximum processor-to-SDRAM bandwidth of the commercial radiation tolerant high-end processors is about 130-150 MB/sec. The inter-board communication bandwidth of HOPS is 4 GB/sec while the effective processor-to-cPCI bandwidth of commercial radiation tolerant high-end boards is about 50-75 MB/sec. Also, HOPS offers VHDL cores for the easy and efficient implementation of ASCENDS and 3-D Winds, and other similar algorithms. A general overview of the 3-year development of HOPS is the goal of this presentation.

  18. Suppression of oxygen diffusion by thin Al2O3 films grown on SrTiO3 studied using a monoenergetic positron beam

    International Nuclear Information System (INIS)

    Uedono, A.; Kiyohara, M.; Yasui, N.; Yamabe, K.

    2005-01-01

    The annealing behaviors of oxygen vacancies introduced by the epitaxial growth of thin SrTiO 3 and Al 2 O 3 films on SrTiO 3 substrates were studied by using a monoenergetic positron beam. The films were grown by molecular-beam epitaxy without using an oxidant. The Doppler broadening spectra of the annihilation radiation were measured as a function of the incident positron energy for samples fabricated under various growth conditions. The line-shape parameter S, corresponding to the annihilation of positrons in the substrate, was increased by the film growth, suggesting diffusion of oxygen from the substrate into the film and a resultant introduction of vacancies (mainly oxygen vacancies). A clear correlation between the value of S and the substrate conductivity was obtained. From isochronal annealing experiments, the Al 2 O 3 thin film was found to suppress the penetration of oxygen from the atmosphere for annealing temperatures below 600 deg. C. Degradation of the film's oxygen blocking property occurred due to the annealing at 700 deg. C, and this was attributed to the oxidation of the Al 2 O 3 by the atmosphere and the resultant introduction of vacancy-type defects

  19. Research on synchronization technology of frequency hopping communication system

    Science.gov (United States)

    Zhao, Xiangwu; Quan, Houde; Cui, Peizhang

    2018-05-01

    Frequency Hopping (FH) communication is a technology of spread spectrum communication. It has strong anti-interference, anti-interception and security capabilities, and has been widely applied in the field of communications. Synchronization technology is one of the most crucial technologies in frequency hopping communication. The speed of synchronization establishment and the reliability of synchronous system directly affect the performance of frequency hopping communication system. Therefore, the research of synchronization technology in frequency hopping communication has important value.

  20. Scaffold hopping in drug discovery using inductive logic programming.

    Science.gov (United States)

    Tsunoyama, Kazuhisa; Amini, Ata; Sternberg, Michael J E; Muggleton, Stephen H

    2008-05-01

    In chemoinformatics, searching for compounds which are structurally diverse and share a biological activity is called scaffold hopping. Scaffold hopping is important since it can be used to obtain alternative structures when the compound under development has unexpected side-effects. Pharmaceutical companies use scaffold hopping when they wish to circumvent prior patents for targets of interest. We propose a new method for scaffold hopping using inductive logic programming (ILP). ILP uses the observed spatial relationships between pharmacophore types in pretested active and inactive compounds and learns human-readable rules describing the diverse structures of active compounds. The ILP-based scaffold hopping method is compared to two previous algorithms (chemically advanced template search, CATS, and CATS3D) on 10 data sets with diverse scaffolds. The comparison shows that the ILP-based method is significantly better than random selection while the other two algorithms are not. In addition, the ILP-based method retrieves new active scaffolds which were not found by CATS and CATS3D. The results show that the ILP-based method is at least as good as the other methods in this study. ILP produces human-readable rules, which makes it possible to identify the three-dimensional features that lead to scaffold hopping. A minor variant of a rule learnt by ILP for scaffold hopping was subsequently found to cover an inhibitor identified by an independent study. This provides a successful result in a blind trial of the effectiveness of ILP to generate rules for scaffold hopping. We conclude that ILP provides a valuable new approach for scaffold hopping.

  1. Extreme Kinematics in Selected Hip Hop Dance Sequences.

    Science.gov (United States)

    Bronner, Shaw; Ojofeitimi, Sheyi; Woo, Helen

    2015-09-01

    Hip hop dance has many styles including breakdance (breaking), house, popping and locking, funk, streetdance, krumping, Memphis jookin', and voguing. These movements combine the complexity of dance choreography with the challenges of gymnastics and acrobatic movements. Despite high injury rates in hip hop dance, particularly in breakdance, to date there are no published biomechanical studies in this population. The purpose of this study was to compare representative hip hop steps found in breakdance (toprock and breaking) and house and provide descriptive statistics of the angular displacements that occurred in these sequences. Six expert female hip hop dancers performed three choreographed dance sequences, top rock, breaking, and house, to standardized music-based tempos. Hip, knee, and ankle kinematics were collected during sequences that were 18 to 30 sec long. Hip, knee, and ankle three-dimensional peak joint angles were compared in repeated measures ANOVAs with post hoc tests where appropriate (pHip hop maximal joint angles exceeded reported activities of daily living and high injury sports such as gymnastics. Hip hop dancers work at weight-bearing joint end ranges where muscles are at a functional disadvantage. These results may explain why lower extremity injury rates are high in this population.

  2. Phosphorous–vacancy–oxygen defects in silicon

    KAUST Repository

    Wang, Hao

    2013-07-30

    Electronic structure calculations employing the hybrid functional approach are used to gain fundamental insight in the interaction of phosphorous with oxygen interstitials and vacancies in silicon. It recently has been proposed, based on a binding energy analysis, that phosphorous–vacancy–oxygen defects may form. In the present study we investigate the stability of this defect as a function of the Fermi energy for the possible charge states. Spin polarization is found to be essential for the charge neutral defect.

  3. Effects of grain boundaries at the electrolyte/cathode interfaces on oxygen reduction reaction kinetics of solid oxide fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Min Gi; Koo, Ja Yang; Ahn, Min Woo; Lee, Won Young [Dept. of Mechanical Engineering, Sungkyunkwan University, Suwon (Korea, Republic of)

    2017-04-15

    We systematically investigated the effects of grain boundaries (GBs) at the electrolyte/cathode interface of two conventional electrolyte materials, i.e., yttria-stabilized zirconia (YSZ) and gadolinia-doped ceria (GDC). We deposited additional layers by pulsed laser deposition to control the GB density on top of the polycrystalline substrates, obtaining significant improvements in peak power density (two-fold for YSZ and three-fold for GDC). The enhanced performance at high GB density in the additional layer could be ascribed to the accumulation of oxygen vacancies, which are known to be more active sites for oxygen reduction reactions (ORR) than grain cores. GDC exhibited a higher enhancement than YSZ, due to the easier formation, and thus higher concentration, of oxygen vacancies for ORR. The strong relation between the concentration of oxygen vacancies and the surface exchange characteristics substantiated the role of GBs at electrolyte/cathode interfaces on ORR kinetics, providing new design parameters for highly performing solid oxide fuel cells.

  4. Changing vacancy balance in ZnO by tuning synthesis between zinc/oxygen lean conditions

    Science.gov (United States)

    Venkatachalapathy, Vishnukanthan; Galeckas, Augustinas; Zubiaga, Asier; Tuomisto, Filip; Kuznetsov, Andrej Yu.

    2010-08-01

    The nature of intrinsic defects in ZnO films grown by metal organic vapor phase epitaxy was studied by positron annihilation and photoluminescence spectroscopy techniques. The supply of Zn and O during the film synthesis was varied by applying different growth temperatures (325-485 °C), affecting decomposition of the metal organic precursors. The microscopic identification of vacancy complexes was derived from a systematic variation in the defect balance in accordance with Zn/O supply trends.

  5. Surface oxygen vacancy and oxygen permeation flux limits of perovskite ion transport membranes

    KAUST Repository

    Hunt, Anton; Dimitrakopoulos, Georgios; Ghoniem, Ahmed F.

    2015-01-01

    © 2015 Elsevier B.V. The mechanisms and quantitative models for how oxygen is separated from air using ion transport membranes (ITMs) are not well understood, largely due to the experimental complexity for determining surface exchange reactions

  6. Hydrogen isotope in erbium oxide: Adsorption, penetration, diffusion, and vacancy trapping

    Energy Technology Data Exchange (ETDEWEB)

    Mao, Wei, E-mail: mao@nuclear.jp [Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan); The University Museum, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan); Chikada, Takumi [Department of Chemistry, Graduate School of Science, Shizuoka University, 836 Ohya, Suruga-ku, Shizuoka 422-8529 (Japan); Suzuki, Akihiro [Nuclear Professional School, School of Engineering, The University of Tokyo, 2-22, Shirakata-shirane, Tokai, Naka 319-1188, Ibaraki (Japan); Terai, Takayuki [Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan); Matsuzaki, Hiroyuki [The University Museum, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan)

    2015-03-15

    Highlights: • H adsorption on cubic Er{sub 2}O{sub 3} surface results in electron transfer from H to the surface. • The H penetration energy of at least 1.6 eV is required for cubic Er{sub 2}O{sub 3} surface. • The dominated mechanisms of H diffusion in bulk Er{sub 2}O{sub 3} are elucidated. • H diffusion near or at vacancies in Er{sub 2}O{sub 3} is an exothermic reaction. - Abstract: In this study, we report results using first-principles density functional theory calculations for four critical aspects of the interaction: H adsorption on Er{sub 2}O{sub 3} surface, surface-to-subsurface penetration of H into Er{sub 2}O{sub 3}, bulk diffusion of H in Er{sub 2}O{sub 3}, and trapping of H at vacancies. We identify surface stable adsorption positions and find that H prefers to transfer electrons to the surfaces and form covalent bonds with the nearest neighboring four oxygen atoms. For low surface coverage of H as in our case (0.89 × 10{sup 14} H/cm{sup 2}), a penetration energy of at least 1.60 eV is required for cubic Er{sub 2}O{sub 3} surfaces. Further, the H diffusion barrier between the planes defined by Er{sub 2}O{sub 3} units along the favorable <1 1 1> direction is found to be very small – 0.16 eV – whereas higher barriers of 0.41 eV and 1.64 eV are required for diffusion across the planes, somewhat higher than the diffusion energy barrier of 0.20 eV observed experimentally at 873 K. In addition, we predict that interstitial H is exothermically trapped when it approaches a vacancy with the vacancy defect behaving as an electron trap since the H-vacancy defect is found to be more stable than the intrinsic defect.

  7. Plasmodium falciparum Hop (PfHop Interacts with the Hsp70 Chaperone in a Nucleotide-Dependent Fashion and Exhibits Ligand Selectivity.

    Directory of Open Access Journals (Sweden)

    Tawanda Zininga

    Full Text Available Heat shock proteins (Hsps play an important role in the development and pathogenicity of malaria parasites. One of the most prominent functions of Hsps is to facilitate the folding of other proteins. Hsps are thought to play a crucial role when malaria parasites invade their host cells and during their subsequent development in hepatocytes and red blood cells. It is thought that Hsps maintain proteostasis under the unfavourable conditions that malaria parasites encounter in the host environment. Although heat shock protein 70 (Hsp70 is capable of independent folding of some proteins, its functional cooperation with heat shock protein 90 (Hsp90 facilitates folding of some proteins such as kinases and steroid hormone receptors into their fully functional forms. The cooperation of Hsp70 and Hsp90 occurs through an adaptor protein called Hsp70-Hsp90 organising protein (Hop. We previously characterised the Hop protein from Plasmodium falciparum (PfHop. We observed that the protein co-localised with the cytosol-localised chaperones, PfHsp70-1 and PfHsp90 at the blood stages of the malaria parasite. In the current study, we demonstrated that PfHop is a stress-inducible protein. We further explored the direct interaction between PfHop and PfHsp70-1 using far Western and surface plasmon resonance (SPR analyses. The interaction of the two proteins was further validated by co-immunoprecipitation studies. We observed that PfHop and PfHsp70-1 associate in the absence and presence of either ATP or ADP. However, ADP appears to promote the association of the two proteins better than ATP. In addition, we investigated the specific interaction between PfHop TPR subdomains and PfHsp70-1/ PfHsp90, using a split-GFP approach. This method allowed us to observe that TPR1 and TPR2B subdomains of PfHop bind preferentially to the C-terminus of PfHsp70-1 compared to PfHsp90. Conversely, the TPR2A motif preferentially interacted with the C-terminus of PfHsp90. Finally, we

  8. Hopping models for ion conduction in noncrystals

    DEFF Research Database (Denmark)

    Dyre, Jeppe; Schrøder, Thomas

    2007-01-01

    semiconductors). These universalities are subject of much current interest, for instance interpreted in the context of simple hopping models. In the present paper we first discuss the temperature dependence of the dc conductivity in hopping models and the importance of the percolation phenomenon. Next......, the experimental (quasi)universality of the ac conductivity is discussed. It is shown that hopping models are able to reproduce the experimental finding that the response obeys time-temperature superposition, while at the same time a broad range of activation energies is involved in the conduction process. Again...

  9. Relaxations in Ba{sub 2}BiTaO{sub 6} ceramics investigated by impedance and electric modulus spectroscopies

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues, Joao Elias Figuereido Soares [Departamento de Fisica - CCET, Universidade Federal do Maranhao, Campus do Bacanga, 65085-580, Sao Luis -MA (Brazil); Paschoal, Carlos William de Araujo, E-mail: paschoal@ufma.br [Departamento de Fisica - CCET, Universidade Federal do Maranhao, Campus do Bacanga, 65085-580, Sao Luis -MA (Brazil); Silva, Eder Nascimento [Departamento de Fisica - CCET, Universidade Federal do Maranhao, Campus do Bacanga, 65085-580, Sao Luis -MA (Brazil); Mince, Kathryn A.; Lufaso, Michael W. [Department of Chemistry, University of North Florida, 1 UNF Drive, Jacksonville, FL 32224 (United States)

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer We have confirmed that the relaxation observed in Ba{sub 2}BiTaO{sub 6} is due to the conduction mechanism. Black-Right-Pointing-Pointer The conduction mechanism is the oxygen vacancies hopping. Black-Right-Pointing-Pointer We have explained because the activation energy for the Ba{sub 2}BiTaO{sub 6} is lower than observed for Ba{sub 2}BiSbO{sub 6} with basis in zero-point energy of both materials. Black-Right-Pointing-Pointer We have showed that a minor secondary phase is a minor secondary phase, which is common when the BBTO is obtained by ceramic method under air, does not change significantly the electrical properties of BBTO. -- Abstract: Impedance spectroscopy analysis of the dielectric properties of a Ba{sub 2}BiTaO{sub 6} ceramic was performed in the temperature range from room temperature to 500 K. The sample was prepared using conventional solid state synthesis under air and the X-ray diffraction shows the presence of Ba{sub 5}Ta{sub 4}O{sub 15} as a minor secondary phase (0.09%). The impedance data clearly show contributions of the grain and grain boundary. The results indicate that the conduction in Ba{sub 2}BiTaO{sub 6} is due to hopping of oxygen vacancies and that the impurities not influence the conduction mechanism.

  10. How Does a Hopping Kangaroo Breathe?

    Science.gov (United States)

    Giuliodori, Mauricio J.; Lujan, Heidi L.; Janbaih, Hussein; DiCarlo, Stephen E.

    2010-01-01

    We developed a model to demonstrate how a hopping kangaroo breathes. Interestingly, a kangaroo uses less energy to breathe while hopping than while standing still. This occurs, in part, because rather than using muscle power to move air into and out of the lungs, air is pulled into (inspiration) and pushed out of (expiration) the lungs as the…

  11. Diffusion in a pure, high-vacancy-content crystal

    International Nuclear Information System (INIS)

    McKee, R.A.

    1981-01-01

    The idea that vacancies can follow a nonrandom walk in a solid has been developed and put into a quantitative form for diffusion in a pure, high-vacancy-content crystal. Intrinsic and tracer diffusion in a metal have been analyzed, and the electrical mobility in an ionic solid has been expressed in terms of the tracer diffusion coefficient and the separate correlation factors for atoms and vacancies. The description uses classical methods of diffusion theory, and generalized results that account for nonrandom vacancy walk have been shown to reduce to those obtained by Howard and Lidiard in a system where the vacancy moves randomly as an isolated point defect. Experimental data for carbon diffusion in fcc iron have been examined to illustrate an interstitial-vacancy analogy that was used in this analysis, and the general result has been applied specifically to discuss vacancy diffusion in Fe/sub 1-x/S

  12. Suppression of hop looper (Lepidoptera: Noctuidae) by the fungicide pyraclostrobin.

    Science.gov (United States)

    Woods, J L; Gent, D H

    2014-04-01

    The hop looper, Hypena humuli Harris, is a reemergent pest of hop that often requires treatment to mitigate crop damage. In 4 yr of field trials, plots treated with fungicides were observed to sustain less hop looper defoliation compared with nontreated plots. Further investigation revealed that abundance of hop looper and associated defoliation were reduced when the fungicide pyraclostrobin was applied in late July to early August. Two other fungicides possessing active ingredients in the same chemical family (quinone outside inhibitor) did not reduce abundance of hop looper or its defoliation. Pyraclostrobin is efficacious against powdery mildew diseases, and the application timing evaluated in these studies corresponds with a period of juvenile susceptibility of hop cones to the disease. Use of fungicides containing pyraclostrobin at this time may have the ancillary benefit of reducing hop looper damage, potentially obviating the need for broad-spectrum insecticides later in the season. Follow-up studies are warranted to determine whether pyraclostrobin may inhibit other lepidopteran species.

  13. From "They" Science to "Our" Science: Hip Hop Epistemology in STEAM Education

    Science.gov (United States)

    Dolberry, Maurice E.

    Hip hop has moved from being considered a type of music into being understood as a culture in which a prominent type of music originates. Hip hop culture has a philosophy and epistemological constructs as well. This study analyzed those constructs to determine how conceptions of science factor in hip hop worldviews. Pedagogical models in culturally responsive teaching and Science, Technology, Engineering, Arts, and Mathematics (STEAM) education were also examined to discern their philosophical connections with hip hop culture. These connections were used to create two theoretical models. The first one, Hip Hop Science, described how scientific thought functions in hip hop culture. The second model, Hip Hop STEAM Pedagogy, proposes how hip hop culture can inform STEAM teaching practices. The study began by using Critical Race Theory to create a theoretical framework proposing how the two theoretical models could be derived from the philosophical and pedagogical concepts. Content analysis and narrative inquiry were used to analyze data collected from scholarly texts, hip hop songs, and interviews with hip hop-responsive educators. The data from these sources were used initially to assess the adequacy of the proposed theoretical framework, and subsequently to improve its viability. Four overlapping themes emerged from the data analyses, including hip hop-resistance to formal education; how hip hop culture informs pedagogical practice in hip hop-responsive classrooms; conceptions of knowledge and reality that shape how hip hoppers conduct scientific inquiry; and hip hop-based philosophies of effective teaching for hip hoppers as a marginalized cultural group. The findings indicate that there are unique connections between hip hop epistemology, sciencemindedness, and pedagogical practices in STEAM education. The revised theoretical framework clarified the nature of these connections, and supported claims from prior research that hip hop culture provides viable sites of

  14. Hip-Hopping across China: Intercultural Formulations of Local Identities

    Science.gov (United States)

    Barrett, Catrice

    2012-01-01

    The linguistic dimensions of globalized hip-hop cannot be understood simply as a byproduct of English as an American export. As hip-hop mobilizes, it is common (and arguably necessary) for global hip-hop communities to struggle through purposeful, semiotically rooted dialectics over what constitutes "authentic" and respectable forms of…

  15. HYDROGEN VACANCY INTERACTION IN TUNGSTEN

    NARCIS (Netherlands)

    FRANSENS, [No Value; ELKERIEM, MSA; PLEITER, F

    1991-01-01

    Hydrogen-vacancy interaction in tungsten was investigated by means of the perturbed angular correlation technique, using the isotope In-111 as a probe. Hydrogen trapping at an In-111-vacancy cluster manifests itself as a change of the local electric field gradient, which gives rise to an observable

  16. Characterization of hop pectins shows the presence of an arabinogalactan-protein

    NARCIS (Netherlands)

    Oosterveld, A.; Voragen, A.G.J.; Schols, H.A.

    2002-01-01

    Hop pectins were extracted from spent hops using acid extraction conditions and were characterized chemically. The acid extraction of spent hops resulted in a yield of 2°containing 59 f polysaccharides. The hop pectins under investigation had a relatively high molecular weight and an intrinsic

  17. Hopping Conductivity Enhanced by Microwave Radiation

    International Nuclear Information System (INIS)

    Ovadyahu, Z

    2012-01-01

    Hopping conductivity is enhanced when exposed to microwave (MW) fields. Data taken on several Anderson-localized systems and granular-aluminium are presented to illustrate the generality of the phenomenon. It is suggested that the effect is due to a field-enhanced hopping, which is the ac version of a non-ohmic effect familiar from studies in the dc transport regime.

  18. Secure Connectivity Probability of Multi‐hop Clustered Randomize‐and‐Forward Networks

    Directory of Open Access Journals (Sweden)

    Xiaowei Wang

    2017-10-01

    Full Text Available This work investigates secure cluster‐aided multi‐hop randomize‐and‐forward networks. We present a hop‐by‐hop multi‐hop transmission scheme with relay selection, which evaluates for each cluster the relays that can securely receive the message. We propose an analytical model to derive the secure connectivity probability (SCP of the hop‐by‐hop transmission scheme. For comparison, we also analyze SCPs of traditional end‐to‐end transmission schemes with two relay‐selection policies. We perform simulations, and our analytical results verify that the proposed hop‐by‐hop scheme is superior to end‐to‐end schemes, especially with a large number of hops or high eavesdropper channel quality. Numerical results also show that the proposed hop‐by‐hop scheme achieves near‐optimal performance in terms of the SCP.

  19. Signaling induced by hop/STI-1 depends on endocytosis

    International Nuclear Information System (INIS)

    Americo, Tatiana A.; Chiarini, Luciana B.; Linden, Rafael

    2007-01-01

    The co-chaperone hop/STI-1 is a ligand of the cell surface prion protein (PrP C ), and their interaction leads to signaling and biological effects. Among these, hop/STI-1 induces proliferation of A172 glioblastoma cells, dependent on both PrP C and activation of the Erk pathway. We tested whether clathrin-mediated endocytosis affects signaling induced by hop/STI-1. Both hyperosmolarity induced by sucrose and monodansyl-cadaverine blocked Erk activity induced by hop/STI-1, without affecting the high basal Akt activity typical of A172. The endocytosis inhibitors also affected the sub-cellular distribution of phosphorylated Erk, consistent with blockade of the latter's activity. The data indicate that signaling induced by hop/STI-1 depends on endocytosis. These findings are consistent with a role of sub-cellular trafficking in signal transduction following engagement by PrP C by ligands such as hop/STI-1, and may help help unravel both the functions of the prion protein, as well as possible loss-of-function components of prion diseases

  20. A close correlation between induced ferromagnetism and oxygen deficiency in Fe doped In2O3

    International Nuclear Information System (INIS)

    Singhal, R.K.; Samariya, A.; Kumar, Sudhish; Sharma, S.C.; Xing, Y.T.; Deshpande, U.P.; Shripathi, T.; Saitovitch, E.

    2010-01-01

    We report on the reversible manipulation of room temperature ferromagnetism in Fe (5%) doped In 2 O 3 polycrystalline magnetic semiconductor. The X-ray diffraction and photoemission measurements confirm that the Fe ions are well incorporated into the lattice, substituting the In 3+ ions. The magnetization measurements show that the host In 2 O 3 has a diamagnetic ground state, while it shows weak ferromagnetism at 300 K upon Fe doping. The as-prepared sample was then sequentially annealed in hydrogen, air, vacuum and finally in air. The ferromagnetic signal shoots up by hydrogenation as well as vacuum annealing and bounces back upon re-annealing the samples in air. The sequence of ferromagnetism shows a close inter-relationship with the behavior of oxygen vacancies (V o ). The Fe ions tend to a transform from 3+ to 2+ state during the giant ferromagnetic induction, as revealed by photoemission spectroscopy. A careful characterization of the structure, purity, magnetic, and transport properties confirms that the ferromagnetism is due to neither impurities nor clusters but directly related to the oxygen vacancies. The ferromagnetism can be reversibly controlled by these vacancies while a parallel variation of carrier concentration, as revealed by resistance measurements, appears to be a side effect of the oxygen vacancy variation.

  1. Vacancy complexes induce long-range ferromagnetism in GaN

    KAUST Repository

    Zhang, Zhenkui

    2014-11-14

    By means of density functional theory, we argue that ferromagnetism in GaN can be induced by vacancy complexes. Spin polarization originates from the charge compensation between neutral N and Ga vacancies. Defect formation energy calculations predict that a vacancy complex of two positively charged N vacancies and one doubly negative Ga vacancy is likely to form. This defect complex induces a net moment of 1 μB, which is localized around the negative Ga center and exhibits pronounced in-plane ferromagnetic coupling. In contrast to simple Ga vacancy induced ferromagnetism, the proposed picture is in line with the fact that N vacancies have a low formation energy. Formation energies indicate mutual stabilization of the intrinsic defects in GaN.

  2. Vacancy complexes induce long-range ferromagnetism in GaN

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zhenkui; Schwingenschlögl, Udo, E-mail: Udo.Schwingenschlogl@kaust.edu.sa, E-mail: Iman.Roqan@kaust.edu.sa; Roqan, Iman S., E-mail: Udo.Schwingenschlogl@kaust.edu.sa, E-mail: Iman.Roqan@kaust.edu.sa [Physical Sciences and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia)

    2014-11-14

    By means of density functional theory, we argue that ferromagnetism in GaN can be induced by vacancy complexes. Spin polarization originates from the charge compensation between neutral N and Ga vacancies. Defect formation energy calculations predict that a vacancy complex of two positively charged N vacancies and one doubly negative Ga vacancy is likely to form. This defect complex induces a net moment of 1 μ{sub B}, which is localized around the negative Ga center and exhibits pronounced in-plane ferromagnetic coupling. In contrast to simple Ga vacancy induced ferromagnetism, the proposed picture is in line with the fact that N vacancies have a low formation energy. Formation energies indicate mutual stabilization of the intrinsic defects in GaN.

  3. Vacancy complexes induce long-range ferromagnetism in GaN

    KAUST Repository

    Zhang, Zhenkui; Schwingenschlö gl, Udo; Roqan, Iman S.

    2014-01-01

    By means of density functional theory, we argue that ferromagnetism in GaN can be induced by vacancy complexes. Spin polarization originates from the charge compensation between neutral N and Ga vacancies. Defect formation energy calculations predict that a vacancy complex of two positively charged N vacancies and one doubly negative Ga vacancy is likely to form. This defect complex induces a net moment of 1 μB, which is localized around the negative Ga center and exhibits pronounced in-plane ferromagnetic coupling. In contrast to simple Ga vacancy induced ferromagnetism, the proposed picture is in line with the fact that N vacancies have a low formation energy. Formation energies indicate mutual stabilization of the intrinsic defects in GaN.

  4. HPLC Analysis of [Alpha]- and [Beta]-Acids in Hops

    Science.gov (United States)

    Danenhower, Travis M.; Force, Leyna J.; Petersen, Kenneth J.; Betts, Thomas A.; Baker, Gary A.

    2008-01-01

    Hops have been used for centuries to impart aroma and bitterness to beer. The cones of the female hop plant contain both essential oils, which include many of the fragrant components of hops, and a collection of compounds known as [alpha]- and [beta]-acids that are the precursors to bittering agents. In order for brewers to predict the ultimate…

  5. Vacancy decay in endohedral atoms

    International Nuclear Information System (INIS)

    Amusia, M. Ya.; Baltenkov, A. S.

    2006-01-01

    It is demonstrated that the fullerene shell dramatically affects the radiative and Auger vacancy decay of an endohedral atom A-C 60 . The collectivized electrons of the C 60 shell add new possibilities for radiative and nonradiative decays similar to that in ordinary atoms where the vacancies in the initial and final state almost always belong to different subshells. It is shown that the smallness of the atomic shell radii as compared to that of the fullerene shell provides an opportunity to derive the simple formulas for the probabilities of the electron transitions. It is shown that the radiative and Auger (or Koster-Kronig) widths of the vacancy decay due to electron transition in the atom A in A-C 60 acquire an additional factor that can be expressed via the polarizability of the C 60 at transition energy. It is demonstrated that due to an opening of the nonradiative decay channel for vacancies in subvalent subshells the decay probability increases by five to six orders of magnitude

  6. Remarkable changes in interface O vacancy and metal-oxide bonds in amorphous indium-gallium-zinc-oxide thin-film transistors by long time annealing at 250 °C

    International Nuclear Information System (INIS)

    Chowdhury, Md Delwar Hossain; Um, Jae Gwang; Jang, Jin

    2014-01-01

    We have studied the effect of long time post-fabrication annealing on negative bias illumination stress (NBIS) of amorphous indium-gallium-zinc-oxide (a-IGZO) thin-film-transistors. Annealing for 100 h at 250 °C increased the field effect mobility from 14.7 cm 2 /V s to 17.9 cm 2 /V s and reduced the NBIS instability remarkably. Using X-ray photoelectron spectroscopy, the oxygen vacancy and OH were found to exist at the interfaces of a-IGZO with top and bottom SiO 2 . Long time annealing helps to decrease the vacancy concentration and increase the metal-oxygen bonds at the interfaces; this leads to increase in the free carrier concentrations in a-IGZO and field-effect mobility. X-ray reflectivity measurement indicated the increment of a-IGZO film density of 5.63 g cm −3 to 5.83 g cm −3 (3.4% increase) by 100 h annealing at 250 °C. The increase in film density reveals the decrease of O vacancy concentration and reduction of weak metal-oxygen bonds in a-IGZO, which substantially helps to improve the NBIS stability

  7. Role of vacancy defects in Al doped ZnO thin films for optoelectronic devices

    Science.gov (United States)

    Rotella, H.; Mazel, Y.; Brochen, S.; Valla, A.; Pautrat, A.; Licitra, C.; Rochat, N.; Sabbione, C.; Rodriguez, G.; Nolot, E.

    2017-12-01

    We report on the electrical, optical and photoluminescence properties of industry-ready Al doped ZnO thin films grown by physical vapor deposition, and their evolution after annealing under vacuum. Doping ZnO with Al atoms increases the carrier density but also favors the formation of Zn vacancies, thereby inducing a saturation of the conductivity mechanism at high aluminum content. The electrical and optical properties of these thin layered materials are both improved by annealing process which creates oxygen vacancies that releases charge carriers thus improving the conductivity. This study underlines the effect of the formation of extrinsic and intrinsic defects in Al doped ZnO compound during the fabrication process. The quality and the optoelectronic response of the produced films are increased (up to 1.52 mΩ \\cdotcm and 3.73 eV) and consistent with the industrial device requirements.

  8. Relationships between Xanthohumol and Polyphenol Content in Hop Leaves and Hop Cones with Regard to Water Supply and Cultivar

    Science.gov (United States)

    Čeh, Barbara; Kač, Milica; Košir, Iztok J.; Abram, Veronika

    2007-01-01

    The effect of water supply – especially of drought stress – on the content of some secondary metabolites in hops (Humulus lupulus L.) was studied. The experiment took place in 2006. Some relevant data from 2005 were included for comparison. Leaves and cones of nine hop cultivars grown under field conditions as well as in a pot experiment under three water regimes were analyzed. The cultivars ranged from those most grown in Slovenia to promising crossbreed being tested. Leaves were sampled from July 18, 2006 to August 18, 2006, while cones were picked in the time of technological maturity. Standard analytical methods were applied to determine the contents of xanthohumol, polyphenols and α-acids in hop leaves and hop cones. The contents of the secondary metabolites in question depended more on the cultivar under investigation than on the water supply, at least as far the growing conditions for a relatively normal development of the plant were met.

  9. Toward Hip-Hop Pedagogies for Music Education

    Science.gov (United States)

    Kruse, Adam J.

    2016-01-01

    Music education scholarship in the areas of popular, vernacular, and participatory musicianship has grown in the past decades; however, music education research concerned specifically with hip-hop has been relatively scarce. Because hip-hop music can differ tremendously from the traditional western genres with which many music educators are most…

  10. Framing and Reviewing Hip-Hop Educational Research

    Science.gov (United States)

    Petchauer, Emery

    2009-01-01

    Hip-hop has become relevant to the field of education because of its implications for understanding language, learning, identity, curriculum, and other areas. This integrative review provides historical context and cohesion for the burgeoning and discursive body of hip-hop scholarship by framing it according to three heuristic categories and…

  11. Hip-Hop Guayaquil: culturas viajeras e identidades locales

    Directory of Open Access Journals (Sweden)

    1999-01-01

    Full Text Available HIP-HOP GUAYAQUIL: CULTURES ITINÉRANTES ET IDENTITES LOCALES. Le hip-hop est un style de musique contemporaine caractérisé par une orchestration d’œuvres lyriques rapées, la superposition de morceaux de musique enregistrés dans le passé par différents artistes, et une instrumentation électronique, tout cela sur des rythmes de basse réguliers et constants. Le hip-hop, musique accompagnée de ses propres danses et de sa mode, est le produit du déplacement et de la transformation d’une variété d’idéologies politiques de la communauté noire qui se constituent à partir de relations qui se modifient entre elles, et en relation avec les cultures dominantes contre lesquelles elles luttent quotidiennement. À l’origine, le hip-hop est lié à des mouvements d’identité de jeunes noirs. Dans cet article, il est intéressant d’étudier le rôle du hip-hop dans la formulation d’une identité entre jeunes métisses et noirs des secteurs populaires de Guayaquil. Cet exemple illustre la nécessité d’inclure dans l’analyse les dimensions politiques des processus de traduction du global au niveau local. El hip-hop es un género de música contemporánea caracterizado por la orquestación de líricas que son rapeadas, superposición de fragmentos de música grabada en el pasado por diferentes artistas, e instrumentación electrónica, todo ello sobre ritmos de bajo regulares y constantes. Como un tipo de música acompañado por sus propias formas de danza y moda, el hip-hop es producto del viaje y la transformación de una variedad de ideologías políticas de la comunidad negra que se constituyen a sí mismas en relaciones cambiantes entre sí y en relación a las culturas dominantes contra las cuales luchan cotidianamente. El hip-hop está ligado, en su contexto originario, a políticas de identidad defendidas por jóvenes negros. Lo que interesa explorar en este artículo es el papel del hip-hop en la formulación de una identidad

  12. Low Power Multi-Hop Networking Analysis in Intelligent Environments.

    Science.gov (United States)

    Etxaniz, Josu; Aranguren, Gerardo

    2017-05-19

    Intelligent systems are driven by the latest technological advances in many different areas such as sensing, embedded systems, wireless communications or context recognition. This paper focuses on some of those areas. Concretely, the paper deals with wireless communications issues in embedded systems. More precisely, the paper combines the multi-hop networking with Bluetooth technology and a quality of service (QoS) metric, the latency. Bluetooth is a radio license-free worldwide communication standard that makes low power multi-hop wireless networking available. It establishes piconets (point-to-point and point-to-multipoint links) and scatternets (multi-hop networks). As a result, many Bluetooth nodes can be interconnected to set up ambient intelligent networks. Then, this paper presents the results of the investigation on multi-hop latency with park and sniff Bluetooth low power modes conducted over the hardware test bench previously implemented. In addition, the empirical models to estimate the latency of multi-hop communications over Bluetooth Asynchronous Connectionless Links (ACL) in park and sniff mode are given. The designers of devices and networks for intelligent systems will benefit from the estimation of the latency in Bluetooth multi-hop communications that the models provide.

  13. Vortex variable range hopping in a conventional superconducting film

    Science.gov (United States)

    Percher, Ilana M.; Volotsenko, Irina; Frydman, Aviad; Shklovskii, Boris I.; Goldman, Allen M.

    2017-12-01

    The behavior of a disordered amorphous thin film of superconducting indium oxide has been studied as a function of temperature and magnetic field applied perpendicular to its plane. A superconductor-insulator transition has been observed, though the isotherms do not cross at a single point. The curves of resistance versus temperature on the putative superconducting side of this transition, where the resistance decreases with decreasing temperature, obey two-dimensional Mott variable-range hopping of vortices over wide ranges of temperature and resistance. To estimate the parameters of hopping, the film is modeled as a granular system and the hopping of vortices is treated in a manner analogous to hopping of charges. The reason the long-range interaction between vortices over the range of magnetic fields investigated does not lead to a stronger variation of resistance with temperature than that of two-dimensional Mott variable-range hopping remains unresolved.

  14. Collective probabilities algorithm for surface hopping calculations

    International Nuclear Information System (INIS)

    Bastida, Adolfo; Cruz, Carlos; Zuniga, Jose; Requena, Alberto

    2003-01-01

    General equations that transition probabilities of the hopping algorithms in surface hopping calculations must obey to assure the equality between the average quantum and classical populations are derived. These equations are solved for two particular cases. In the first it is assumed that probabilities are the same for all trajectories and that the number of hops is kept to a minimum. These assumptions specify the collective probabilities (CP) algorithm, for which the transition probabilities depend on the average populations for all trajectories. In the second case, the probabilities for each trajectory are supposed to be completely independent of the results from the other trajectories. There is, then, a unique solution of the general equations assuring that the transition probabilities are equal to the quantum population of the target state, which is referred to as the independent probabilities (IP) algorithm. The fewest switches (FS) algorithm developed by Tully is accordingly understood as an approximate hopping algorithm which takes elements from the accurate CP and IP solutions. A numerical test of all these hopping algorithms is carried out for a one-dimensional two-state problem with two avoiding crossings which shows the accuracy and computational efficiency of the collective probabilities algorithm proposed, the limitations of the FS algorithm and the similarity between the results offered by the IP algorithm and those obtained with the Ehrenfest method

  15. Effect of vacancy loops on swelling of metals under irradiation

    International Nuclear Information System (INIS)

    Golubov, S.I.

    1981-01-01

    Subsequent analysis of vacancy loops formation in metals under irradiation is carried out and effect of vacancy loops on vacancy porosity is studied. Expression for quasistationary function of vacancy loops distribution according to sizes taking into consideration two mechanisms of their initiation-cascade and fluctuational ones - is obtained. It is shown that rate of vacancy absorption and interstitials by vacancy loops in quasiequilibrium state is similar and depends only on summary length of loops, for its calculations the self-coordinated procedure is formulated. For the rate of metal swelling under irradiation obtained is the expression taking into consideration the presence of vacancy loops [ru

  16. Hip-Hop(e): The Cultural Practice and Critical Pedagogy of International Hip-Hop. Adolescent Cultures, School, and Society. Volume 56

    Science.gov (United States)

    Porfilio, Brad J., Ed.; Viola, Michael J., Ed.

    2012-01-01

    Illuminating hip-hop as an important cultural practice and a global social movement, this collaborative project highlights the emancipatory messages and cultural work generated by the organic intellectuals of global hip-hop. Contributors describe the social realities--globalization, migration, poverty, criminalization, and racism--youth are…

  17. First-principles studies of various crystallographic phases and neutral atomic vacancies in KNbO3 and KTaO3

    International Nuclear Information System (INIS)

    Shigemi, A.; Koyama, T.; Wada, T.

    2006-01-01

    We evaluated enthalpies of formation and formation energies of neutral vacancies in KNbO 3 and KTaO 3 using a plane-wave pseudopotential method within a density functional formalism. The KNbO 3 (R3mR) phase with the lowest symmetry was found to have the lowest enthalpy of formation. On the other hand, the various virtual KTaO 3 phases (P4mm, Bmm2 and R3mR) with the lower symmetry were found to be approximately equal to the enthalpy of formation of a cubic KTaO 3 phase at 0 K. For both KNbO 3 and KTaO 3 , the formation energy of a K vacancy was found to be the lowest under an oxidizing atmosphere and that of an O vacancy was found to be the lowest under a reducing atmosphere. The formation energy of a Nb/Ta vacancy was the highest under both oxygen-rich and -poor conditions. These results are in good agreement with the empirical rule that B site defects in perovskite-type oxide do not exist. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  18. Mic Power? Connections and the hip hop nation in Kampala, Uganda

    DEFF Research Database (Denmark)

    Schneidermann, Nanna

    2014-01-01

    Hip hop culture has been celebrated in the media and scholarship as a universal youth language, part of a global hip hop nation, and a type of counter-public. This article examines the everyday meanings and practices of hip hop among hip hop activists in Kampala, Uganda, specifically within...... the Batuuze rap group. Rather than portraying hip hop as a counter-public of the disempowered, I argue that the Batuuze engagement is based on what I call moral economy that enables the negotiation of connections in social and cultural networks towards what is considered a good life. Here, the hip hop nation...... is less of an alternative public sphere and more a way of articulating and contextualizing the world in a specific locality, which produces connections and opportunities in the young rappers’ lives....

  19. Vacancy ordering and superstructure formation in dry and hydrated strontium tantalate perovskites: A TEM perspective

    DEFF Research Database (Denmark)

    Ashok, Anuradha M.; Haavik, Camilla; Norby, Poul

    2014-01-01

    Crystal structures of Sr4(Sr2Ta2)O11 and Sr4(Sr1.92Ta2.08)O11.12, synthesized by solid state reaction technique in dry and hydrated state have been studied mainly using Transmission Electron Microscopy. Due to the lesser ability of X-rays to probe details in oxygen sublattice, the change in crystal...... and corresponding unit cells of all the perovskites based on the ordering of oxygen vacancies is deduced. Crystal unit cells based on the observations are proposed with ideal atomic coordinates. Finally an attempt is made to explain the water uptake behaviour of these perovskites based on the proposed crystal...

  20. Dynamics of vacancies in two-dimensional Lennard-Jones crystals

    Science.gov (United States)

    Yao, Zhenwei; Olvera de La Cruz, Monica

    2015-03-01

    Vacancies represent an important class of crystallographic defects, and their behaviors can be strongly coupled with relevant material properties. We report the rich dynamics of vacancies in two-dimensional Lennard-Jones crystals in several thermodynamic states. Specifically, we numerically observe significantly faster diffusion of the 2-point vacancy with two missing particles in comparison with other types of vacancies; it opens the possibility of doping 2-point vacancies into atomic materials to enhance atomic migration. In addition, the resulting dislocations in the healing of a long vacancy suggest the intimate connection between vacancies and topological defects that may provide an extra dimension in the engineering of defects in extensive crystalline materials for desired properties. We thank the financial support from the U.S. Department of Commerce, National Institute of Standards and Technology, the Office of the Director of Defense Research and Engineering (DDR&E) and the Air Force Office of Scientific Research.

  1. The Hip-Hop club scene: Gender, grinding and sex.

    Science.gov (United States)

    Muñoz-Laboy, Miguel; Weinstein, Hannah; Parker, Richard

    2007-01-01

    Hip-Hop culture is a key social medium through which many young men and women from communities of colour in the USA construct their gender. In this study, we focused on the Hip-Hop club scene in New York City with the intention of unpacking narratives of gender dynamics from the perspective of young men and women, and how these relate to their sexual experiences. We conducted a three-year ethnographic study that included ethnographic observations of Hip-Hop clubs and their social scene, and in-depth interviews with young men and young women aged 15-21. This paper describes how young people negotiate gender relations on the dance floor of Hip-Hop clubs. The Hip-Hop club scene represents a context or setting where young men's masculinities are contested by the social environment, where women challenge hypermasculine privilege and where young people can set the stage for what happens next in their sexual and emotional interactions. Hip-Hop culture therefore provides a window into the gender and sexual scripts of many urban minority youth. A fuller understanding of these patterns can offer key insights into the social construction of sexual risk, as well as the possibilities for sexual health promotion, among young people in urban minority populations.

  2. Passivation of interstitial and vacancy mediated trap-states for efficient and stable triple-cation perovskite solar cells

    Science.gov (United States)

    Mahmud, Md Arafat; Elumalai, Naveen Kumar; Upama, Mushfika Baishakhi; Wang, Dian; Gonçales, Vinicius R.; Wright, Matthew; Xu, Cheng; Haque, Faiazul; Uddin, Ashraf

    2018-04-01

    The current work reports the concurrent passivation of interstitial and oxygen vacancy mediated defect states in low temperature processed ZnO electron transport layer (ETL) via Ultraviolet-Ozone (UVO) treatment for fabricating highly efficient (maximum efficiency: 16.70%), triple cation based MA0.57FA0.38Rb0.05PbI3 (MA: methyl ammonium, FA: formamidinium, Rb: rubidium) perovskite solar cell (PSC). Under UV exposure, ozone decomposes to free atomic oxygen and intercalates into the interstitial and oxygen vacancy induced defect sites in the ZnO lattice matrix, which contributes to suppressed trap-assisted recombination phenomena in perovskite device. UVO treatment also reduces the content of functional hydroxyl group on ZnO surface, that increases the inter-particle connectivity and grain size of perovskite film on UVO treated ZnO ETL. Owing to this, the perovskite film atop UVO treated ZnO film exhibits reduced micro-strain and dislocation density values, which contribute to the enhanced photovoltaic performance of PSC with modified ZnO ETL. The modified PSCs exhibit higher recombination resistance (RRec) ∼40% compared to pristine ZnO ETL based control devices. Adding to the merit, the UVO treated ZnO PSC also demonstrates superior device stability, retaining about 88% of its initial PCE in the course of a month-long, systematic degradation study.

  3. Oxygen measurements in thin ribbon silicon

    Energy Technology Data Exchange (ETDEWEB)

    Hyland, S L; Ast, D G; Baghdadi, A

    1987-03-01

    The oxygen content of thin silicon ribbons grown by the dendritic web technique was measured using a modification of the ASTM method based on Fourier transform infrared spectroscopy. Web silicon was found to have a high oxygen content, ranging from 13 to 19 ppma, calculated from the absorption peak associated with interstitial oxygen and using the new ASTM conversion coefficient. The oxygen concentration changed by about 10% along the growth direction of the ribbon. In some samples, a shoulder was detected on the absorption peak. A similar shoulder in Czochralski grown material has been variously interpreted in the literature as due to a complex of silicon, oxygen, and vacancies, or to a phase of SiO/sub 2/ developed along dislocations in the material. In the case of web silicon, it is not clear which is the correct interpretation.

  4. Hip hop jako kulturní styl, jeho spicifika a vliv na teenagery

    OpenAIRE

    POSPÍŠIL, Jan

    2008-01-01

    This thesis involves history of hip hop, its specifics and elements, it talks about influence of hip hip subculture on teenagers and points to positive and negative aspects connected to this culture style. In this way is work sectionalized into chapters. First part talks about history of hip hop, connection between religion and hip hop and also about Czech hip hop. Second part specifies on main elements of hip hop culture as DJing, MCing, breakdance, beatbox and graffiti. Last part focuses on...

  5. The content of vitamine E in hop cones of the Saaz variety

    Directory of Open Access Journals (Sweden)

    Helena Pluháčková

    2013-01-01

    Full Text Available The activity of vitamin E, total content of tocols and the content of individual isomers: α-tocopherols, β-tocopherols, γ-tocopherols and δ-tocopherols was monitored in samples of hop cones of the world-important Saaz variety. Hop cone samples originated from hop-breeding area Tršice, Czech Republic. The method used for the determination of vitamin E in barley was modified and used for this quantitative analysis. The results indicate that monitored characteristics are influenced by the year of harvest (2010 or 2011 but also by the age of hop-gardens (hop bucks. High values of vitamin E activity (up to 67.79 mg.kg−1 and total content of tocols (up to 76.31 mg.kg−1 in hop cones are worth further attention from the viewpoint of alternative use of hops.

  6. Vacancy clusters at nanoparticle surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Xu, J.; Moxom, J.; Somieski, B.; White, C.W. [Oak Ridge National Lab., TN (United States); Mills, A.P. Jr. [Bell Labs., Lucent Technologies, Murray Hill, NJ (United States); Suzuki, R.; Ishibashi, S. [Electrotechnical Lab., Tsukuba, Ibaraki (Japan); Ueda, A.; Henderson, D. [Physics Dept., Fisk Univ., Nashville, TN (United States)

    2001-07-01

    We detect vacancy clusters at Au nanoparticle surfaces using a combination of positron lifetime spectroscopy, 1- detector, and 2-detector measurements of Doppler broadening of annihilation radiation. Gold nanoparticles are formed by MeV implantation of gold ions into MgO (100) followed by annealing. Clusters of two Mg and two O vacancies (v{sub 4}) are attached to the gold nanoparticle surfaces within the projected range (R{sub p}). (orig.)

  7. Vacancy clusters at nanoparticle surfaces

    International Nuclear Information System (INIS)

    Xu, J.; Moxom, J.; Somieski, B.; White, C.W.; Mills, A.P. Jr.; Suzuki, R.; Ishibashi, S.; Ueda, A.; Henderson, D.

    2001-01-01

    We detect vacancy clusters at Au nanoparticle surfaces using a combination of positron lifetime spectroscopy, 1- detector, and 2-detector measurements of Doppler broadening of annihilation radiation. Gold nanoparticles are formed by MeV implantation of gold ions into MgO (100) followed by annealing. Clusters of two Mg and two O vacancies (v 4 ) are attached to the gold nanoparticle surfaces within the projected range (R p ). (orig.)

  8. Romani Music - Roma and the Hip-hop Culture

    OpenAIRE

    Dočkal, Tomáš

    2007-01-01

    This thesis is focused on Romani music and its importance for the Romani culture. It examines the popularity of hip-hop among the young Romani generation and Romani hip- hip production. It attempts to define the role of hip-hop culture in young Romanies' lives.

  9. Being Hip-Hop: Beyond Skills and Songs

    Science.gov (United States)

    Kruse, Adam J.

    2016-01-01

    In this article, I offer four principles relevant to hip-hop cultures (keep it real, flip the script, make some noise, and stay fresh) and explore how these principles might affect music classrooms. I argue that a music classroom that works to keep it real, flip the script, make some noise, and stay fresh might go beyond teaching hip-hop skills…

  10. Defining and Measuring Job Vacancies in a Dynamic Perspective

    NARCIS (Netherlands)

    P.A. Donker van Heel (Peter)

    2015-01-01

    textabstractWhat is the best definition for job vacancies, what is the best method to measure job vacancies, and what further research is needed to gain a better insight into job vacancies in a dynamic perspective?

  11. Injury incidence in hip hop dance.

    Science.gov (United States)

    Ojofeitimi, S; Bronner, S; Woo, H

    2012-06-01

    Hip hop dance has rapidly become a popular international art form. There is limited information on injury patterns in this population. The purpose of this study was to determine injury incidence and patterns among three groups of hip hop dancers. Three hundred and twelve intermediate, advanced, and expert hip hop dancers were recruited at battles, dance conferences, clubs, and on dance related web sites within the United States and internationally. A Web-based survey was conducted over a 6-month period. Inclusion criteria included intermediate and advanced level dancers over the age of 13. Dancers were divided into three main categories: Breakers, Popper/Lockers, and New Schoolers. Separate analysis of variances were used to compare injury pattern differences between groups. Two hundred and thirty-two dancers reported a total of 738 injuries. Five hundred and six of these (sustained by 205 dancers) were time-loss (TL) injuries. Annual injury incidence was 237% (162% involving TL). Lower extremity injuries were 52% and upper extremity injuries 32% of total injuries. Breakers had a higher injury incidence compared with Popper/Lockers, and New Schoolers. Hip hop dancers report injury rates that are higher than other dance forms but similar to gymnastics. These dancers should be educated concerning injury prevention, biomechanics, and use of protective equipment. © 2010 John Wiley & Sons A/S.

  12. Remarkable changes in interface O vacancy and metal-oxide bonds in amorphous indium-gallium-zinc-oxide thin-film transistors by long time annealing at 250 °C

    Energy Technology Data Exchange (ETDEWEB)

    Chowdhury, Md Delwar Hossain; Um, Jae Gwang; Jang, Jin, E-mail: jjang@khu.ac.kr [Advanced Display Research Center and Department of Information Display, Kyung Hee University, Seoul 130-701 (Korea, Republic of)

    2014-12-08

    We have studied the effect of long time post-fabrication annealing on negative bias illumination stress (NBIS) of amorphous indium-gallium-zinc-oxide (a-IGZO) thin-film-transistors. Annealing for 100 h at 250 °C increased the field effect mobility from 14.7 cm{sup 2}/V s to 17.9 cm{sup 2}/V s and reduced the NBIS instability remarkably. Using X-ray photoelectron spectroscopy, the oxygen vacancy and OH were found to exist at the interfaces of a-IGZO with top and bottom SiO{sub 2}. Long time annealing helps to decrease the vacancy concentration and increase the metal-oxygen bonds at the interfaces; this leads to increase in the free carrier concentrations in a-IGZO and field-effect mobility. X-ray reflectivity measurement indicated the increment of a-IGZO film density of 5.63 g cm{sup −3} to 5.83 g cm{sup −3} (3.4% increase) by 100 h annealing at 250 °C. The increase in film density reveals the decrease of O vacancy concentration and reduction of weak metal-oxygen bonds in a-IGZO, which substantially helps to improve the NBIS stability.

  13. Basin Hopping Graph

    DEFF Research Database (Denmark)

    Kucharik, Marcel; Hofacker, Ivo; Stadler, Peter

    2014-01-01

    of the folding free energy landscape, however, can provide the relevant information. Results We introduce the basin hopping graph (BHG) as a novel coarse-grained model of folding landscapes. Each vertex of the BHG is a local minimum, which represents the corresponding basin in the landscape. Its edges connect...

  14. Impurities of oxygen in silicon

    International Nuclear Information System (INIS)

    Gomes, V.M.S.

    1985-01-01

    The electronic structure of oxygen complex defects in silicon, using molecular cluster model with saturation by watson sphere into the formalism of Xα multiple scattering method is studied. A systematic study of the simulation of perfect silicon crystal and an analysis of the increasing of atom number in the clusters are done to choose the suitable cluster for the calculations. The divacancy in three charge states (Si:V 2 + , Si:V 2 0 , Si:V 2 - ), of the oxygen pair (Si:O 2 ) and the oxygen-vacancy pair (Si:O.V) neighbours in the silicon lattice, is studied. Distortions for the symmetry were included in the Si:V 2 + and Si:O 2 systems. The behavior of defect levels related to the cluster size of Si:V 2 0 and Si:O 2 systems, the insulated oxygen impurity of silicon in interstitial position (Si:O i ), and the complexes involving four oxygen atoms are analysed. (M.C.K.) [pt

  15. Oxygen tracer studies of ferroelectric fatigue in Pb(Zr,Ti)O3 thin films

    International Nuclear Information System (INIS)

    Schloss, Lawrence F.; McIntyre, Paul C.; Hendrix, Bryan C.; Bilodeau, Steven M.; Roeder, Jeffrey F.; Gilbert, Stephen R.

    2002-01-01

    Long-range oxygen motion has been observed in Pt/Pb(Zr,Ti)O 3 /Ir thin-film structures after electrical fatigue cycling at room temperature. Through an exchange anneal, isotopic 18 O was incorporated as a tracer into bare Pb(Zr,Ti)O 3 (PZT) films, allowing secondary ion mass spectrometry measurements of the tracer profile evolution as a function of the number of polarization reversals. Observation of 18 O tracer redistribution during voltage cycling, which is presumably mediated by oxygen vacancy motion, was found to be strongly dependent upon the thermal history of the film. However, there was no strong correlation between the extent of 18 O tracer redistribution and the extent of polarization suppression induced by voltage cycling. Our results suggest that oxygen vacancy motion plays, at most, a secondary role in ferroelectric fatigue of PZT thin films

  16. Blind Compressed Sensing Parameter Estimation of Non-cooperative Frequency Hopping Signal

    Directory of Open Access Journals (Sweden)

    Chen Ying

    2016-10-01

    Full Text Available To overcome the disadvantages of a non-cooperative frequency hopping communication system, such as a high sampling rate and inadequate prior information, parameter estimation based on Blind Compressed Sensing (BCS is proposed. The signal is precisely reconstructed by the alternating iteration of sparse coding and basis updating, and the hopping frequencies are directly estimated based on the results. Compared with conventional compressive sensing, blind compressed sensing does not require prior information of the frequency hopping signals; hence, it offers an effective solution to the inadequate prior information problem. In the proposed method, the signal is first modeled and then reconstructed by Orthonormal Block Diagonal Blind Compressed Sensing (OBD-BCS, and the hopping frequencies and hop period are finally estimated. The simulation results suggest that the proposed method can reconstruct and estimate the parameters of noncooperative frequency hopping signals with a low signal-to-noise ratio.

  17. Vacancy supersaturations produced by high-energy ion implantation

    International Nuclear Information System (INIS)

    Venezia, V.C.; Eaglesham, D.J.; Jacobson, D.C.; Gossmann, H.J.

    1998-01-01

    A new technique for detecting the vacancy clusters produced by high-energy ion implantation into silicon is proposed and tested. This technique takes advantage of the fact that metal impurities, such as Au, are gettered near one-half of the projected range (1/2 R p ) of MeV implants. The vacancy clustered region produced by a 2 MeV Si + implant into silicon has been labeled with Au diffused in from the front surface. The trapped Au was detected by Rutherford backscattering spectrometry (RBS) to profile the vacancy clusters. Cross section transmission electron microscopy (XTEM) analysis shows that the Au in the region of vacancy clusters is in the form of precipitates. By annealing MeV implanted samples prior to introduction of the Au, changes in the defect concentration within the vacancy clustered region were monitored as a function of annealing conditions

  18. Hip Hop Culture's OGs: A Narrative Inquiry into the Intersection of Hip Hop Culture, Black Males and Their Schooling Experiences

    Science.gov (United States)

    Buchanan, Ian P.

    2013-01-01

    Using a critical race lens, this narrative study employs a focus group design to explore the intersections between black males, hip hop culture and schooling experiences. To provide a sociocultural grounding, this study first reviews the research literature around hip hop culture.s sociocultural development and its impact as a culture force that…

  19. Adjacent Fe-Vacancy Interactions as the Origin of Room Temperature Ferromagnetism in (In1 -xFex )2O3

    Science.gov (United States)

    Green, R. J.; Regier, T. Z.; Leedahl, B.; McLeod, J. A.; Xu, X. H.; Chang, G. S.; Kurmaev, E. Z.; Moewes, A.

    2015-10-01

    Dilute magnetic semiconductors (DMSs) show great promise for applications in spin-based electronics, but in most cases continue to elude explanations of their magnetic behavior. Here, we combine quantitative x-ray spectroscopy and Anderson impurity model calculations to study ferromagnetic Fe-substituted In2 O3 films, and we identify a subset of Fe atoms adjacent to oxygen vacancies in the crystal lattice which are responsible for the observed room temperature ferromagnetism. Using resonant inelastic x-ray scattering, we map out the near gap electronic structure and provide further support for this conclusion. Serving as a concrete verification of recent theoretical results and indirect experimental evidence, these results solidify the role of impurity-vacancy coupling in oxide-based DMSs.

  20. Ordered perovskites with cationic vacancies. 7. Structural investigations on Ba/sub 2/Zrsub(3/4)vacantsub(1/4)SbO/sub 6/

    Energy Technology Data Exchange (ETDEWEB)

    Treiber, U; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

    1980-11-01

    The ochre coloured Ba/sub 2/Zrsub(3/4)vacantsub(1/4)SbO/sub 6/ belongs to the group of oxygen perovskites with an ordered distribution of the vacancies. It crystallizes tetragonal (a = 11.68/sub 5/ A; c = 16.60/sub 6/ A) with 16 formula units in the cell: Ba/sub 32/Zr/sub 12/vacant/sub 4/Sb/sub 16/O/sub 96/. For the space group P 4/mmm intensity calculations on powder data gave a refined, intensity related R' value of 4.8%. In the structure the Zr and Ba atoms are ordered (1:1 order); the four cationic vacancies are located in a face centered arrangement in the zirconium sublattice. The Ba atoms are displaced by approximately 0.20 A in direction of the neighbouring vacancy, while the other cations maintain their ideal positions.

  1. Energy management that generates terrain following versus apex-preserving hopping in man and machine.

    Science.gov (United States)

    Kalveram, Karl Theodor; Haeufle, Daniel F B; Seyfarth, André; Grimmer, Sten

    2012-01-01

    While hopping, 12 subjects experienced a sudden step down of 5 or 10 cm. Results revealed that the hopping style was "terrain following". It means that the subjects pursued to keep the distance between maximum hopping height (apex) and ground profile constant. The spring-loaded inverse pendulum (SLIP) model, however, which is currently considered as template for stable legged locomotion would predict apex-preserving hopping, by which the absolute maximal hopping height is kept constant regardless of changes of the ground level. To get more insight into the physics of hopping, we outlined two concepts of energy management: "constant energy supply", by which in each bounce--regardless of perturbations--the same amount of mechanical energy is injected, and "lost energy supply", by which the mechanical energy that is going to be dissipated in the current cycle is assessed and replenished. When tested by simulations and on a robot testbed capable of hopping, constant energy supply generated stable and robust terrain following hopping, whereas lost energy supply led to something like apex-preserving hopping, which, however, lacks stability as well as robustness. Comparing simulated and machine hopping with human hopping suggests that constant energy supply has a good chance to be used by humans to generate hopping.

  2. 24 CFR 983.352 - Vacancy payment.

    Science.gov (United States)

    2010-04-01

    ... PROJECT-BASED VOUCHER (PBV) PROGRAM Payment to Owner § 983.352 Vacancy payment. (a) Payment for move-out month. If an assisted family moves out of the unit, the owner may keep the housing assistance payment... 24 Housing and Urban Development 4 2010-04-01 2010-04-01 false Vacancy payment. 983.352 Section...

  3. Flipping the Misogynist Script: Gender, Agency, Hip Hop and Music Education

    Science.gov (United States)

    Tobias, Evan S.

    2014-01-01

    Excluding Hip Hop culture and rap music from music education misses opportunities for addressing key aspects of popular culture, society, and students' lives. This article addresses intersections of Hip Hop, gender, and music education to forward potential Hip Hop praxis. After tracing related scholarship, I discuss and problematize…

  4. Vacancy dynamic in Ni-Mn-Ga ferromagnetic shape memory alloys

    Energy Technology Data Exchange (ETDEWEB)

    Merida, D., E-mail: david.merida@ehu.es [Fisika Aplikatua II Saila, Euskal Herriko Unibertsitatea UPV/EHU, p.k. 644, 48080 Bilbao (Spain); Elektrizitate eta Elektronika Saila, Euskal Herriko Unibertsitatea UPV/EHU, p.k. 644, 48080 Bilbao (Spain); García, J. A. [Fisika Aplikatua II Saila, Euskal Herriko Unibertsitatea UPV/EHU, p.k. 644, 48080 Bilbao (Spain); BC Materials (Basque Centre for Materials, Application and Nanostructures), 48040 Leioa (Spain); Sánchez-Alarcos, V.; Pérez-Landazábal, J. I.; Recarte, V. [Departamento de Física, Universidad Pública de Navarra, Campus de Arrosadia, 31006 Pamplona (Spain); Plazaola, F. [Elektrizitate eta Elektronika Saila, Euskal Herriko Unibertsitatea UPV/EHU, p.k. 644, 48080 Bilbao (Spain)

    2014-06-09

    Vacancies control any atomic ordering process and consequently most of the order-dependent properties of the martensitic transformation in ferromagnetic shape memory alloys. Positron annihilation spectroscopy demonstrates to be a powerful technique to study vacancies in NiMnGa alloys quenched from different temperatures and subjected to post-quench isothermal annealing treatments. Considering an effective vacancy type the temperature dependence of the vacancy concentration has been evaluated. Samples quenched from 1173 K show a vacancy concentration of 1100 ± 200 ppm. The vacancy migration and formation energies have been estimated to be 0.55 ± 0.05 eV and 0.90 ± 0.07 eV, respectively.

  5. Hip Hop Dance Experience Linked to Sociocognitive Ability.

    Science.gov (United States)

    Bonny, Justin W; Lindberg, Jenna C; Pacampara, Marc C

    2017-01-01

    Expertise within gaming (e.g., chess, video games) and kinesthetic (e.g., sports, classical dance) activities has been found to be linked with specific cognitive skills. Some of these skills, working memory, mental rotation, problem solving, are linked to higher performance in science, technology, math, and engineering (STEM) disciplines. In the present study, we examined whether experience in a different activity, hip hop dance, is also linked to cognitive abilities connected with STEM skills as well as social cognition ability. Dancers who varied in hip hop and other dance style experience were presented with a set of computerized tasks that assessed working memory capacity, mental rotation speed, problem solving efficiency, and theory of mind. We found that, when controlling for demographic factors and other dance style experience, those with greater hip hop dance experience were faster at mentally rotating images of hands at greater angle disparities and there was a trend for greater accuracy at identifying positive emotions displayed by cropped images of human faces. We suggest that hip hop dance, similar to other more technical activities such as video gameplay, tap some specific cognitive abilities that underlie STEM skills. Furthermore, we suggest that hip hop dance experience can be used to reach populations who may not otherwise be interested in other kinesthetic or gaming activities and potentially enhance select sociocognitive skills.

  6. Particle trapping and hopping in an optofluidic fishnet

    Science.gov (United States)

    Shi, Y. Z.; Xiong, S.; Zhang, Y.; Chin, L. K.; Wu, J. H.; Chen, T. N.; Liu, A. Q.

    2017-08-01

    Particle jumping between optical potentials has attracted much attention owing to its extensive involvement in many physical and biological experiments. In some circumstances, particle jumping indicates escaping from the optical trap, which is an issue people are trying to avoid. Nevertheless, particle jumping can facilitate the individual trap in each laser spot in the optical lattice and enable sorting and delivery of nanoparticles. Particle hopping has not been seen in fluid because Fluidic drag force dramatically reduce the dwell time of particle or break the potential well. Here, we observe particle hopping in the microchannel by three reasons, e.g., particle collision or aggregation, light disturbing by pretrapped particle and fake trapping position. We show that commonly ignored particle influence to the light could create a new isolated trapping position, where particle hops to the adjacent potential well. The hopping happens in an optofluidic fishnet which is comprised of discrete hotspots enabling 2D patterning of particles in the flow stream for the first time. We also achieve a 2D patterning of cryptosporidium in the microchannel. Our observed particle hopping in the flow stream completes the family of particle kinetics in potential wells and inspires new interests in the particle disturbed optical trapping. The 2D patterning of particles benefits the parallel study of biological samples in the flow stream and have potential on cell sorting and drug delivery.

  7. Hip Hop Dance Experience Linked to Sociocognitive Ability.

    Directory of Open Access Journals (Sweden)

    Justin W Bonny

    Full Text Available Expertise within gaming (e.g., chess, video games and kinesthetic (e.g., sports, classical dance activities has been found to be linked with specific cognitive skills. Some of these skills, working memory, mental rotation, problem solving, are linked to higher performance in science, technology, math, and engineering (STEM disciplines. In the present study, we examined whether experience in a different activity, hip hop dance, is also linked to cognitive abilities connected with STEM skills as well as social cognition ability. Dancers who varied in hip hop and other dance style experience were presented with a set of computerized tasks that assessed working memory capacity, mental rotation speed, problem solving efficiency, and theory of mind. We found that, when controlling for demographic factors and other dance style experience, those with greater hip hop dance experience were faster at mentally rotating images of hands at greater angle disparities and there was a trend for greater accuracy at identifying positive emotions displayed by cropped images of human faces. We suggest that hip hop dance, similar to other more technical activities such as video gameplay, tap some specific cognitive abilities that underlie STEM skills. Furthermore, we suggest that hip hop dance experience can be used to reach populations who may not otherwise be interested in other kinesthetic or gaming activities and potentially enhance select sociocognitive skills.

  8. Droppin’ Knowledge on Race: Hip-Hop, White Adolescents, and Anti-Racism Education

    Directory of Open Access Journals (Sweden)

    Steven Netcoh

    2013-10-01

    Full Text Available In this essay, the author examines how Hip-Hop can be mobilized in anti-racism educational initatives.  The author claims that existing research on Hip-Hop and white adolescents suggests a negative corrleation between white youths' engagement with Hip-Hop and their understanding of how race and racism function in American society.  In response to this research, the author argues Hip-Hop's diverse racial discourses and ideologies must be made the subject of direct and critical inquiry in secondary and post-secondary classrooms to maximize its democratic potential.  The author outlines specific approaches for how teachers can employ Hip-Hop in anti-racism curricula in secondary and post-secondary classrooms.  Collectively, the essay serves as a preliminary investigation of Hip-Hop pedagogies of race and whiteness.

  9. Hip external rotation strength predicts hop performance after anterior cruciate ligament reconstruction.

    Science.gov (United States)

    Kline, Paul W; Burnham, Jeremy; Yonz, Michael; Johnson, Darren; Ireland, Mary Lloyd; Noehren, Brian

    2018-04-01

    Quadriceps strength and single-leg hop performance are commonly evaluated prior to return to sport after anterior cruciate ligament reconstruction (ACLR). However, few studies have documented potential hip strength deficits after ACLR, or ascertained the relative contribution of quadriceps and hip strength to hop performance. Patients cleared for return to sports drills after ACLR were compared to a control group. Participants' peak isometric knee extension, hip abduction, hip extension, and hip external rotation (HER) strength were measured. Participants also performed single-leg hops, timed hops, triple hops, and crossover hops. Between-limb comparisons for the ACLR to control limb and the non-operative limb were made using independent two-sample and paired sample t tests. Pearson's correlations and stepwise multiple linear regression were used to determine the relationships and predictive ability of limb strength, graft type, sex, and limb dominance to hop performance. Sixty-five subjects, 20 ACLR [11F, age 22.8 (15-45) years, 8.3 ± 2 months post-op, mass 70.47 ± 12.95 kg, height 1.71 ± 0.08 m, Tegner 5.5 (3-9)] and 45 controls [22F, age 25.8 (15-45) years, mass 74.0 ± 15.2 kg, height 1.74 ± 0.1 m, Tegner 6 (3-7)], were tested. Knee extension (4.4 ± 1.5 vs 5.4 ± 1.8 N/kg, p = 0.02), HER (1.4 ± 0.4 vs 1.7 ± 0.5 N/kg, p = 0.04), single-leg hop (146 ± 37 vs 182 ± 38% limb length, p hop (417 ± 106 vs 519 ± 102% limb length, p hop (3.3 ± 2.0 vs 2.3 ± 0.6 s, p hop (364 ± 107 vs 446 ± 123% limb length, p = 0.01) were significantly impaired in the operative versus control subject limbs. Similar deficits existed between the operative and non-operative limbs. Knee extension and HER strength were significantly correlated with each of the hop tests, but only HER significantly predicted hop performance. After ACLR, patients have persistent HER strength, knee extension strength, and hop test deficits in the

  10. Rethinking Pedagogy in Urban Spaces: Implementing Hip-Hop Pedagogy in the Urban Science Classroom

    Science.gov (United States)

    Adjapong, Edmund S.; Emdin, Christopher

    2015-01-01

    A significant amount of research regarding Hip-Hop Based Education (HHBE) fails to provide insight on how to incorporate elements of Hip-Hop into daily teaching practices; rather Hip-Hop based educators focus mainly on incorporating Hip-Hop culture into curricula. This study explores the benefits of using two specific Hip-Hop pedagogical practices…

  11. Contribution to the study of vacancies in silver and uranium (1962); Contribution a l'etude des lacunes dans l'argent et l'uranium (1962)

    Energy Technology Data Exchange (ETDEWEB)

    Quere, Y [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1961-12-15

    In metals, high temperature vacancies can be retained by quenching. Results are given for the quenching of uranium (in liquid helium) and of silver (in liquid nitrogen). In this last case the energy of formation (1.06 eV) and the energy of mobility (0.86 eV) of the vacancies have been measured as well as the energy of mobility of the divacancies (0.58 eV). If the quenching is slow, it is shown that it is possible to trap the vacancies on the impurities of the metal. This leads to increases in the electrical resistivity observed by annealing after quenching, the vacancies being released before disappearing into sinks. The vacancy-impurity binding energy (the impurity being probably oxygen which is present in the silver used at a concentration of 20 ppm. atom.) can thus be estimated to be 0.4 eV. (author) [French] Dans un metal, les lacunes de haute temperature peuvent etre retenues par trempe. On presente des experiences de trempe d'uranium (dans l'helium liquide) et d'argent (dans l'azote liquide). Dans ce dernier cas, on mesure l'energie de formation (1,06 eV) et l'energie de mobilite (0,86 eV) des lacunes ainsi que l'energie de mobilite des bilacunes (0,58 eV). Si la trempe est lente, on montre que l'on peut pieger des lacunes sur les impuretes du metal. On interprete de cette facon des augmentations de resistivite electrique observees par recuit apres trempe, les lacunes se depiegeant avant de disparaitre dans des puits. L'energie de liaison lacune-impurete (l'impurete etant probablement l'oxygene dont l'argent utilise contient 20 ppm. atom.) peut alors etre evalue 0,4 eV. (auteur)

  12. Respiratory disease associated with occupational inhalation to hop (Humulus lupulus) during harvest and processing.

    Science.gov (United States)

    Reeb-Whitaker, Carolyn K; Bonauto, David K

    2014-11-01

    There is little published evidence for occupational respiratory disease caused by hop dust inhalation. In the United States, hops are commercially produced in the Pacific Northwest region. To describe occupational respiratory disease in hop workers. Washington State workers' compensation claims filed by hop workers for respiratory disease were systematically identified and reviewed. Incidence rates of respiratory disease in hop workers were compared with rates in field vegetable crop farm workers. Fifty-seven cases of respiratory disease associated with hop dust inhalation were reported from 1995 to 2011. Most cases (61%) were diagnosed by the attending health care practitioner as having work-related asthma. Seven percent of cases were diagnosed as chronic obstructive pulmonary disease, and the remaining cases were diagnosed as allergic respiratory disorders (eg, allergic rhinitis) or asthma-associated symptoms (eg, dyspnea). Cases were associated with hop harvesting, secondary hop processing, and indirect exposure. The incidence rate of respiratory disease in hop workers was 15 cases per 10,000 full-time workers, which was 30 times greater than the incidence rate for field vegetable crop workers. A strong temporal association between hop dust exposure and respiratory symptoms and a clear association between an increase in hop dust concentrations and the clinical onset of symptoms were apparent in 3 cases. Occupational exposure to hop dust is associated with respiratory disease. Respiratory disease rates were higher in hop workers than in a comparison group of agricultural workers. Additional research is needed before hop dust can be confirmed as a causative agent for occupational asthma. Copyright © 2014 American College of Allergy, Asthma & Immunology. Published by Elsevier Inc. All rights reserved.

  13. Vacancies and defect levels in III–V semiconductors

    KAUST Repository

    Tahini, H. A.

    2013-08-13

    Using electronic structure calculations, we systematically investigate the formation of vacancies in III-V semiconductors (III = Al, Ga, and In and V = P, As, and Sb), for a range of charges ( −3≤q≤3 ) as a function of the Fermi level and under different growth conditions. The formation energies were corrected using the scheme due to Freysoldt et al. [Phys. Rev. Lett. 102, 016402 (2009)] to account for finite size effects. Vacancy formation energies were found to decrease as the size of the group V atom increased. This trend was maintained for Al-V, Ga-V, and In-V compounds. The negative-U effect was only observed for the arsenic vacancy in GaAs, which makes a charge state transition from +1 to –1. It is also found that even under group III rich conditions, group III vacancies dominate in AlSb and GaSb. For InSb, group V vacancies are favoured even under group V rich conditions.

  14. Vacancies and defect levels in III–V semiconductors

    KAUST Repository

    Tahini, H. A.; Chroneos, Alexander; Grimes, R. W.; Murphy, S. T.; Schwingenschlö gl, Udo

    2013-01-01

    Using electronic structure calculations, we systematically investigate the formation of vacancies in III-V semiconductors (III = Al, Ga, and In and V = P, As, and Sb), for a range of charges ( −3≤q≤3 ) as a function of the Fermi level and under different growth conditions. The formation energies were corrected using the scheme due to Freysoldt et al. [Phys. Rev. Lett. 102, 016402 (2009)] to account for finite size effects. Vacancy formation energies were found to decrease as the size of the group V atom increased. This trend was maintained for Al-V, Ga-V, and In-V compounds. The negative-U effect was only observed for the arsenic vacancy in GaAs, which makes a charge state transition from +1 to –1. It is also found that even under group III rich conditions, group III vacancies dominate in AlSb and GaSb. For InSb, group V vacancies are favoured even under group V rich conditions.

  15. Let Me Blow Your Mind: Hip Hop Feminist Futures in Theory and Praxis

    Science.gov (United States)

    Lindsey, Treva B.

    2015-01-01

    This essay brings together key theoretical interventions in hip-hop feminism to explore the continued, but undervalued, significance of hip-hop feminism in urban education. More specifically, the essay challenges narrow conceptualizations of the "hip hop subject" as Black and male by using hip-hop feminist theory to incorporate the lived…

  16. Ordered array of CoPc-vacancies filled with single-molecule rotors

    Science.gov (United States)

    Xie, Zheng-Bo; Wang, Ya-Li; Tao, Min-Long; Sun, Kai; Tu, Yu-Bing; Yuan, Hong-Kuan; Wang, Jun-Zhong

    2018-05-01

    We report the highly ordered array of CoPc-vacancies and the single-molecule rotors inside the vacancies. When CoPc molecules are deposited on Cd(0001) at low-temperature, three types of molecular vacancies appeared randomly in the CoPc monolayer. Annealing the sample to higher temperature leads to the spontaneous phase separation and self-organized arrangement of the vacancies. Highly ordered arrays of two-molecule vacancies and single-molecule vacancies have been obtained. In particular, there is a rotating CoPc molecule inside each single-molecule vacancy, which constitutes the array of single-molecule rotors. These results provide a new routine to fabricate the nano-machines on a large scale.

  17. Hopping conductivity via deep impurity states in InP

    International Nuclear Information System (INIS)

    Kuznetsov, V.P.; Messerer, M.A.; Omel'yanovskij, Eh.M.

    1984-01-01

    Hopping (epsilon 3 ) and Mott conductivities via deep impurity compounds with localization radius below 10 A have been studied using as an example Mn in InP. It is shown, that the existing theory of hopping conductivity in low-alloyed semiconductors with Na 3 << 1 can be Used for the case of deep centres as successfully as for the case of insignificant hydrogen-like impurities. Fundamental parameters of the theory: localization radius of wave function of deep impurities, state density near the Fermi level, mean hop length, are determined

  18. Stress dependence of oxygen diffusion in ZrO2 film

    International Nuclear Information System (INIS)

    Yamamoto, Yasunori; Morishita, Kazunori; Iwakiri, Hirotomo; Kaneta, Yasunori

    2013-01-01

    First principles calculations were performed to evaluate the effect of stress on the diffusion process of oxygen atoms in monoclinic and tetragonal ZrO 2 . The formation and migration energies of an oxygen vacancy were obtained as a function of applied stress. Our results show that the formation and migration energies increase when the compressive stress is applied, which causes a reduction in the diffusion coefficient of an oxygen atom in ZrO 2 . This may explain the experimental observation that the oxide film grows in proportion to the cubic root of time

  19. Framing Hip Hop: New Methodologies for New Times

    Science.gov (United States)

    Dimitriadis, Greg

    2015-01-01

    This article revisits the central impulse behind early advocacy for ethnographic approaches to hip hop--that critics should try as much as possible to limit their own certainties around what hip hop can and might mean. While ethnographic approaches can engender the kinds of personal dislocations that allow for this negotiation, they do not…

  20. Simulation of vacancy migration energy in Cu under high strain

    International Nuclear Information System (INIS)

    Sato, K.; Yoshiie, T.; Satoh, Y.; Xu, Q.; Kiritani, M.

    2003-01-01

    The activation energy for the migration of vacancies in Cu under high strain was calculated by computer simulation using static methods. The migration energy of vacancies was 0.98 eV in the absence of deformation. It varied with the migration direction and stress direction because the distance between a vacancy and its neighboring atoms changes by deformation. For example, the migration energy for the shortest migration distance was reduced to 9.6 and 39.4% of its initial value by 10% compression and 20% elongation, respectively, while that for the longest migration distance was raised to 171.7 by 20% elongation. If many vacancies are created during high-speed deformation, the lowering of migration energy enables vacancies to escape to sinks such as surfaces, even during the shorter deformation period. The critical strain rate above which the strain rate dependence of vacancy accumulation ceases to exist increases with the lowering of vacancy migration energy

  1. Interaction of oxygen with zirconia surface

    International Nuclear Information System (INIS)

    Ivankiv, L.I.; Ketsman, I.V.

    1999-01-01

    The influence of surface heat treatment, electron (50-800) eV irradiation and UV (180-300) nM illumination of adsorption system on the state of oxygen adsorbed on zirconia surface have been investigated. On the basis of experimental results obtained by investigation of photon emission accompanying oxygen adsorption (AL) and TPD data existence of adsorption sites on the surface is suggested on which irreversible dissociative adsorption of oxygen occurs. These very sites are associated with emission processes Conclusion is made that the only type of adsorption sites connected with anion vacancy is present on zirconia surface and this is its charge state that determines the state of adsorbed oxygen. One of the important mechanisms by which the electron and UV photon excitation affects the adsorption interaction is the change of the charge state of the adsorption site

  2. Large bandgap narrowing in rutile TiO2 aimed towards visible light applications and its correlation with vacancy-type defects history and transformation

    Science.gov (United States)

    Nair, Radhika V.; Gayathri, P. K.; Siva Gummaluri, Venkata; Nambissan, P. M. G.; Vijayan, C.

    2018-01-01

    Extension of photoactivity of TiO2 to the visible region is achievable via effective control over the intrinsic defects such as oxygen and Ti vacancies, which has several applications in visible photocatalysis and sensing. We present here the first observation of an apparent bandgap narrowing and bandgap tuning effect due to vacancy cluster transformation in rutile TiO2 structures to 1.84 eV from the bulk bandgap of 3 eV. A gradual transformation of divacancies (V Ti-O) to tri vacancies ({{V}Ti-O-T{{i-}}} ) achieved through a controlled solvothermal scheme appears to result in an apparent narrowing bandgap and tunability, as supported by positron annihilation lifetime and electron paramagnetic resonance spectroscopy measurements. Visible photocatalytic activity of the samples is demonstrated in terms of photodegradation of rhodamine B dye molecules.

  3. Hip-Hop as a Resource for Understanding the Urban Context: A Review of Christopher Edmin's--Science Education for the Hip-Hop Generation, Sense Publishers, Rotterdam, 2010

    Science.gov (United States)

    Brown, Bryan

    2010-01-01

    This review explores Edmin's "Science education for the hip-hop generation" by documenting how he frames hip-hop as a means to access urban student culture. He argues that hip-hop is more than a mere music genre, but rather a culture that provides young people with ways of connecting to the world. Two primary ideas emerged as central to…

  4. Scavenging of oxygen vacancies at modulation-doped oxide interfaces: Evidence from oxygen isotope tracing

    DEFF Research Database (Denmark)

    Chen, Yunzhong; Döbeli, M.; Pomjakushina, E.

    2017-01-01

    , the mechanisms underlying the extreme mobility enhancement remain elusive. Herein, we used 18O isotope exchanged SrTi18O3 as substrates to create 2DEG at room temperature with and without the LSMO buffer layer. By mapping the oxygen profile across the interface between STO18 and disordered LaAlO3 or yttria...

  5. Adjacent Fe-Vacancy Interactions as the Origin of Room Temperature Ferromagnetism in (In(1-x)Fe(x))2O3.

    Science.gov (United States)

    Green, R J; Regier, T Z; Leedahl, B; McLeod, J A; Xu, X H; Chang, G S; Kurmaev, E Z; Moewes, A

    2015-10-16

    Dilute magnetic semiconductors (DMSs) show great promise for applications in spin-based electronics, but in most cases continue to elude explanations of their magnetic behavior. Here, we combine quantitative x-ray spectroscopy and Anderson impurity model calculations to study ferromagnetic Fe-substituted In2O3 films, and we identify a subset of Fe atoms adjacent to oxygen vacancies in the crystal lattice which are responsible for the observed room temperature ferromagnetism. Using resonant inelastic x-ray scattering, we map out the near gap electronic structure and provide further support for this conclusion. Serving as a concrete verification of recent theoretical results and indirect experimental evidence, these results solidify the role of impurity-vacancy coupling in oxide-based DMSs.

  6. Kinetic Monte Carlo Simulation of Oxygen and Cation Diffusion in Yttria-Stabilized Zirconia

    Science.gov (United States)

    Good, Brian

    2011-01-01

    Yttria-stabilized zirconia (YSZ) is of interest to the aerospace community, notably for its application as a thermal barrier coating for turbine engine components. In such an application, diffusion of both oxygen ions and cations is of concern. Oxygen diffusion can lead to deterioration of a coated part, and often necessitates an environmental barrier coating. Cation diffusion in YSZ is much slower than oxygen diffusion. However, such diffusion is a mechanism by which creep takes place, potentially affecting the mechanical integrity and phase stability of the coating. In other applications, the high oxygen diffusivity of YSZ is useful, and makes the material of interest for use as a solid-state electrolyte in fuel cells. The kinetic Monte Carlo (kMC) method offers a number of advantages compared with the more widely known molecular dynamics simulation method. In particular, kMC is much more efficient for the study of processes, such as diffusion, that involve infrequent events. We describe the results of kinetic Monte Carlo computer simulations of oxygen and cation diffusion in YSZ. Using diffusive energy barriers from ab initio calculations and from the literature, we present results on the temperature dependence of oxygen and cation diffusivity, and on the dependence of the diffusivities on yttria concentration and oxygen sublattice vacancy concentration. We also present results of the effect on diffusivity of oxygen vacancies in the vicinity of the barrier cations that determine the oxygen diffusion energy barriers.

  7. Mechanical control of magnetism in oxygen deficient perovskite SrTiO3.

    Science.gov (United States)

    Zhang, Yajun; Wang, Jie; Sahoo, M P K; Shimada, Takahiro; Kitamura, Takayuki

    2015-10-28

    Mechanical control of magnetism in perovskite oxides is an important and promising approach in spintronics. Based on the first-principles calculations, we demonstrate that a negative pressure leads to a great enhancement of magnetic moment in deficient SrTiO3 with oxygen vacancies, whereas a positive pressure results in the gradual disappearance of magnetism. Spin charge density, Bader charge analysis and electronic density of states successfully elucidate the origin and underlying physics of the enhancement and disappearance of magnetism. It is found that the split electronic states of dz(2), dyz and dzx in the 3d orbitals of Ti atoms remarkably contribute to the occupancy of majority spin states under negative pressure, which induces a large magnetic moment. Under positive pressure, however, the equal occupancy of both majority and minority t2g and eg states leads to the disappearance of magnetization. In addition, both negative and positive pressures can largely lower the vacancy formation enthalpy, suggesting that the oxygen vacancy is preferable with pressure. Our findings may provide a mechanism to achieve the pressure control of magnetization in nonmagnetic perovskite oxides.

  8. Connectivity model for Inter-working multi-hop wireless networks

    CSIR Research Space (South Africa)

    Salami, O

    2009-08-01

    Full Text Available pairs in inter-working multi-hop wireless networks can be evaluated based on the availability of radio links and communication routes. This paper presents an analytical study of the link and route availability in inter-working multi-hop wireless networks....

  9. Vacancy defect and defect cluster energetics in ion-implanted ZnO

    Science.gov (United States)

    Dong, Yufeng; Tuomisto, F.; Svensson, B. G.; Kuznetsov, A. Yu.; Brillson, Leonard J.

    2010-02-01

    We have used depth-resolved cathodoluminescence, positron annihilation, and surface photovoltage spectroscopies to determine the energy levels of Zn vacancies and vacancy clusters in bulk ZnO crystals. Doppler broadening-measured transformation of Zn vacancies to vacancy clusters with annealing shifts defect energies significantly lower in the ZnO band gap. Zn and corresponding O vacancy-related depth distributions provide a consistent explanation of depth-dependent resistivity and carrier-concentration changes induced by ion implantation.

  10. Electrolytic conductivity-the hopping mechanism of the proton and beyond

    International Nuclear Information System (INIS)

    Gileadi, E.; Kirowa-Eisner, E.

    2006-01-01

    The hopping mechanism of electrolytic conductivity is analyzed, employing mixtures of two solvents: one that sustains the hopping mechanism and the other that does not inhibit it directly, but interferes with it by diluting the solvent that sustains hopping. Measurement of the equivalent conductivity shows that the excess proton conductivities of H 3 O + and OH - increases with increasing temperature, although the number of hydrogen bonds is known to decrease. In mixtures of acetonitrile with water, proton hopping does not start until a threshold concentration of about 20 vol.% water has been reached, while no such threshold concentration is observed upon addition of methanol to acetonitrile. It is concluded that in the former the proton is transferred to a cluster of water molecules, which can be formed only if there is enough water in the solvent mixture. This observation leads to the concept of mono-water, which is the state of water molecules when they constitute a small minority in the solvent mixtures, as opposed to bulk water, which consists of clusters of variable sizes. Systems in which a hopping mechanism of heavy ions has been observed include Br - /Br 2 and I - /I 2 . In these cases the triple ions Br 3 - and I 3 - , respectively are formed, and serve as the mediators for the transfer of the simple halogen ion. A very large increase of conductivity was observed upon solidification of the Br - /Br 3 - system, probably caused by favorable linear alignment of ions in the solid. The conductivity of acidified methanol decreases upon addition of water, because the affinity of the proton to water is higher than to methanol, thus water can act as a scavenger for protons. This behavior exemplifies a general observation, namely that conductivity by hopping can only occur when the Gibbs energy of the system does not change significantly following ion transfer; otherwise the ions would be trapped in the more stable state, hindering further propagation by hopping

  11. On the stability and mobility of di-vacancies in tungsten

    Science.gov (United States)

    Heinola, K.; Djurabekova, F.; Ahlgren, T.

    2018-02-01

    Properties of small vacancy clusters in tungsten were studied with first-principles calculations. The binding and formation energies of the vacancy clusters increase with the cluster size. Dynamic characteristics of a di-vacancy were specified between room temperature and 700 K with lattice kinetic Monte Carlo calculations, which were parametrised with the present first-principles results for the dissociation barriers. An Arrhenius fit for the di-vacancy diffusion yielded \

  12. Double K-vacancy production by x-ray photoionization

    International Nuclear Information System (INIS)

    Southworth, S. H.; Dunford, R. W.; Kanter, E. P.; Krassig, B.; Young, L.; Armen, G. B.; Levin, J. C.; Chen, M. H.; Ederer, D. L.

    2002-01-01

    We have studied double K-shell photoionization of Ne and Mo (Z = 10 and 42) at the Advanced Photon Source. Double K-vacancy production in Ne was observed by recording the KK-KLL Auger hypersatellite spectrum. Comparison is made with calculations using the multiconfiguration Dirac-Fock method. For Mo, double K-vacancy production was observed by recording the Kα, β fluorescence hypersatellite and satellite x rays in coincidence. From the intensities of the Auger or x-ray hypersatellites relative to diagram lines, the probabilities for double K-vacancy production relative to single K-vacancies were determined. These results, along with reported measurements on other atoms, are compared with Z-scaling calculations of the high-energy limits of the double-to-single K-shell photoionization ratio

  13. Growth and Dielectric Properties of Ta-Doped La2Ti2O7 Single Crystals

    Directory of Open Access Journals (Sweden)

    Hui Wang

    2018-02-01

    Full Text Available High-quality Ta-doped La2Ti2O7 (Ta-LTO single crystal of about 40 mm in length and 5 mm in diameter was successfully prepared by the optical floating zone method. An X-ray rocking curve reveals that the crystal of LTO has excellent crystalline quality. As-grown crystals were transparent after annealing in air and the transmittance is up to 76% in the visible and near-infrared region. X-ray diffraction showed that this compound possessed a monoclinic structure with P21 space group. The dielectric properties were investigated as functions of temperature (0~300 °C and frequency (102 Hz~105 Hz. Dielectric spectra indicated an increase in the room-temperature dielectric constant accompanied by a drop in the loss tangent as a result of the Ta doping. One relaxation was observed in the spectra of electric modulus, which was ascribed to be related to the oxygen vacancy. The dielectric relaxation with activation energy of 1.16 eV is found to be the polaron hopping caused by the oxygen vacancies.

  14. Donor structure and electric transport mechanism in β-Ga2O3

    International Nuclear Information System (INIS)

    Yamaga, Mitsuo; Villora, Encarnacion G.; Shimamura, Kiyoshi; Ichinose, Noboru; Honda, Makoto

    2003-01-01

    The electron paramagnetic resonance (EPR) study of β-Ga 2 O 3 crystals gives evidence that donors can be regarded as O 2- vacancies trapping single electrons. The Lorentzian line shape of the EPR spectra observed in the range of 5-300 K, which exhibit anisotropic g values, suggests that motional narrowing occurs in this temperature range. For any magnetic-field orientation a single EPR line is observed, indicating that donor electrons are predominantly created in one of the three different oxygen sites in the β-Ga 2 O 3 crystal. A previous transmission electron microscopy study suggested that a break of symmetry in domains of 2-3 nm correlates with a preceding cluster model of oxygen vacancies. From the temperature dependence of the EPR linewidth and the electrical conductivity it is found that the electron conduction in the clusters and/or between them is governed by a tunneling process at low temperatures, whereas at temperatures above 50 K, the transport of electrons through hopping between the clusters is thermally activated

  15. Low-power resistive random access memory by confining the formation of conducting filaments

    International Nuclear Information System (INIS)

    Huang, Yi-Jen; Lee, Si-Chen; Shen, Tzu-Hsien; Lee, Lan-Hsuan; Wen, Cheng-Yen

    2016-01-01

    Owing to their small physical size and low power consumption, resistive random access memory (RRAM) devices are potential for future memory and logic applications in microelectronics. In this study, a new resistive switching material structure, TiO_x/silver nanoparticles/TiO_x/AlTiO_x, fabricated between the fluorine-doped tin oxide bottom electrode and the indium tin oxide top electrode is demonstrated. The device exhibits excellent memory performances, such as low operation voltage (<±1 V), low operation power, small variation in resistance, reliable data retention, and a large memory window. The current-voltage measurement shows that the conducting mechanism in the device at the high resistance state is via electron hopping between oxygen vacancies in the resistive switching material. When the device is switched to the low resistance state, conducting filaments are formed in the resistive switching material as a result of accumulation of oxygen vacancies. The bottom AlTiO_x layer in the device structure limits the formation of conducting filaments; therefore, the current and power consumption of device operation are significantly reduced.

  16. Electron hopping through proteins

    Czech Academy of Sciences Publication Activity Database

    Warren, J. J.; Ener, M. E.; Vlček, Antonín; Winkler, J. R.; Gray, H. B.

    2012-01-01

    Roč. 256, 21-22 (2012), s. 2478-2487 ISSN 0010-8545 R&D Projects: GA MŠk(CZ) ME10124 Institutional support: RVO:61388955 Keywords : electron transfer * multistep tunneling * hopping maps Subject RIV: CG - Electrochemistry Impact factor: 11.016, year: 2012

  17. Oxygen vacancies effect on ionic conductivity and relaxation phenomenon in undoped and Mn doped PZN-4.5PT single crystals

    International Nuclear Information System (INIS)

    Kobor, Diouma; Guiffard, Benoit; Lebrun, Laurent; Hajjaji, Abdelowahed; Guyomar, Daniel

    2007-01-01

    AC-impedance spectroscopic studies in the temperature range 550-700 deg. C are carried out on undoped and Mn doped PZN-PT single crystals grown by the flux method. The variation of dielectric permittivity with temperature at different frequencies shows normal ferroelectric and relaxor-like dependence for the doped and undoped crystals, respectively. Temperature-dependent spectroscopic modulus plots reveal a much broader peak for PZN-4.5PT + 1%Mn compared with that for PZN-4.5PT, which is different from the dielectric behaviour of the doped one. Complex modulus imaginary part (Z-prime) versus real part (Z') plots fit well with one semicircle thus indicating only bulk contribution. The relaxation observed in the spectroscopic plots was assigned to mobile relaxor species such as oxygen vacancies and ions. No such relaxation could be observed for PZN-4.5PT + 1%Mn in the dielectric measurements. For both undoped and Mn doped crystals, the conduction behaviour was modelled by the universal dynamic response equation and by the NTC (negative temperature coefficient) materials resistance-temperature behaviour. A large difference in behaviour was found between the two single crystals such as the thermistor coefficients and the activation energy values, which could explain the increase in the thermal stability observed in the Mn doped PZN-PT single crystals by many studies

  18. Population dynamics and integrated control of the damson-hop aphid Phorodon humuli (Schrank on hops in Spain

    Directory of Open Access Journals (Sweden)

    A. Lorenzana

    2013-04-01

    Full Text Available The hop aphid Phorodon humuli (Schrank (Hemiptera: Aphididae is a serious pest in most areas where hops are grown. A field trial was performed on a hop yard throughout 2002, 2003 and 2004 in León (Spain in order to analyse the population development of Phorodon humuli and its natural enemies, as well as to determine the most effective integrated program of insecticide treatments. The basic population development pattern of P. humuli was similar in the three years: the population peaked between mid to late June, and then decreased in late June/early July, rising again and reaching another peak in mid-July, after which it began to decline, rising once more in late August; this last rise is characteristic of Spain and has not been recorded in the rest of Europe. The hop aphid’s main natural enemy found on the leaves was Coccinella septempunctata (Coleoptera: Coccinellidae. The multiple regression analysis showed that aphids are positively related with the presence of beetle eggs and mean daily temperatures and negatively related with maximum daily temperature integral above 27ºC in plots without insecticide treatment. The most effective program of insecticide (imidacloprid treatments consisted of an initial treatment in June and a second treatment in the second half of July or at the beginning of August. However, a single treatment in June would be sufficient when in this last period the maximum daily temperatures were higher than 27ºC for at least 15 days, avoiding in this way the harmful effects of imidacloprid on predators.

  19. Hop/STI1 modulates retinal proliferation and cell death independent of PrPC

    International Nuclear Information System (INIS)

    Arruda-Carvalho, Maithe; Njaine, Brian; Silveira, Mariana S.; Linden, Rafael; Chiarini, Luciana B.

    2007-01-01

    Hop/STI1 is a co-chaperone adaptor protein for Hsp70/Hsp90 complexes. Hop/STI1 is found extracellularly and modulates cell death and differentiation through interaction with the prion protein (PrP C ). Here, we investigated the expression of hop/STI1 and its role upon cell proliferation and cell death in the developing retina. Hop/STI1 is more expressed in developing rat retina than in the mature tissue. Hop/STI1 blocks retinal cell death in the neuroblastic layer (NBL) in a PrP C dependent manner, but failed to protect ganglion cells against axotomy-induced cell death. An antibody raised against hop/STI1 (α-STI1) blocked both ganglion cell and NBL cell death independent of PrP C . cAMP/PKA, ERK, PI3K and PKC signaling pathways were not involved in these effects. Hop/STI1 treatment reduced proliferation, while α-STI1 increased proliferation in the developing retina, both independent of PrP C . We conclude that hop/STI1 can modulate both proliferation and cell death in the developing retina independent of PrP C

  20. Antimicrobial activity of hop extracts against foodborne pathogens for meat applications.

    Science.gov (United States)

    Kramer, B; Thielmann, J; Hickisch, A; Muranyi, P; Wunderlich, J; Hauser, C

    2015-03-01

    The objective of this study was the fundamental investigation of the antimicrobial efficiency of various hop extracts against selected foodborne pathogens in vitro, as well as their activity against Listeria monocytogenes in a model meat marinade and on marinated pork tenderloins. In a first step, the minimum inhibitory concentrations (MIC) of three hop extracts containing either α- or β-acids or xanthohumol were determined against test bacteria including L. monocytogenes, Staphylococcus aureus, Salmonella enterica and Escherichia coli by a colorimetric method based on the measurement of bacterial metabolic activity. Moreover, the influence of either lactic or citric acid on the antimicrobial activity of the hop extracts was evaluated. The efficiency of hop extracts as a natural food preservative was then tested in a model meat marinade at 2 and 8°C, respectively, and finally on marinated pork. The experiments showed that Gram-positive bacteria were strongly inhibited by hop extracts containing β-acids and xanthohumol (MIC values of 6.3 and 12.5 ppm, respectively), whereas the antimicrobial activity of the investigated α-acid extract was significantly lower (MIC values of 200 ppm). Gram-negative bacteria were highly resistant against all tested hop extracts. Acidification of the test media led to a decrease of the MIC values. The inhibitory activity of the hop extracts against L. monocytogenes was strongly reduced in a fat-containing model meat marinade, but the efficiency of β-acids in this matrix could be increased by lowering pH and storage temperatures. By applying 0.5 % β-acids at pH = 5 in a model marinade, the total aerobic count of pork tenderloins was reduced up to 0.9 log10 compared with marinated pork without hop extract after 2 weeks of storage at 5°C. β-acid containing hop extracts have proven to possess a high antimicrobial activity against Gram-positive bacteria in vitro and in a practice-related application for food preservation

  1. Hopping models and ac universality

    DEFF Research Database (Denmark)

    Dyre, Jeppe; Schrøder, Thomas

    2002-01-01

    Some general relations for hopping models are established. We proceed to discuss the universality of the ac conductivity which arises in the extreme disorder limit of the random barrier model. It is shown that the relevant dimension entering into the diffusion cluster approximation (DCA) is the h......Some general relations for hopping models are established. We proceed to discuss the universality of the ac conductivity which arises in the extreme disorder limit of the random barrier model. It is shown that the relevant dimension entering into the diffusion cluster approximation (DCA......) is the harmonic (fracton) dimension of the diffusion cluster. The temperature scaling of the dimensionless frequency entering into the DCA is discussed. Finally, some open problems regarding ac universality are listed....

  2. Moessbauer effect and vacancy diffusion

    International Nuclear Information System (INIS)

    Gunther, L.

    1976-01-01

    A dynamical theory of vacancy diffusion which was motivated by the need to explain recent experimental results for the Moessbauer spectra of Fe in Cu, Fe in Au and Fe in Al is presented. Diffusion in these systems is dominated by the vacancy mechanism, which involves strong correlations between successive jumps. The theory developed by Singwi and Sjoelander for the Moessbauer spectrum of a diffusing nucleus is therefore not applicable. The inverse of the normalized Moessbauer spectrum evaluated at zero frequency is introduced as a useful means of comparing experimental with theoretical spectral widths

  3. Understanding Mott's law from scaling of variable-range-hopping currents and intrinsic current fluctuations

    NARCIS (Netherlands)

    Pasveer, W.F.; Michels, M.A.J.

    2006-01-01

    We have used the master equation to simulate variable-range hopping (VRH) of charges in a strongly disordered d-dimensional energy landscape (d=1,2,3). The current distribution over hopping distances and hopping energies gives a clear insight into the difference between hops that occur most

  4. Climate, weather, and hops

    Science.gov (United States)

    As climate and weather become more variable, hop growers face increased uncertainty in making decisions about their crop. Given the unprecedented nature of these changes, growers may no longer have enough information and intuitive understanding to adequately assess the situation and evaluate their m...

  5. High Order Differential Frequency Hopping: Design and Analysis

    Directory of Open Access Journals (Sweden)

    Yong Li

    2015-01-01

    Full Text Available This paper considers spectrally efficient differential frequency hopping (DFH system design. Relying on time-frequency diversity over large spectrum and high speed frequency hopping, DFH systems are robust against hostile jamming interference. However, the spectral efficiency of conventional DFH systems is very low due to only using the frequency of each channel. To improve the system capacity, in this paper, we propose an innovative high order differential frequency hopping (HODFH scheme. Unlike in traditional DFH where the message is carried by the frequency relationship between the adjacent hops using one order differential coding, in HODFH, the message is carried by the frequency and phase relationship using two-order or higher order differential coding. As a result, system efficiency is increased significantly since the additional information transmission is achieved by the higher order differential coding at no extra cost on either bandwidth or power. Quantitative performance analysis on the proposed scheme demonstrates that transmission through the frequency and phase relationship using two-order or higher order differential coding essentially introduces another dimension to the signal space, and the corresponding coding gain can increase the system efficiency.

  6. Hopping system control with an approximated dynamics model and upper-body motion

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Hyang Jun; Oh, Jun Ho [KAIST, Daejeon (Korea, Republic of)

    2015-11-15

    A hopping system is highly non-linear due to the nature of its dynamics, which has alternating phases in a cycle, flight and stance phases and related transitions. Every control method that stabilizes the hopping system satisfies the Poincaré stability condition. At the Poincaré section, a hopping system cycle is considered as discrete sectional data set. By controlling the sectional data in a discrete control form, we can generate a stable hopping cycle. We utilize phase-mapping matrices to build a Poincaré return map by approximating the dynamics of the hopping system with SLIP model. We can generate various Poincaré stable gait patterns with the approximated discrete control form which uses upper-body motions as inputs.

  7. Investigating Cultural Collision: Educators' Perceptions of Hip-Hop Culture

    Science.gov (United States)

    Beachum, Floyd D.

    2013-01-01

    Hip-hop music has been embraced worldwide by youth, pummeled in the media for supposedly increasing social misery and hailed as a significant musical breakthrough. Hip-hop culture has transcended musical boundaries and now impacts speech, clothing, mannerisms, movies, websites, television programming, magazines, and energy drinks (Dyson, 2007;…

  8. Oxygen nonstoichiometry and defects in Mn-doped Gd2Ti2O7+x

    International Nuclear Information System (INIS)

    Porat, O.; Tuller, H.L.

    1996-01-01

    The oxygen nonstoichiometry in Mn-doped Gd 2 Ti 2 O 7 , Gd 2 (Ti 0.975 Mn 0.025 ) 2 O 7+x , was measured electrochemically, as a function of temperature and oxygen partial pressure, with the aid of an oxygen titration cell. The analysis of the data shows that the defect equilibrium can be described by considering the dominant point defects to be neutral oxygen interstitials, doubly charged oxygen vacancies, and trivalent and quadrivalent Mn ions substituted in the Ti sites. The enthalpies for the formation of neutral oxygen interstitials and trivalent Mn are determined

  9. Stress dependence of oxygen diffusion in ZrO{sub 2} film

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Yasunori, E-mail: yasu-yamamoto@iae.kyoto-u.ac.jp [Graduate School of Energy Science, Kyoto University, Uji, Kyoto 611-0011 (Japan); Morishita, Kazunori [Institute of Advanced Energy, Kyoto University, Uji, Kyoto 611-0011 (Japan); Iwakiri, Hirotomo [Faculty of Education, University of the Ryukyus, Nakagami-gun, Okinawa 903-0213 (Japan); Kaneta, Yasunori [Akita National College of Technology, Akita, Akita 011-8511 (Japan)

    2013-05-15

    First principles calculations were performed to evaluate the effect of stress on the diffusion process of oxygen atoms in monoclinic and tetragonal ZrO{sub 2}. The formation and migration energies of an oxygen vacancy were obtained as a function of applied stress. Our results show that the formation and migration energies increase when the compressive stress is applied, which causes a reduction in the diffusion coefficient of an oxygen atom in ZrO{sub 2}. This may explain the experimental observation that the oxide film grows in proportion to the cubic root of time.

  10. Degradation of hop bitter acids by fungi

    International Nuclear Information System (INIS)

    Huszcza, Ewa; Bartmanska, Agnieszka; Aniol, Miroslaw; Maczka, Wanda; Zolnierczyk, Anna; Wawrzenczyk, Czeslaw

    2008-01-01

    Nine fungal strains related to: Trametes versicolor, Nigrospora oryzae, Inonotus radiatus, Crumenulopsis sororia, Coryneum betulinum, Cryptosporiopsis radicicola, Fusarium equiseti, Rhodotorula glutinis and Candida parapsilosis were tested for their ability to degrade humulones and lupulones. The best results were obtained for T. versicolor culture, in which humulones and lupulones were fully degraded after 4 days of incubation in the dark or after 36 h in the light. The experiments were performed on a commercial hop extract and on sterilized spent hops

  11. A new method of hybrid frequency hopping signals selection and blind parameter estimation

    Science.gov (United States)

    Zeng, Xiaoyu; Jiao, Wencheng; Sun, Huixian

    2018-04-01

    Frequency hopping communication is widely used in military communications at home and abroad. In the case of single-channel reception, it is scarce to process multiple frequency hopping signals both effectively and simultaneously. A method of hybrid FH signals selection and blind parameter estimation is proposed. The method makes use of spectral transformation, spectral entropy calculation and PRI transformation basic theory to realize the sorting and parameter estimation of the components in the hybrid frequency hopping signal. The simulation results show that this method can correctly classify the frequency hopping component signal, and the estimated error of the frequency hopping period is about 5% and the estimated error of the frequency hopping frequency is less than 1% when the SNR is 10dB. However, the performance of this method deteriorates seriously at low SNR.

  12. VACANCIES AND THE RECRUITMENT OF NEW EMPLOYEES

    NARCIS (Netherlands)

    VANOURS, J; RIDDER, G

    Little is known about the search strategy that employers use in their efforts to fill job vacancies. In this article, we analyze unique micro data to study this search strategy. We conclude that almost all vacancies are filled from a pool of applicants that is formed shortly after the posting of the

  13. Crossover in tunneling hops in systems of strongly localized electrons

    International Nuclear Information System (INIS)

    Lien Nguyen, V.; Gamietea, A.D.

    1995-11-01

    Accurate Monte-Carlo simulation data show a consistent crossover in different characters of tunneling hops in two-dimensional systems of strongly localized electrons in the presence of scattering and quantum interference of hopping paths. The results also suggest a negative answer to the question whether there is a two-dimensional sign phase transition. The fractal behaviour observed in the direction perpendicular to the hopping direction is found to be similar to that for eigenstates in one-dimensional localized systems. (author). 16 refs, 6 figs

  14. Hsp70/Hsp90 organising protein (hop): beyond interactions with chaperones and prion proteins.

    Science.gov (United States)

    Baindur-Hudson, Swati; Edkins, Adrienne L; Blatch, Gregory L

    2015-01-01

    The Hsp70/Hsp90 organising protein (Hop), also known as stress-inducible protein 1 (STI1), has received considerable attention for diverse cellular functions in both healthy and diseased states. There is extensive evidence that intracellular Hop is a co-chaperone of the major chaperones Hsp70 and Hsp90, playing an important role in the productive folding of Hsp90 client proteins. Consequently, Hop is implicated in a number of key signalling pathways, including aberrant pathways leading to cancer. However, Hop is also secreted and it is now well established that Hop also serves as a receptor for the prion protein, PrP(C). The intracellular and extracellular forms of Hop most likely represent two different isoforms, although the molecular determinants of these divergent functions are yet to be identified. There is also a growing body of research that reports the involvement of Hop in cellular activities that appear independent of either chaperones or PrP(C). While Hop has been shown to have various cellular functions, its biological function remains elusive. However, recent knockout studies in mammals suggest that Hop has an important role in embryonic development. This review provides a critical overview of the latest molecular, cellular and biological research on Hop, critically evaluating its function in healthy systems and how this function is adapted in diseases states.

  15. Assessing hafnium on hafnia as an oxygen getter

    International Nuclear Information System (INIS)

    O'Hara, Andrew; Demkov, Alexander A.; Bersuker, Gennadi

    2014-01-01

    Hafnium dioxide or hafnia is a wide band gap dielectric used in a range of electronic applications from field effect transistors to resistive memory. In many of these applications, it is important to maintain control over oxygen stoichiometry, which can be realized in practice by using a metal layer, specifically hafnium, to getter oxygen from the adjacent dielectric. In this paper, we employ density functional theory to study the thermodynamic stability of an interface between (100)-oriented monoclinic hafnia and hafnium metal. The nudged elastic band method is used to calculate the energy barrier for migration of oxygen from the oxide to the metal. Our investigation shows that the presence of hafnium lowers the formation energy of oxygen vacancies in hafnia, but more importantly the oxidation of hafnium through the migration of oxygen from hafnia is favored energetically

  16. Strain Relaxation and Vacancy Creation in Thin Platinum Films

    International Nuclear Information System (INIS)

    Gruber, W.; Chakravarty, S.; Schmidt, H.; Baehtz, C.; Leitenberger, W.; Bruns, M.; Kobler, A.; Kuebel, C.

    2011-01-01

    Synchrotron based combined in situ x-ray diffractometry and reflectometry is used to investigate the role of vacancies for the relaxation of residual stress in thin metallic Pt films. From the experimentally determined relative changes of the lattice parameter a and of the film thickness L the modification of vacancy concentration and residual strain was derived as a function of annealing time at 130 deg. C. The results indicate that relaxation of strain resulting from compressive stress is accompanied by the creation of vacancies at the free film surface. This proves experimentally the postulated dominant role of vacancies for stress relaxation in thin metal films close to room temperature.

  17. Dissociative diffusion mechanism in vacancy-rich materials according to mass action kinetics

    Directory of Open Access Journals (Sweden)

    N. J. Biderman

    2016-05-01

    Full Text Available Two sets of diffusion-reaction numerical simulations using a finite difference method (FDM were conducted to investigate fast impurity diffusion via interstitial sites in vacancy-rich materials such as Cu(In,GaSe2 (CIGS and Cu2ZnSn(S, Se4 (CZTSSe or CZTS via the dissociative diffusion mechanism where the interstitial diffuser ultimately reacts with a vacancy to produce a substitutional. The first set of simulations extends the standard interstitial-limited dissociative diffusion theory to vacancy-rich material conditions where vacancies are annihilated in large amounts, introducing non-equilibrium vacancy concentration profiles. The second simulation set explores the vacancy-limited dissociative diffusion where impurity incorporation increases the equilibrium vacancy concentration. In addition to diffusion profiles of varying concentrations and shapes that were obtained in all simulations, some of the profiles can be fitted with the constant- and limited-source solutions of Fick’s second law despite the non-equilibrium condition induced by the interstitial-vacancy reaction. The first set of simulations reveals that the dissociative diffusion coefficient in vacancy-rich materials is inversely proportional to the initial vacancy concentration. In the second set of numerical simulations, impurity-induced changes in the vacancy concentration lead to distinctive diffusion profile shapes. The simulation results are also compared with published data of impurity diffusion in CIGS. According to the characteristic properties of diffusion profiles from the two set of simulations, experimental detection of the dissociative diffusion mechanism in vacancy-rich materials may be possible.

  18. Switched diversity strategies for dual-hop relaying systems

    KAUST Repository

    Gaaloul, Fakhreddine

    2011-04-29

    This paper investigates the effect of different switched diversity configurations on the implementation complexity and achieved performance of dual-hop amplify-and-forward (AF) relaying networks. A low-complexity model of the relay station is adopted, wherein single-input single-output antenna configuration is employed. Each of the transmitter and the receiver however employs multiple antennas to improve the overall link performance. Single-phase and two-phase based receive switching strategies are investigated assuming optimum first hop signal-to-noise ratio (SNR). Moreover, the simple scheme in which the switched diversity is applied independently over the two hops is studied using tight upper bounds. Thorough performance comparisons and switching thresholds optimization for the aforementioned strategies are presented. Simulation results are also provided to validate the mathematical development and to verify the numerical computations.

  19. Surface hopping simulation of vibrational predissociation of methanol dimer

    Science.gov (United States)

    Jiang, Ruomu; Sibert, Edwin L.

    2012-06-01

    The mixed quantum-classical surface hopping method is applied to the vibrational predissociation of methanol dimer, and the results are compared to more exact quantum calculations. Utilizing the vibrational SCF basis, the predissociation problem is cast into a curve crossing problem between dissociative and quasibound surfaces with different vibrational character. The varied features of the dissociative surfaces, arising from the large amplitude OH torsion, generate rich predissociation dynamics. The fewest switches surface hopping algorithm of Tully [J. Chem. Phys. 93, 1061 (1990), 10.1063/1.459170] is applied to both diabatic and adiabatic representations. The comparison affords new insight into the criterion for selecting the suitable representation. The adiabatic method's difficulty with low energy trajectories is highlighted. In the normal crossing case, the diabatic calculations yield good results, albeit showing its limitation in situations where tunneling is important. The quadratic scaling of the rates on coupling strength is confirmed. An interesting resonance behavior is identified and is dealt with using a simple decoherence scheme. For low lying dissociative surfaces that do not cross the quasibound surface, the diabatic method tends to overestimate the predissociation rate whereas the adiabatic method is qualitatively correct. Analysis reveals the major culprits involve Rabi-like oscillation, treatment of classically forbidden hops, and overcoherence. Improvements of the surface hopping results are achieved by adopting a few changes to the original surface hopping algorithms.

  20. Study of the oxygen and substrate bias effects on the defect structure of reactive sputter-deposited SnOx films

    International Nuclear Information System (INIS)

    Misheva, M.; Nancheva, N.; Docheva, P.; Hadjijska, P.; Djourelov, N.; Elenkov, D.

    1999-01-01

    The effects of oxygen and substrate bias on the defect structure of reactive sputter-deposited SnOx films were investigated. Samples were analysed using transmission electron microscopy (TEM), transmission electron diffraction (TED), X-ray diffraction (XRD) and positron annihilation spectroscopy (PAS). The oxygen played an important role in the film growth and surface morphology. TEM, TED and XRD showed that increasing of the oxygen partial pressure leads to the formation of films with different crystal phases. The void sizes also depended on oxygen partial pressure. The positron lifetimes and their relative intensities depended on the void concentration, the partial annealing of the vacancies and oxidation of SnO to SnOx. This investigation also showed that the mechanical strength of the films obtained at negative substrate bias is higher and the concentration of vacancy defects is smaller, than in the films, prepared without substrate bias. (author)

  1. Effects of powdery mildew fungicide programs on twospotted spider mite (Acari: Tetranychidae), hop aphid (Hemiptera: Aphididae), and their natural enemies in hop yards.

    Science.gov (United States)

    Gent, D H; James, D G; Wright, L C; Brooks, D J; Barbour, J D; Dreves, A J; Fisher, G C; Walton, V M

    2009-02-01

    Twospotted spider mite, Tetranychus urticae Koch (Acari: Tetranychidae), and hop aphid, Phorodon humuli (Schrank) (Hemiptera: Aphididae), are the most important arthropod pests of hop (Humulus lupulus L.) in the Northern Hemisphere. A potential barrier for greater adoption of conservation biological control strategies for spider mites and hop aphid is the extensive use of fungicides for management of hop powdery mildew, Podosphaera macularis (Wallr.:Fr.) U. Braun & S. Takamatsu. Field studies conducted in experimental plots in Oregon and Washington in 2005 and 2006 quantified the effects of powdery mildew fungicide programs (i.e., sulfur, paraffinic oil, and synthetic fungicides) on arthropod pests and natural enemies on hop. Fungicide treatment significantly affected spider mite populations in all four studies. Multiple applications of sulfur fungicides applied before burr development resulted in 1.4-3.3-fold greater spider mite populations during summer. Near the cessation of the sulfur applications, or after a lag of 20-30 d, spider mite populations increased significantly faster on sulfur treated plants compared with water-treated plants in three of four experiments. The effect of paraffinic oil on spider mites was varied, leading to exacerbation of spider mites in Oregon and Washington in 2005, suppression of mites in Oregon in 2006, and no significant effect compared with water in Washington in 2006. Significant relative treatment effects for cone damage due to spider mite feeding were detected in Oregon in 2005 in plots treated with sulfur and paraffinic oil compared with water and synthetic fungicides. Mean populations of hop aphids were similar among treatments in Oregon, although sulfur treatment suppressed hop aphid populations in Washington in 2005 and 2006. Populations of individual predacious insect species and cumulative abundance of macropredators were not consistently suppressed or stimulated by treatments in all trials. However, predatory mite

  2. Backoff-stage synchronization in three-hop string-topology wireless networks with hidden nodes

    Science.gov (United States)

    Sanada, Kosuke; Sekiya, Hiroo; Komuro, Nobuyoshi; Sakata, Shiro

    In IEEE 802.11 wireless multi-hop networks, each node works individually and their individual operations generate entire network dynamics. It is important to clarify the network dynamics in wireless multi-hop networks for designing and constructing multi-hop communication networks. This paper presents the network-dynamics investigations for three-hop string-topology wireless network in detail. From the investigations, a “backoff-stage synchronization” phenomenon, which is mutuality between hidden nodes, is found. The mechanism of the backoff-stage synchronization is expressed and the sufficient conditions for the synchronization occurrence are given. This phenomenon gives some impacts on the IEEE 802.11 multi-hop-network communications.

  3. Multi-Hop Link Capacity of Multi-Route Multi-Hop MRC Diversity for a Virtual Cellular Network

    Science.gov (United States)

    Daou, Imane; Kudoh, Eisuke; Adachi, Fumiyuki

    In virtual cellular network (VCN), proposed for high-speed mobile communications, the signal transmitted from a mobile terminal is received by some wireless ports distributed in each virtual cell and relayed to the central port that acts as a gateway to the core network. In this paper, we apply the multi-route MHMRC diversity in order to decrease the transmit power and increase the multi-hop link capacity. The transmit power, the interference power and the link capacity are evaluated for DS-CDMA multi-hop VCN by computer simulation. The multi-route MHMRC diversity can be applied to not only DS-CDMA but also other access schemes (i. e. MC-CDMA, OFDM, etc.).

  4. Vacancies in transition metals

    International Nuclear Information System (INIS)

    Allan, G.; Lannoo, M.

    1976-01-01

    A calculation of the formation energy and volume for a vacancy in transition metals is described. A tight-binding scheme is used for the d band and a Born-Mayer type potential to account for the repulsive part of the energy at small distances. The results show that the relaxation energy is small in all cases, less than 0.1 eV. This seems to be coherent with the good agreement obtained for the theoretical and experimental values of the formation energy Esub(F)sup(V) of the vacancy, without including relaxation. The center of the transitional series is found to give a contraction (Formation volume of order -0.4 at.vol.) whereas the edges are found to produce dilations. (author)

  5. Adjusting Sensing Range to Maximize Throughput on Ad-Hoc Multi-Hop Wireless Networks

    National Research Council Canada - National Science Library

    Roberts, Christopher

    2003-01-01

    .... Such a network is referred to as a multi-hop ad-hoc network, or simply a multi-hop network. Most multi-hop network protocols use some form of carrier sensing to determine if the wireless channel is in use...

  6. Oxygen microclusters in Czochralski-grown Si probed by positron annihilation

    International Nuclear Information System (INIS)

    Uedono, Akira; Wei Long; Tanigawa, Shoichiro; Kawano, Takao; Ikari, Atsushi; Kawakami, Kazuto; Itoh, Hisayoshi.

    1994-01-01

    Trapping of positrons by oxygen microclusters in Czochralski-grown Si was studied. Lifetime spectra of positrons were measured for Si specimens annealed in the temperature range between 450degC and 1000degC. Positrons were found to be trapped by oxygen microclusters, and the trapping rate of positrons into such defects increased with increasing annealing temperature. In order to investigate the clustering behaviors of oxygen atoms in more derail, vacancy-oxygen complexes, V n O m (n,m=1,2, ···), were introduced by 3MeV electron irradiation. The concentration of monovacancy-oxygen complexes VO m (m=2,3, ···) increased with increasing annealing temperature. These facts were attributed that the oxygen microclusters, O m , were introduced by annealing above 700degC. (author)

  7. Creation of quantum entanglement with two separate diamond nitrogen vacancy centers coupled to a photonic molecule

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Siping [School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); School of Physics and Electronic Engineering, Hubei University of Arts and Science, Xiangyang 441053 (China); Yu, Rong, E-mail: rong-yu2013@163.com [School of Science, Hubei Province Key Laboratory of Intelligent Robot, Wuhan Institute of Technology, Wuhan 430073 (China); Li, Jiahua, E-mail: huajia-li@163.com [School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China); Key Laboratory of Fundamental Physical Quantities Measurement of Ministry of Education, Wuhan 430074 (China); Wu, Ying [School of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China)

    2013-12-28

    We explore the entanglement generation and the corresponding dynamics between two separate nitrogen-vacancy (NV) centers in diamond nanocrystal coupled to a photonic molecule consisting of a pair of coupled photonic crystal (PC) cavities. By calculating the entanglement concurrence with readily available experimental parameters, it is found that the entanglement degree strongly depends on the cavity-cavity hopping strength and the NV-center-cavity detuning. High concurrence peak and long-lived entanglement plateau can be achieved by properly adjusting practical system parameters. Meanwhile, we also discuss the influence of the coupling strength between the NV centers and the cavity modes on the behavior of the concurrence. Such a PC-NV system can be employed for quantum entanglement generation and represents a building block for an integrated nanophotonic network in a solid-state cavity quantum electrodynamics platform. In addition, the present theory can also be applied to other similar systems, such as two single quantum emitters positioned close to a microtoroidal resonator with the whispering-gallery-mode fields propagating inside the resonator.

  8. A Hybrid DV-Hop Algorithm Using RSSI for Localization in Large-Scale Wireless Sensor Networks.

    Science.gov (United States)

    Cheikhrouhou, Omar; M Bhatti, Ghulam; Alroobaea, Roobaea

    2018-05-08

    With the increasing realization of the Internet-of-Things (IoT) and rapid proliferation of wireless sensor networks (WSN), estimating the location of wireless sensor nodes is emerging as an important issue. Traditional ranging based localization algorithms use triangulation for estimating the physical location of only those wireless nodes that are within one-hop distance from the anchor nodes. Multi-hop localization algorithms, on the other hand, aim at localizing the wireless nodes that can physically be residing at multiple hops away from anchor nodes. These latter algorithms have attracted a growing interest from research community due to the smaller number of required anchor nodes. One such algorithm, known as DV-Hop (Distance Vector Hop), has gained popularity due to its simplicity and lower cost. However, DV-Hop suffers from reduced accuracy due to the fact that it exploits only the network topology (i.e., number of hops to anchors) rather than the distances between pairs of nodes. In this paper, we propose an enhanced DV-Hop localization algorithm that also uses the RSSI values associated with links between one-hop neighbors. Moreover, we exploit already localized nodes by promoting them to become additional anchor nodes. Our simulations have shown that the proposed algorithm significantly outperforms the original DV-Hop localization algorithm and two of its recently published variants, namely RSSI Auxiliary Ranging and the Selective 3-Anchor DV-hop algorithm. More precisely, in some scenarios, the proposed algorithm improves the localization accuracy by almost 95%, 90% and 70% as compared to the basic DV-Hop, Selective 3-Anchor, and RSSI DV-Hop algorithms, respectively.

  9. Savage Vernacular: Performing Race, Memory, and Hip Hop in Filipino America

    OpenAIRE

    Villegas, Mark

    2015-01-01

    By observing and analyzing live performances, music, visual art, interviews, television shows, and online discourse, this dissertation traces the ways in which Filipino American hip hop performance remembers the racialized histories of the Filipino body. Through both quotidian and spectacular performances in hip hop, Filipino Americans have been contributing to crucial forms of knowledge that help unpack the terms of Filipino and American culture. Hip hop culture, I argue, operates as a produ...

  10. "Deeper than Rap": Gifted Males and Their Relationship with Hip Hop Culture

    Science.gov (United States)

    Callahan, J. Sean; Grantham, Tarek C.

    2012-01-01

    One would be hard-pressed to deny the impact that hip hop is having on gifted students. More specifically, because hip hop is a creative and exciting male-dominated culture, gifted males gravitate to hip hop culture. From the perspective of two Black men from two different generations, this article was inspired by discussions about the role of hip…

  11. Measurement of oxygen thermomigration in a hypostoichiometric mixed oxide

    International Nuclear Information System (INIS)

    Norris, D.I.R.; Coleman, S.C.; Kay, P.

    1978-08-01

    A method of determining oxygen to metal ratios in hypostoichiometric (U, Ce)Osub(2-x) by means of lattice parameter measurement and its application to thermomigration experiments is described. The technique is shown to compare favourably with other methods when a simple structure prevails. It is found that oxygen redistributes down an imposed temperature gradient, confirming theoretical predictions, and that the measured Arrhenius slope decreases as the cerium valency decreases. This effect is more marked than in (U, Pu)Osub(2-x). The results are attributable to solid state transport of oxygen vacancies and suggest that immobile complexes incorporating some oxygen deficiency are more easily formed in (U, Ce)Osub(2-x) than in (U, Pu)Osub(2-x). (author)

  12. Oxygen Vacancies and Stacking Faults Introduced by Low-Temperature Reduction Improve the Electrochemical Properties of Li2MnO3 Nanobelts as Lithium-Ion Battery Cathodes.

    Science.gov (United States)

    Sun, Ya; Cong, Hengjiang; Zan, Ling; Zhang, Youxiang

    2017-11-08

    Among the Li-rich layered oxides Li 2 MnO 3 has significant theoretical capacity as a cathode material for Li-ion batteries. Pristine Li 2 MnO 3 generally has to be electrochemically activated in the first charge-discharge cycle which causes very low Coulombic efficiency and thus deteriorates its electrochemical properties. In this work, we show that low-temperature reduction can produce a large amount of structural defects such as oxygen vacancies, stacking faults, and orthorhombic LiMnO 2 in Li 2 MnO 3 . The Rietveld refinement analysis shows that, after a reduction reaction with stearic acid at 340 °C for 8 h, pristine Li 2 MnO 3 changes into a Li 2 MnO 3 -LiMnO 2 (0.71/0.29) composite, and the monoclinic Li 2 MnO 3 changes from Li 2.04 Mn 0.96 O 3 in the pristine Li 2 MnO 3 (P-Li 2 MnO 3 ) to Li 2.1 Mn 0.9 O 2.79 in the reduced Li 2 MnO 3 (R-Li 2 MnO 3 ), indicating the production of a large amount of oxygen vacancies in the R-Li 2 MnO 3 . High-resolution transmission electron microscope images show that a high density of stacking faults is also introduced by the low-temperature reduction. When measured as a cathode material for Li-ion batteries, R-Li 2 MnO 3 shows much better electrochemical properties than P-Li 2 MnO 3 . For example, when charged-discharged galvanostatically at 20 mA·g -1 in a voltage window of 2.0-4.8 V, R-Li 2 MnO 3 has Coulombic efficiency of 77.1% in the first charge-discharge cycle, with discharge capacities of 213.8 and 200.5 mA·h·g -1 in the 20th and 30th cycles, respectively. In contrast, under the same charge-discharge conditions, P-Li 2 MnO 3 has Coulombic efficiency of 33.6% in the first charge-discharge cycle, with small discharge capacities of 80.5 and 69.8 mA·h·g -1 in the 20th and 30th cycles, respectively. These materials characterizations, and electrochemical measurements show that low-temperature reduction is one of the effective ways to enhance the performances of Li 2 MnO 3 as a cathode material for Li-ion batteries.

  13. Being Hipped to Their Hop: Tapping into Young Minds through Hip Hop Play

    Science.gov (United States)

    Broughton, Anthony

    2017-01-01

    Adults gain a wealth of knowledge from listening to the voices of children through intentional observations and interactions [Owocki, G., and Y. M. Goodman. 2002. "Kidwatching: Documenting Children's Literacy Development." Portsmouth: Heinemann]. Hip Hop play may provide optimal opportunities for teachers to tap into the young minds of…

  14. Reduced step edges on rutile TiO (110) as competing defects to oxygen vacancies on the terraces and reactive sites for ethanol dissociation

    DEFF Research Database (Denmark)

    Martinez, U.; Hansen, Jonas Ørbæk; Salazar, Estephania Lira

    2012-01-01

    microscopy studies, we here present experimental evidence for the existence of O vacancies along the ⟨11̅ 1⟩R step edges (OS vac.’s) on rutile TiO2(110). Both the distribution of bridging O vacancies on the terraces and temperature-programed reaction experiments of ethanol-covered TiO2(110) point...... to the existence of the OS vac.’s. Based on experiments and density functional theory calculations, we show that OS vac.’s are reactive sites for ethanol dissociation via O-H bond scission. Implications of these findings are discussed...

  15. Starting with Style: Toward a Second Wave of Hip-Hop Education Research and Practice

    Science.gov (United States)

    Petchauer, Emery

    2015-01-01

    One fundamental breakthrough in the field of hip-hop education in recent years is the shift from understanding hip-hop solely as content to understanding hip-hop also as aesthetic form. In this article, I chart the roots of this shift across disciplines and focus on what it might mean for the future of hip-hop education, pedagogy, and research in…

  16. Hop powdery mildew control through alteration of spring pruning practices

    Science.gov (United States)

    Since 1997, Podosphaera macularis, the causal agent of hop powdery mildew, has become a recurrent threat to hops in the Pacific Northwest because of the potential to reduce cone yield and quality. Disease management practices often involve preventative fungicide applications, but alternative approac...

  17. Trap-assisted tunneling in aluminum-doped ZnO/indium oxynitride nanodot interlayer Ohmic contacts on p-GaN

    Energy Technology Data Exchange (ETDEWEB)

    Ke, Wen-Cheng, E-mail: wcke@mail.ntust.edu.tw; Yang, Cheng-Yi [Department of Materials Science and Engineering, National Taiwan University of Science and Technology, Taipei 106, Taiwan (China); Lee, Fang-Wei; Chen, Wei-Kuo [Department of Electrophysics, National Chiao-Tung University, Hsin-Chu 300, Taiwan (China); Huang, Hao-Ping [Department of Mechanical Engineering, Yuan Ze University, Chung-Li 320, Taiwan (China)

    2015-10-21

    This study developed an Ohmic contact formation method for a ZnO:Al (AZO) transparent conductive layer on p-GaN films involving the introduction of an indium oxynitride (InON) nanodot interlayer. An antisurfactant pretreatment was used to grow InON nanodots on p-GaN films in a RF magnetron sputtering system. A low specific contact resistance of 1.12 × 10{sup −4} Ω cm{sup 2} was achieved for a sample annealed at 500 °C for 30 s in nitrogen ambient and embedded with an InON nanodot interlayer with a nanodot density of 6.5 × 10{sup 8} cm{sup −2}. By contrast, a sample annealed in oxygen ambient exhibited non-Ohmic behavior. X-ray photoemission spectroscopy results showed that the oxygen vacancy (V{sub o}) in the InON nanodots played a crucial role in carrier transport. The fitting I–V characteristic curves indicated that the hopping mechanism with an activation energy of 31.6 meV and trap site spacing of 1.1 nm dominated the carrier transport in the AZO/InON nanodot/p-GaN sample. Because of the high density of donor-like oxygen vacancy defects at the InON nanodot/p-GaN interface, positive charges from the underlying p-GaN films were absorbed at the interface. This led to positive charge accumulation, creating a narrow depletion layer; therefore, carriers from the AZO layer passed through InON nanodots by hopping transport, and subsequently tunneling through the interface to enter the p-GaN films. Thus, AZO Ohmic contact can be formed on p-GaN films by embedding an InON nanodot interlayer to facilitate trap-assisted tunneling.

  18. Hip-Hop, the "Obama Effect," and Urban Science Education

    Science.gov (United States)

    Emdin, Christopher; Lee, Okhee

    2012-01-01

    Background/Context: With the ever increasing diversity of schools, and the persistent need to develop teaching strategies for the students who attend today's urban schools, hip-hop culture has been proposed to be a means through which urban youth can find success in school. As a result, studies of the role of hip-hop in urban education have grown…

  19. Hip Hop as Empowerment: Voices in El Alto, Bolivia

    Science.gov (United States)

    Tarifa, Ariana

    2012-01-01

    In response to neoliberal policies that have been in place since 1985, Bolivian young people have increasingly used hip hop music as a means of protest and to reclaim social and political participation. Hip hop in Latin America tells the story of the struggles that marginalized people have suffered, and speaks to the effects of international…

  20. Quantum transport in defective phosphorene nanoribbons: Effects of atomic vacancies

    Science.gov (United States)

    Li, L. L.; Peeters, F. M.

    2018-02-01

    Defects are almost inevitably present in realistic materials and defective materials are expected to exhibit very different properties than their nondefective (perfect) counterparts. Here, using a combination of the tight-binding approach and the scattering matrix formalism, we investigate the electronic transport properties of defective phosphorene nanoribbons (PNRs) containing atomic vacancies. We find that for both armchair PNRs (APNRs) and zigzag PNRs (ZPNRs), single vacancies can create quasilocalized states, which can affect their conductance. With increasing vacancy concentration, three different transport regimes are identified: ballistic, diffusive, and Anderson localized ones. In particular, ZPNRs that are known to be metallic due to the presence of edge states become semiconducting: edge conductance vanishes and transport gap appears due to Anderson localization. Moreover, we find that for a fixed vacancy concentration, both APNRs and ZPNRs of narrower width and/or longer length are more sensitive to vacancy disorder than their wider and/or shorter counterparts, and that for the same ribbon length and width, ZPNRs are more sensitive to vacancy disorder than APNRs.

  1. Joint Scheduling for Dual-Hop Block-Fading Broadcast Channels

    KAUST Repository

    Zafar, Ammar

    2012-09-16

    In this paper, we propose joint user-and-hop scheduling over dual-hop block-fading broadcast channels in order to exploit multi-user diversity gains and multi-hop diversity gains all together. To achieve this objective, the first and second hops are scheduled opportunistically based on the channel state information and as a prerequisite we assume that the relay, which is half-duplex and operates using decode-and-forward, is capable of storing the received packets from the source until the channel condition of the destined user becomes good to be scheduled. We formulate the joint scheduling problem as maximizing the weighted sum of the long term achievable rates by the users under a stability constraint, which means that on the long term the rate received by the relay should equal the rate transmitted by it, in addition to constant or variable power constraints. We show that this problem is equivalent to a single-hop broadcast channel by treating the source as a virtual user with an optimal priority weight that maintains the stability constraint. We show how to obtain the source weight either off-line based on channel statistics or on real-time based on channel measurements. Furthermore, we consider special cases including the maximum sum rate scheduler and the proportional fair scheduler. We demonstrate via numerical results that our proposed joint scheduling scheme enlarges the rate region as compared with a scheme that employs multi-user scheduling alone.

  2. Total K-vacancy production in Ne (10 MeV) traversing Al

    International Nuclear Information System (INIS)

    Groeneveld, K.O.; Kolb, B.; Schader, J.; Sevier, K.D.

    1976-01-01

    Deexcitation of projectile inner shell vacancies created while traversing a solid foil may take place via competing processes: a) vacancy sharing with foil atoms in close impacts, b) radiative and non-radiative electron capture, and c) such X-ray and Auger electron transitions are possible in the heavy ion projectile. The change in K-vacancy creation with foil thickness can be investigated by measuring either projectile or target X-rays where the vacancies are created by Coulomb excitation and process a. In the system Ne (10 MeV) on Al, detecting Al K X-rays, the Ne K-vacancy production probability has been determined. (orig.) [de

  3. Evaluation of airborne methyl salicylate for improved conservation biological control of two-spotted spider mite and hop aphid in Oregon hop yards.

    Science.gov (United States)

    Woods, J L; James, D G; Lee, J C; Gent, D H

    2011-12-01

    The use of synthetic herbivore-induced plant volatiles (HIPV) to attract natural enemies has received interest as a tool to enhance conservation biological control (CBC). Methyl salicylate (MeSA) is a HIPV that is attractive to several key predators of two-spotted spider mite, Tetranychus urticae Koch (Acari: Tetranychidae), and hop aphid, Phorodon humuli (Schrank) (Homoptera: Aphididae). A 2-year study was conducted to evaluate the recommended commercial use of MeSA in hop yards in Oregon. Slow-release MeSA dispensers were stapled to supporting poles in 0.5 ha plots and these plots were compared to a paired non-treated plot on each of three farms in 2008 and 2009. Across both years, there was a trend for reduced (range 40-91%) mean seasonal numbers of T. urticae in five of the six MeSA-baited plots. Stethorus spp., key spider mite predators, tended to be more numerous in MeSA-baited plots compared to control plots on a given farm. Mean seasonal densities of hop aphid and other natural enemies (e.g., Orius spp. and Anystis spp.) were similar between MeSA-treated and control plots. Variability among farms in suppression of two-spotted spider mites and attraction of Stethorus spp. suggests that the use of MeSA to enhance CBC of spider mites in commercial hop yards may be influenced by site-specific factors related to the agroecology of individual farms or seasonal effects that require further investigation. The current study also suggests that CBC of hop aphid with MeSA in this environment may be unsatisfactory.

  4. Effects of recoil-implanted oxygen on depth profiles of defects and annealing processes in P{sup +}-implanted Si studied using monoenergetic positron beams

    Energy Technology Data Exchange (ETDEWEB)

    Uedono, Akira; Moriya, Tsuyoshi; Tanigawa, Shoichiro [Tsukuba Univ., Ibaraki (Japan). Inst. of Materials Science; Kitano, Tomohisa; Watanabe, Masahito; Kawano, Takao; Suzuki, Ryoichi; Ohdaira, Toshiyuki; Mikado, Tomohisa

    1996-04-01

    Effects of oxygen atoms recoiled from SiO{sub 2} films on depth profiles of defects and annealing processes in P{sup +}-implanted Si were studied using monoenergetic positron beams. For an epitaxial Si specimen, the depth profile of defects was found to be shifted toward the surface by recoil implantation of oxygen atoms. This was attributed to the formation of vacancy-oxygen complexes and a resultant decrease in the diffusion length of vacancy-type defects. The recoiled oxygen atoms stabilized amorphous regions introduced by P{sup +}-implantation, and the annealing of these regions was observed after rapid thermal annealing (RTA) at 700degC. For a Czochralski-grown Si specimen fabricated by through-oxide implantation, the recoiled oxygen atoms introduced interstitial-type defects upon RTA below the SiO{sub 2}/Si interface, and such defects were dissociated by annealing at 1000degC. (author)

  5. Linking the mechanics and energetics of hopping with elastic ankle exoskeletons.

    Science.gov (United States)

    Farris, Dominic James; Sawicki, Gregory S

    2012-12-15

    The springlike mechanics of the human leg during bouncing gaits has inspired the design of passive assistive devices that use springs to aid locomotion. The purpose of this study was to test whether a passive spring-loaded ankle exoskeleton could reduce the mechanical and energetic demands of bilateral hopping on the musculoskeletal system. Joint level kinematics and kinetics were collected with electromyographic and metabolic energy consumption data for seven participants hopping at four frequencies (2.2, 2.5, 2.8, and 3.2 Hz). Hopping was performed without an exoskeleton; with an springless exoskeleton; and with a spring-loaded exoskeleton. Spring-loaded ankle exoskeletons reduced plantar flexor muscle activity and the biological contribution to ankle joint moment (15-25%) and average positive power (20-40%). They also facilitated reductions in metabolic power (15-20%) across frequencies from 2.2 to 2.8 Hz compared with hopping with a springless exoskeleton. Reductions in metabolic power compared with hopping with no exoskeleton were restricted to hopping at 2.5 Hz only (12%). These results highlighted the importance of reducing the rate of muscular force production and work to achieve metabolic reductions. They also highlighted the importance of assisting muscles acting at the knee joint. Exoskeleton designs may need to be tuned to optimize exoskeleton mass, spring stiffness, and spring slack length to achieve greater metabolic reductions.

  6. Reconstruction of mono-vacancies in carbon nanotubes: Atomic relaxation vs. spin polarization

    Energy Technology Data Exchange (ETDEWEB)

    Berber, S. [Institute of Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba 305-8571 (Japan)]. E-mail: berber@comas.frsc.tsukuba.ac.jp; Oshiyama, A. [Institute of Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba 305-8571 (Japan)

    2006-04-01

    We have investigated the reconstruction of mono-vacancies in carbon nanotubes using density functional theory (DFT) geometry optimization and electronic structure calculations, employing a numerical basis set. We considered mono-vacancies in achiral nanotubes with diameter range {approx}4-9A. Contrary to previous tight-binding calculations, our results indicate that mono-vacancies could have several metastable geometries, confirming the previous plane-wave DFT results. Formation energy of mono-vacancies is 4.5-5.5eV, increasing with increasing tube diameter. Net magnetic moment decreases from ideal mono-vacancy value after reconstruction, reflecting the reduction of the number of dangling bonds. In spite of the existence of a dangling bond, ground state of mono-vacancies in semiconducting tubes have no spin polarization. Metallic carbon nanotubes show net magnetic moment for most stable structure of mono-vacancy, except for very small diameter tubes.

  7. Reconstruction of mono-vacancies in carbon nanotubes: Atomic relaxation vs. spin polarization

    International Nuclear Information System (INIS)

    Berber, S.; Oshiyama, A.

    2006-01-01

    We have investigated the reconstruction of mono-vacancies in carbon nanotubes using density functional theory (DFT) geometry optimization and electronic structure calculations, employing a numerical basis set. We considered mono-vacancies in achiral nanotubes with diameter range ∼4-9A. Contrary to previous tight-binding calculations, our results indicate that mono-vacancies could have several metastable geometries, confirming the previous plane-wave DFT results. Formation energy of mono-vacancies is 4.5-5.5eV, increasing with increasing tube diameter. Net magnetic moment decreases from ideal mono-vacancy value after reconstruction, reflecting the reduction of the number of dangling bonds. In spite of the existence of a dangling bond, ground state of mono-vacancies in semiconducting tubes have no spin polarization. Metallic carbon nanotubes show net magnetic moment for most stable structure of mono-vacancy, except for very small diameter tubes

  8. Behind Beats and Rhymes: Working Class from a Hampton Roads Hip Hop Homeplace

    Science.gov (United States)

    Durham, Aisha S.

    2009-01-01

    The film documentary titled "Hip Hop: beyond beats and rhymes" captures ongoing conversations among scholars, cultural critics, and hip hop insiders about the state of African Americans by interrogating distinct expressive forms associated with hip hop culture. Durham draws from two scenes to describe her memories as the researched…

  9. Wish to Live: The Hip-Hop Feminism Pedagogy Reader. Educational Psychology. Volume 3

    Science.gov (United States)

    Brown, Ruth Nicole, Ed.; Kwakye, Chamara Jewel, Ed.

    2012-01-01

    "Wish To Live: The Hip-hop Feminism Pedagogy Reader" moves beyond the traditional understanding of the four elements of hip-hop culture--rapping, breakdancing, graffiti art, and deejaying--to articulate how hip-hop feminist scholarship can inform educational practices and spark, transform, encourage, and sustain local and global youth…

  10. Electronic structure and formation energy of a vacancy in aluminum

    International Nuclear Information System (INIS)

    Chakraborty, B.; Siegel, R.W.

    1981-11-01

    The electronic structure of a vacancy in Al was calculated self-consistently using norm-conserving ionic pseudopotentials obtained from ab initio atomic calculations. A 27-atom-site supercell containing 1 vacancy and 26 atoms was used to simulate the environment of the vacancy. A vacancy formation energy of 1.5 eV was also calculated (cf. the experimental value of 0.66 eV). The effects of the supercell and the nature of the ionic potential on the resulting electronic structure and formation energy are discussed. Results for the electronic structure of a divacancy are also presented. 3 figures

  11. Deficient by oxygen perovskites and superconductor with transition temperature 93 K

    International Nuclear Information System (INIS)

    Ross, N.L.; Angel, R.J.; Finger, L.W.; Hazen, R.M.; Prewitt, K.T.

    1988-01-01

    Structural changes in some perovskites deficient by oxygen is reviewd. The structure of the high-temperature YBa 2 Cu 3 O 7-x superconductor is shown to develop usual for perovskites properties and at the same time to possess specific features. The specific feature includes the fact that ordering of vacancies and oxygen atoms is the consequence of Ba 2+ and Y 3+ ordering in positions A. Such ordering causes the removal of oxygen atoms plane from the structure and accurrence of pyramidal-coordinated atoms Cu2 in positions B. 22 refs.; 3 figs.; 2 tabs

  12. Fluorination of an epitaxial YBaCuO thin film with controlled oxygen vacancies

    Energy Technology Data Exchange (ETDEWEB)

    Perrin, C. (Lab. de Chimie du Solide et Inorganique Moleculaire, Univ. de Rennes 1, 35 (France)); Pena, O. (Lab. de Chimie du Solide et Inorganique Moleculaire, Univ. de Rennes 1, 35 (France)); Mokhtari, M. (Lab. de Chimie du Solide et Inorganique Moleculaire, Univ. de Rennes 1, 35 (France)); Thivet, C. (Lab. de Chimie du Solide et Inorganique Moleculaire, Univ. de Rennes 1, 35 (France)); Guilloux-Viry, M. (Lab. de Chimie du Solide et Inorganique Moleculaire, Univ. de Rennes 1, 35 (France)); Perrin, A. (Lab. de Chimie du Solide et Inorganique Moleculaire, Univ. de Rennes 1, 35 (France)); Sergent, M. (Lab. de Chimie du Solide et Inorganique Moleculaire, Univ. de Rennes 1, 35 (France))

    1993-05-10

    An intentionally oxygen-deficient thin film, epitaxially grown in-situ on a (100) MgO substrate by laser ablation at 750 C under a low pressure oxygen atmosphere, has been treated under NF[sub 3] diluted in N[sub 2] at temperatures not exceeding 280 C. During the fluorination process the epitaxy of the thin film is maintained; its Tc onset progressively increases from 54 K up to 85.6 K and the width of the inductive transition is narrow at the end of treatment (1.2 K). These results are discussed and compared to those obtained during the fluorination of oxygen-deficient YBa[sub 2]Cu[sub 3]O[sub x] ceramics. (orig.)

  13. Physical model of evolution of oxygen subsystem of PLZT-ceramics at neutron irradiation and annealing

    CERN Document Server

    Kulikov, D V; Trushin, Y V; Veber, K V; Khumer, K; Bitner, R; Shternberg, A R

    2001-01-01

    The physical model of evolution of the oxygen subsystem defects of the ferroelectric PLZT-ceramics by the neutron irradiation and isochrone annealing is proposed. The model accounts for the effect the lanthanum content on the material properties. The changes in the oxygen vacancies concentration, calculated by the proposed model, agree well with the polarization experimental behavior by the irradiated material annealing

  14. Enhanced magnetoresistance induced by oxygen deficiency in La0.4Ca0.6MnO3-δ oxides

    International Nuclear Information System (INIS)

    Triki, M.; Dhahri, E.; Hlil, E. K.; Garden, J. L.

    2014-01-01

    We report electrical features and magnetoresistance behavior of the oxygen deficient La 0.4 Ca 0.6 MnO 3-δ perovskites (δ = 0, 0.15, and 0.2). These samples will be referred to as S0, S15, and S20, respectively. The dependence of electrical transport on temperature and magnetic field is systematically investigated between 2 K and 400 K in magnetic field ranging up to 5 T. The parent compound shows a stable charge ordering/antiferromagnetic state with a semiconductor-like behavior in all considered temperature range. The variable range hopping and thermally activated hopping models are found to fit well with the electrical resistivity data at low and high temperatures, respectively. Oxygen deficiency tends to weaken the charge ordering and induce ferromagnetism and metallicity at low temperature. Metal insulator transition appears at higher fields for lower oxygen deficit (S15 sample) and without field for the S20 sample. The resistivity data for S15 sample are discussed in the framework of the variable-range hopping model. Abnormal transport properties were observed in the S20 sample, characterized by the double metal-insulator transitions and low minimum behavior. These results are discussed in terms of phenomenological percolation model, based on the phase segregation of ferromagnetic metallic clusters and paramagnetic insulating regions. While the parent compound shows no magnetoresistance, a large magnetoresistance is observed in the deficient samples at low temperature reaching 90% and 75% at 2 T for S15 and S20 samples, respectively. Noticeably, these values reached 98% and 91% at 5 T. The appearance of colossal magnetoresistance is attributed to the spin dependent hopping between spin clusters and/or ferromagnetic domains

  15. Oxygen microclusters in Czochralski-grown Si probed by positron annihilation

    Energy Technology Data Exchange (ETDEWEB)

    Uedono, Akira; Wei Long; Tanigawa, Shoichiro [Tsukuba Univ., Ibaraki (Japan). Inst. of Materials Science; Kawano, Takao; Ikari, Atsushi; Kawakami, Kazuto; Itoh, Hisayoshi

    1994-08-01

    Trapping of positrons by oxygen microclusters in Czochralski-grown Si was studied. Lifetime spectra of positrons were measured for Si specimens annealed in the temperature range between 450degC and 1000degC. Positrons were found to be trapped by oxygen microclusters, and the trapping rate of positrons into such defects increased with increasing annealing temperature. In order to investigate the clustering behaviors of oxygen atoms in more derail, vacancy-oxygen complexes, V{sub n}O{sub m} (n,m=1,2, {center_dot}{center_dot}{center_dot}), were introduced by 3MeV electron irradiation. The concentration of monovacancy-oxygen complexes VO{sub m}(m=2,3, {center_dot}{center_dot}{center_dot}) increased with increasing annealing temperature. These facts were attributed that the oxygen microclusters, O{sub m}, were introduced by annealing above 700degC. (author).

  16. Observation of Zn vacancies in ZnO grown by chemical vapor transport

    Energy Technology Data Exchange (ETDEWEB)

    Tuomisto, F.; Saarinen, K. [Laboratory of Physics, Helsinki University of Technology, P.O. Box 1100, 02015 TKK (Finland); Grasza, K.; Mycielski, A. [Institute of Physics, Polish Academy of Sciences, Lotnikow 32/46, 02-668 Warsaw (Poland)

    2006-03-15

    We have used positron annihilation spectroscopy to study the vacancy defects in ZnO crystals grown by both the conventional and contactless chemical vapor transport (CVT and CCVT). Our results show that Zn vacancies or Zn vacancy related defects are present in as-grown ZnO, irrespective of the growth method. Zn vacancies are observed in CVT-grown undoped ZnO and (Zn,Mn)O. The Zn vacancies present in undoped CCVT-ZnO are the dominant negatively charged point defect in the material. Doping the material with As introduces also Zn vacancy-related defect complexes with larger open volume. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  17. Vacancies and negative ions in GaAs

    International Nuclear Information System (INIS)

    Corbel, C.

    1991-01-01

    We use positron lifetime studies performed in GaAs materials to show the defect properties which can be investigated by implanting positive positrons in semiconductors. The studies concern native and electron irradiation induced defects. These studies show that vacancy charge state and vacancy ionization levels can be determined from positron annihilation. They show also that positrons are trapped by negative ions and give information on their concentration

  18. Vacancies in quantal Wigner crystals near melting

    International Nuclear Information System (INIS)

    Barraza, N.; Colletti, L.; Tosi, M.P.

    1999-04-01

    We estimate the formation energy of lattice vacancies in quantal Wigner crystals of charged particles near their melting point at zero temperature, in terms of the crystalline Lindemann parameter and of the static dielectric function of the fluid phase near freezing. For both 3D and 2D crystals of electrons our results suggest the presence of vacancies in the ground state at the melting density. (author)

  19. Sensor-Motor Maps for Describing Linear Reflex Composition in Hopping

    Directory of Open Access Journals (Sweden)

    Christian Schumacher

    2017-11-01

    Full Text Available In human and animal motor control several sensory organs contribute to a network of sensory pathways modulating the motion depending on the task and the phase of execution to generate daily motor tasks such as locomotion. To better understand the individual and joint contribution of reflex pathways in locomotor tasks, we developed a neuromuscular model that describes hopping movements. In this model, we consider the influence of proprioceptive length (LFB, velocity (VFB and force feedback (FFB pathways of a leg extensor muscle on hopping stability, performance and efficiency (metabolic effort. Therefore, we explore the space describing the blending of the monosynaptic reflex pathway gains. We call this reflex parameter space a sensor-motor map. The sensor-motor maps are used to visualize the functional contribution of sensory pathways in multisensory integration. We further evaluate the robustness of these sensor-motor maps to changes in tendon elasticity, body mass, segment length and ground compliance. The model predicted that different reflex pathway compositions selectively optimize specific hopping characteristics (e.g., performance and efficiency. Both FFB and LFB were pathways that enable hopping. FFB resulted in the largest hopping heights, LFB enhanced hopping efficiency and VFB had the ability to disable hopping. For the tested case, the topology of the sensor-motor maps as well as the location of functionally optimal compositions were invariant to changes in system designs (tendon elasticity, body mass, segment length or environmental parameters (ground compliance. Our results indicate that different feedback pathway compositions may serve different functional roles. The topology of the sensor-motor map was predicted to be robust against changes in the mechanical system design indicating that the reflex system can use different morphological designs, which does not apply for most robotic systems (for which the control often follows a

  20. Sensor-Motor Maps for Describing Linear Reflex Composition in Hopping.

    Science.gov (United States)

    Schumacher, Christian; Seyfarth, André

    2017-01-01

    In human and animal motor control several sensory organs contribute to a network of sensory pathways modulating the motion depending on the task and the phase of execution to generate daily motor tasks such as locomotion. To better understand the individual and joint contribution of reflex pathways in locomotor tasks, we developed a neuromuscular model that describes hopping movements. In this model, we consider the influence of proprioceptive length (LFB), velocity (VFB) and force feedback (FFB) pathways of a leg extensor muscle on hopping stability, performance and efficiency (metabolic effort). Therefore, we explore the space describing the blending of the monosynaptic reflex pathway gains. We call this reflex parameter space a sensor-motor map . The sensor-motor maps are used to visualize the functional contribution of sensory pathways in multisensory integration. We further evaluate the robustness of these sensor-motor maps to changes in tendon elasticity, body mass, segment length and ground compliance. The model predicted that different reflex pathway compositions selectively optimize specific hopping characteristics (e.g., performance and efficiency). Both FFB and LFB were pathways that enable hopping. FFB resulted in the largest hopping heights, LFB enhanced hopping efficiency and VFB had the ability to disable hopping. For the tested case, the topology of the sensor-motor maps as well as the location of functionally optimal compositions were invariant to changes in system designs (tendon elasticity, body mass, segment length) or environmental parameters (ground compliance). Our results indicate that different feedback pathway compositions may serve different functional roles. The topology of the sensor-motor map was predicted to be robust against changes in the mechanical system design indicating that the reflex system can use different morphological designs, which does not apply for most robotic systems (for which the control often follows a specific

  1. Effect of defects on the small polaron formation and transport properties of hematite from first-principles calculations.

    Science.gov (United States)

    Smart, Tyler J; Ping, Yuan

    2017-10-04

    Hematite (α-Fe 2 O 3 ) is a promising candidate as a photoanode material for solar-to-fuel conversion due to its favorable band gap for visible light absorption, its stability in an aqueous environment and its relatively low cost in comparison to other prospective materials. However, the small polaron transport nature in α-Fe 2 O 3 results in low carrier mobility and conductivity, significantly lowering its efficiency from the theoretical limit. Experimentally, it has been found that the incorporation of oxygen vacancies and other dopants, such as Sn, into the material appreciably enhances its photo-to-current efficiency. Yet no quantitative explanation has been provided to understand the role of oxygen vacancy or Sn-doping in hematite. We employed density functional theory to probe the small polaron formation in oxygen deficient hematite, N-doped as well as Sn-doped hematite. We computed the charged defect formation energies, the small polaron formation energy and hopping activation energies to understand the effect of defects on carrier concentration and mobility. This work provides us with a fundamental understanding regarding the role of defects on small polaron formation and transport properties in hematite, offering key insights into the design of new dopants to further improve the efficiency of transition metal oxides for solar-to-fuel conversion.

  2. The Effect of Rap/Hip-Hop Music on Young Adult Smoking: An Experimental Study.

    Science.gov (United States)

    Harakeh, Zeena; Bogt, Tom F M Ter

    2018-02-16

    Music may influence young people's behavior through its lyrics. Substance use references occur more frequently in rap/hip-hop than in other music genres. The aim was to examine whether the exposure to rap/hip-hop lyrics referring to substance use affected cigarette smoking. An experiment with a 3-group between subject design was conducted among 74 daily-smoking young adults ranging in age from 17 to 25 years old. Three conditions were tested in a mobile lab (camper vehicle) from May to December 2011, i.e., regular chart pop music (N = 28), rap/hip-hop with non-frequent references to substance use (N = 24), and rap/hip-hop with frequent references to substance use (N = 22). One-way ANOVA showed that participants listening to substance use infused rap/hip-hop songs felt significantly less pleasant, liked the songs less, and comprehended the songs less compared to participants listening to pop songs. Poisson loglinear analyses revealed that compared to the pop music condition, none of the two rap/hip-hop music conditions had a significant effect on acute smoking. Thus, contrary to expectations, the two different rap/hip-hop conditions did not have a significantly different effect on acute smoking. Listening to rap/hip-hop, even rap hip/hop with frequent referrals to substance use (primarily alcohol and drug use, and general smoking referrals), does not seem to encourage cigarette smoking among Dutch daily-smoking young adults, at least short term.

  3. Surface Reduced CeO2 Nanowires for Direct Conversion of CO2 and Methanol to Dimethyl Carbonate: Catalytic Performance and Role of Oxygen Vacancy

    Directory of Open Access Journals (Sweden)

    Zhongwei Fu

    2018-04-01

    Full Text Available Ultralong 1D CeO2 nanowires were synthesized via an advanced solvothermal method, surface reduced under H2 atmosphere, and first applied in direct synthesis of dimethyl carbonate (DMC from CO2 and CH3OH. The micro morphologies, physical parameters of nanowires were fully investigated by transmission electron microscopy (TEM, X-ray diffraction (XRD, N2 adsorption, X-ray photoelectron spectrum (XPS, and temperature-programmed desorption of ammonia/carbon dioxide (NH3-TPD/CO2-TPD. The effects of surface oxygen vacancy and acidic/alkaline sites on the catalytic activity was explored. After reduction, the acidic/alkaline sites of CeO2 nanowires can be dramatically improved and evidently raised the catalytic performance. CeO2 nanowires reduced at 500 °C (CeO2_NW_500 exhibited notably superior activity with DMC yield of 16.85 mmol gcat−1. Furthermore, kinetic insights of initial rate were carried out and the apparent activation energy barrier of CeO2_NW_500 catalyst was found to be 41.9 kJ/mol, much tiny than that of CeO2_NW catalyst (74.7 KJ/mol.

  4. Range and energetics of charge hopping in organic semiconductors

    Science.gov (United States)

    Abdalla, Hassan; Zuo, Guangzheng; Kemerink, Martijn

    2017-12-01

    The recent upswing in attention for the thermoelectric properties of organic semiconductors (OSCs) adds urgency to the need for a quantitative description of the range and energetics of hopping transport in organic semiconductors under relevant circumstances, i.e., around room temperature (RT). In particular, the degree to which hops beyond the nearest neighbor must be accounted for at RT is still largely unknown. Here, measurements of charge and energy transport in doped OSCs are combined with analytical modeling to reach the univocal conclusion that variable-range hopping is the proper description in a large class of disordered OSC at RT. To obtain quantitative agreement with experiment, one needs to account for the modification of the density of states by ionized dopants. These Coulomb interactions give rise to a deep tail of trap states that is independent of the material's initial energetic disorder. Insertion of this effect into a classical Mott-type variable-range hopping model allows one to give a quantitative description of temperature-dependent conductivity and thermopower measurements on a wide range of disordered OSCs. In particular, the model explains the commonly observed quasiuniversal power-law relation between the Seebeck coefficient and the conductivity.

  5. Oxygen Evolution at Hematite Surfaces: The Impact of Structure and Oxygen Vacancies on Lowering the Overpotential

    NARCIS (Netherlands)

    Zhang, X.; Klaver, P.; van Santen, R.; van de Sanden, M. C. M.; Bieberle, A.

    2016-01-01

    Simulations of the oxygen evolution reaction (OER) are essential for understanding the limitations of water splitting. Most research has focused so far on the OER at flat metal oxide surfaces. The structure sensitivity of the OER has, however, recently been highlighted as a promising research

  6. Uudised : Ooper. Hip-hop. Madonna

    Index Scriptorium Estoniae

    2005-01-01

    Rumeenia sopran Nelly Miricioiu Vincenzo Bellini ooperi "Norma" nimiosas Nederlandse Operas Amsaterdamis 7.-28. märtsini. 4. märtsil Tallinna klubis Hollywood üritusel "Hip-Hop Café" New Yorgi duo Camp Lo. Ameerika poplaulja Madonna võttis vastu filmirolli

  7. Teaching Controversal Topics in Contemporary German Culture through Hip-Hop

    Science.gov (United States)

    Putnam, Michael

    2006-01-01

    This article discusses the rich cultural resources embedded with German hip-hop music and its potential impact on the foreign language classroom. In particular, this article suggests methods and materials for integrating German hip-hop music in the discussion of recent controversial cultural events and attitudes in German after the "Wende."

  8. Membrane-bound ATPase contributes to hop resistance of Lactobacillus brevis

    NARCIS (Netherlands)

    Sakamoto, K; van Veen, HW; Saito, H; Kobayashi, H; Konings, WN

    2002-01-01

    The activity of the membrane-bound H+-ATPase of the beer spoilage bacterium Lactobacillus brevis ABBC45 increased upon adaptation to bacteriostatic hop compounds. The ATPase activity was optimal around pH 5.6 and increased up to fourfold when L. brevis was exposed to 666 muM hop compounds. The

  9. Within-field distribution of the damson-hop aphid Phorodon humuli (Schrank) (Hemiptera: Aphididae) and natural enemies on hops in Spain

    Energy Technology Data Exchange (ETDEWEB)

    Lorenzana, A.; Hermoso de Mendoza, A.; Seco, V.; Campelo, P.; Casquero, P.A.

    2017-07-01

    A field trial was performed in a hop yard throughout 2002, 2003 and 2004 in order to determine the within-field distribution of Phorodon humuli (Schrank) (Hemiptera: Aphididae) and its natural enemies. The distribution of P. humuli was directly affected by the position of the hop plants in the garden, with significantly higher concentrations of aphids (p=0.0122 in 2002 and p=0.0006 in 2003) observed along the edge. However, in 2004 the plants located on the marginal plots had similar populations to those on the more inner plots. This can be explained by a higher wind speed which made it more difficult to land on edge plants first. The hop aphid’s main natural enemy was Coccinella septempunctata (Coleoptera: Coccinellidae), whose population was greatest where the aphids were most abundant with a significantly greater number of eggs (p=0.0230) and adults (p=0.0245) in 2003. Lacewing eggs were also frequently observed, with a significantly higher population (p=0.0221 in 2003 and p=0.0046 in 2004) where the aphid numbers were high. The number of winged aphids was greatest towards the margins of the garden in 2003. It is argued that the spatial distribution of the hop aphid and its natural enemies could be used to plan a sampling program and to estimate the population densities of these insects for use in integrated pest management programs.

  10. Within-field distribution of the damson-hop aphid Phorodon humuli (Schrank) (Hemiptera: Aphididae) and natural enemies on hops in Spain

    International Nuclear Information System (INIS)

    Lorenzana, A.; Hermoso de Mendoza, A.; Seco, V.; Campelo, P.; Casquero, P.A.

    2017-01-01

    A field trial was performed in a hop yard throughout 2002, 2003 and 2004 in order to determine the within-field distribution of Phorodon humuli (Schrank) (Hemiptera: Aphididae) and its natural enemies. The distribution of P. humuli was directly affected by the position of the hop plants in the garden, with significantly higher concentrations of aphids (p=0.0122 in 2002 and p=0.0006 in 2003) observed along the edge. However, in 2004 the plants located on the marginal plots had similar populations to those on the more inner plots. This can be explained by a higher wind speed which made it more difficult to land on edge plants first. The hop aphid’s main natural enemy was Coccinella septempunctata (Coleoptera: Coccinellidae), whose population was greatest where the aphids were most abundant with a significantly greater number of eggs (p=0.0230) and adults (p=0.0245) in 2003. Lacewing eggs were also frequently observed, with a significantly higher population (p=0.0221 in 2003 and p=0.0046 in 2004) where the aphid numbers were high. The number of winged aphids was greatest towards the margins of the garden in 2003. It is argued that the spatial distribution of the hop aphid and its natural enemies could be used to plan a sampling program and to estimate the population densities of these insects for use in integrated pest management programs.

  11. Research on Improved DV-HOP Algorithm against Wormhole Attacks in WSN

    Directory of Open Access Journals (Sweden)

    Wang Xue-Wen

    2016-01-01

    Full Text Available The secure location of node is significant in the WSN (Wireless Sensor Networks of the troop frontier defence system. The wormhole attack is a big threat in the secure location. The credibility of the beacon node was used to determine the malicious nodes produced by wormhole attack in the WSN. The estimated method of multibeacon nodes was adopted to improve DV-HOP algorithm after excluding the malicious nodes. In this paper, we compared the basic DV-HOP algorithm and the improved DV-HOP algorithm in the coverage percentage and the error of network localization by simulating. The simulation results indicate that the improved DV-HOP algorithm makes the localization coverage percentage can reach 90% on a certain scale of the network, and it makes the error percentage lower when the number of beacons is different.

  12. Role of Hf4+ Doping on Oxygen Grain Boundary Diffusion in Alumina

    Science.gov (United States)

    2014-09-01

    hours at 45MPa. The samples were then cut into small cubes with 1mm length and polished up to O.OS|j,m colloidal silica . The samples were then annealed...However, YSZ is transparent to oxygen diffusion due to its high oxygen vacancies and oxidation from xmderlying superalloys resulted in fast growing Ni...immersing in reagent grade trichloroethylene (Fisher Chemical, Fairlawn, NJ) for 1 hour. 3. The used trichloroethylene should be poured iuto glass bottle

  13. Affiliation and Alienation: Hip-Hop, Rap, and Urban Science Education

    Science.gov (United States)

    Emdin, Christopher

    2010-01-01

    The critiques of rap artists and other participants in hip-hop culture provide data for teachers and researchers to investigate the attitudes of US urban youth towards schooling. This study explores the complex relationships between hip-hop and science education by examining how rap lyrics project beliefs about schooling, the relevance of existing…

  14. Density functional study the interaction of oxygen molecule with defect sites of graphene

    Energy Technology Data Exchange (ETDEWEB)

    Qi Xuejun [State Key Laboratory of Coal Combustion, Wuhan 430074 (China); Guo Xin, E-mail: guoxin@mail.hust.edu.cn [State Key Laboratory of Coal Combustion, Wuhan 430074 (China); Zheng Chuguang [State Key Laboratory of Coal Combustion, Wuhan 430074 (China)

    2012-10-15

    Highlights: Black-Right-Pointing-Pointer The defect sites existed on the graphite surface create active sites and enhance the reactivity of carbonaceous material. Black-Right-Pointing-Pointer Oxygen molecule more favor chemisorbed on the graphene surface contains defect sites than the perfect surface. Black-Right-Pointing-Pointer The single active oxygen atom adsorbed on the defect surfaces, it completely insert into the surface. - Abstract: The present article reports a theoretical study of oxygen interacted with graphene surface containing defect sites on the atomic level by employing the density functional theory combined with the graphene cluster model. It was founded that oxygen molecule prefers to be chemisorbed on the graphene surface containing defect sites compared to the perfect surface. The adsorption energy of O{sub 2} on the double defect site is about 2.5 times as large as that on the perfect graphene surface. Moreover, the oxygen molecule interacts with S-W defect site gives rise to stable epoxy structure, which pulling the carbon atom outward from the original site in the direction perpendicular to the surface. If the oxygen molecule is adsorbed on the single vacancy site, two C-O bonds are formed on the graphene surface. However, when the oxygen molecule is chemisorbed on the double vacancy site, the oxygen atoms substitute the missing carbon atom's position in the carbon plane and form a hexagonal structure on the graphene network. The results indicate that single active oxygen atom approaches the defect site, it's completely adsorbed in the plane and high energy is released. In all cases, the interaction of an oxygen atom with defect surface involves an exothermic process. The defect site creates active sites on the surface of graphene and produces catalytic effects during the process of oxidation of carbonaceous materials.

  15. RNAi knockdown of Hop (Hsp70/Hsp90 organising protein) decreases invasion via MMP-2 down regulation.

    LENUS (Irish Health Repository)

    Walsh, Naomi

    2011-07-28

    We previously identified Hop as over expressed in invasive pancreatic cancer cell lines and malignant tissues of pancreatic cancer patients, suggesting an important role for Hop in the biology of invasive pancreatic cancer. Hop is a co-chaperone protein that binds to both Hsp70\\/Hsp90. We hypothesised that by targeting Hop, signalling pathways modulating invasion and client protein stabilisation involving Hsp90-dependent complexes may be altered. In this study, we show that Hop knockdown by small interfering (si)RNA reduces the invasion of pancreatic cancer cells, resulting in decreased expression of the downstream target gene, matrix metalloproteinases-2 (MMP-2). Hop in conditioned media co-immunoprecipitates with MMP-2, implicating a possible extracellular function for Hop. Knockdown of Hop expression also reduced expression levels of Hsp90 client proteins, HER2, Bcr-Abl, c-MET and v-Src. Furthermore, Hop is strongly expressed in high grade PanINs compared to lower PanIN grades, displaying differential localisation in invasive ductal pancreatic cancer, indicating that the localisation of Hop is an important factor in pancreatic tumours. Our data suggests that the attenuation of Hop expression inactivates key signal transduction proteins which may decrease the invasiveness of pancreatic cancer cells possibly through the modulation of Hsp90 activity. Therefore, targeting Hop in pancreatic cancer may constitute a viable strategy for targeted cancer therapy.

  16. Post-Menopausal Vaginal Hemorrhage Related to the Use of a Hop-Containing Phytotherapeutic Product

    NARCIS (Netherlands)

    van Hunsel, Florence; van de Koppel, Sonja; van Puijenbroek, Eugène

    2015-01-01

    Two 54-year-old women developed abdominal cramps and vaginal hemorrhage as a result of endometrial hyperplasia during treatment with a hop-containing phytotherapeutic product (MenoCool®) for post-menopausal complaints. The women used the hop-containing phytotherapeutic product (418 mg of hop per

  17. Two Hop Adaptive Vector Based Quality Forwarding for Void Hole Avoidance in Underwater WSNs.

    Science.gov (United States)

    Javaid, Nadeem; Ahmed, Farwa; Wadud, Zahid; Alrajeh, Nabil; Alabed, Mohamad Souheil; Ilahi, Manzoor

    2017-08-01

    Underwater wireless sensor networks (UWSNs) facilitate a wide range of aquatic applications in various domains. However, the harsh underwater environment poses challenges like low bandwidth, long propagation delay, high bit error rate, high deployment cost, irregular topological structure, etc. Node mobility and the uneven distribution of sensor nodes create void holes in UWSNs. Void hole creation has become a critical issue in UWSNs, as it severely affects the network performance. Avoiding void hole creation benefits better coverage over an area, less energy consumption in the network and high throughput. For this purpose, minimization of void hole probability particularly in local sparse regions is focused on in this paper. The two-hop adaptive hop by hop vector-based forwarding (2hop-AHH-VBF) protocol aims to avoid the void hole with the help of two-hop neighbor node information. The other protocol, quality forwarding adaptive hop by hop vector-based forwarding (QF-AHH-VBF), selects an optimal forwarder based on the composite priority function. QF-AHH-VBF improves network good-put because of optimal forwarder selection. QF-AHH-VBF aims to reduce void hole probability by optimally selecting next hop forwarders. To attain better network performance, mathematical problem formulation based on linear programming is performed. Simulation results show that by opting these mechanisms, significant reduction in end-to-end delay and better throughput are achieved in the network.

  18. Formation of vacancy clusters in tungsten crystals under hydrogen-rich condition

    Energy Technology Data Exchange (ETDEWEB)

    Kato, Daiji, E-mail: kato.daiji@nifs.ac.jp [National Institute for Fusion Science, 322-6 Oroshi-cho, Toki, Gifu 509-5292 (Japan); Iwakiri, Hirotomo, E-mail: iwakiri@edu.u-ryukyu.ac.jp [University of the Ryukyus, Okinawa 903-0213 (Japan); Morishita, Kazunori, E-mail: morishita@iae.kyoto-u.ac.jp [Institute of Advanced Energy, Kyoto University, Kyoto 611-0011 (Japan)

    2011-10-01

    Di-vacancy formation assisted by hydrogen trapping is studied in terms of nucleation free-energies evaluated with density functional theory. Calculations give binding energies for single hydrogen atom as first- and second-nearest-neighbor of di-vacancies of 1.80 and 2.15 eV, respectively, which are significantly larger than that for mono-vacancies. At elevated atomic concentrations of interstitial hydrogen atoms, evaluated nucleation free-energies indicate that the hydrogen assisted di-vacancy formation becomes more favorable. It is suggested that the formation would be preceded by VH cluster formation.

  19. Formation of vacancy clusters in tungsten crystals under hydrogen-rich condition

    International Nuclear Information System (INIS)

    Kato, Daiji; Iwakiri, Hirotomo; Morishita, Kazunori

    2011-01-01

    Di-vacancy formation assisted by hydrogen trapping is studied in terms of nucleation free-energies evaluated with density functional theory. Calculations give binding energies for single hydrogen atom as first- and second-nearest-neighbor of di-vacancies of 1.80 and 2.15 eV, respectively, which are significantly larger than that for mono-vacancies. At elevated atomic concentrations of interstitial hydrogen atoms, evaluated nucleation free-energies indicate that the hydrogen assisted di-vacancy formation becomes more favorable. It is suggested that the formation would be preceded by VH cluster formation.

  20. Hip-Hop Is the Healer: Sense of Belonging and Diversity among Hip-Hop Collegians

    Science.gov (United States)

    Sulé, V. Thandi

    2016-01-01

    Sense of belonging is recognized as a factor contributing to persistence to graduation. Furthermore, interactional diversity is associated with learning and civic outcomes--touted higher education goals. Hip-hop culture, one of the most influential cultural creations of the mid-20th century, has succeeded in attracting devotees from diverse…

  1. Towards a Pedagogy of Hip Hop in Urban Teacher Education

    Science.gov (United States)

    Bridges, Thurman

    2011-01-01

    This article draws from a qualitative study often Black male K-12 teachers from the Hip Hop Generation who are closely connected to Hip Hop culture and have been effective in addressing the academic and social needs of Black boys. Through an analysis of their social, educational and cultural experiences, this article highlights three organizing…

  2. Hip-Hop Pop Art

    Science.gov (United States)

    Talley, Clarence, Sr.

    2011-01-01

    Art has a way of helping students better understand and appreciate the world around them, particularly the things that are most important to them. Hip hop is one of those generational genres that capture the attention of young students like few other things do. Drawing on this genre to get students to create art is an excellent way to demonstrate…

  3. A Stochastic Geometry Model for Multi-hop Highway Vehicular Communication

    KAUST Repository

    Farooq, Muhammad Junaid

    2015-11-19

    Carrier sense multiple access (CSMA) protocol is standardized for vehicular communication to ensure a distributed and efficient communication between vehicles. However, several vehicular applications require efficient multi-hop information dissemination. This paper exploits stochastic geometry to develop a tractable and accurate modeling framework to characterize the multi-hop transmissions for vehicular networks in a multi-lane highway setup. In particular, we study the tradeoffs between per-hop packet forward progress, per-hop transmission success probability, and spatial frequency reuse (SFR) efficiency imposed by different packet forwarding schemes, namely, most forward with fixed radius (MFR), the nearest with forward progress (NFP), and the random with forward progress (RFP). We also define a new performance metric, denoted as the aggregate packet progress (APP), which is a dimensionless quantity that captures the aforementioned tradeoffs. To this end, the developed model reveals the interplay between the spectrum sensing threshold (th) of the CSMA protocol and the packet forwarding scheme. Our results show that, in contrary to ALOHA networks which always favor NFP, MFR may achieve the highest APP in CSMA networks if th is properly chosen.

  4. Risk Assessment Using The Homeland-Defense Operational Planning System (HOPS)

    International Nuclear Information System (INIS)

    Price, D E; Durling, R L

    2005-01-01

    The Homeland-Defense Operational Planning System (HOPS), is a new operational planning tool leveraging Lawrence Livermore National Laboratory's expertise in weapons systems and in sparse information analysis to support the defense of the U.S. homeland. HOPS provides planners with a basis to make decisions to protect against acts of terrorism, focusing on the defense of facilities critical to U.S. infrastructure. Criticality of facilities, structures, and systems is evaluated on a composite matrix of specific projected casualty, economic, and sociopolitical impact bins. Based on these criteria, significant unidentified vulnerabilities are identified and secured. To provide insight into potential successes by malevolent actors, HOPS analysts strive to base their efforts mainly on unclassified open-source data. However, more cooperation is needed between HOPS analysts and facility representatives to provide an advantage to those whose task is to defend these facilities. Evaluated facilities include: refineries, major ports, nuclear power plants and other nuclear licensees, dams, government installations, convention centers, sports stadiums, tourist venues, and public and freight transportation systems. A generalized summary of analyses of U.S. infrastructure facilities will be presented

  5. Beats, Rhymes, and Classroom Life: Hip-Hop Pedagogy and the Politics of Identity

    Science.gov (United States)

    Hill, Marc Lamont

    2009-01-01

    For over a decade, educators have looked to capitalize on the appeal of hip-hop culture, sampling its language, techniques, and styles as a way of reaching out to students. But beyond a fashionable hipness, what does hip-hop have to offer our schools? In this revelatory new book, Marc Lamont Hill shows how a serious engagement with hip-hop culture…

  6. Hip-hop, Onegin - pop! / Tatjana Aleksandrova

    Index Scriptorium Estoniae

    Aleksandrova, Tatjana, 1945-

    2004-01-01

    Erateatrikooli KS, mida juhib Svetlana Krassman, lavastus A. Pushkini poeemi "Jevgeni Onegin" motiividel. Noortelavastuse muusikalises seades kasutatakse klassikalise muusika aranzheeringuid ja räppi, kostüümidraamat koos hip-hop rõivastiiliga

  7. Vacancy defects in electron irradiated RPV steels studied by positron lifetime

    Energy Technology Data Exchange (ETDEWEB)

    Moser, P; Li, X H [CEA Centre d` Etudes de Grenoble, 38 (France). Dept. de Recherche Fondamentale sur la Matiere Condensee; Akamatsu, M; Van Duysen, J C [Electricite de France (EDF), 77 - Ecuelles (France)

    1994-12-31

    Specimens of French RPV (reactor pressure vessels) steels at different rates of segregation have been irradiated at 150 and 288 deg C with 3 MeV electrons (irradiation dose: 4*10{sup 19} e-/cm{sup 2}). Vacancy defects are studied by positron lifetime measurements before and after irradiation and at each step of isochronal annealing. After 150 deg C irradiation, a recovery step is observed in both specimens, for annealing treatments in the range 220-370 deg C and is attributed to the dissociation of vacancy-impurity complexes. The size of vacancy clusters never overcome 10 empty atomic volumes. If ``fresh`` dislocations are created just before irradiation, big vacancy clusters could be formed. After 288 deg C irradiation, small vacancy cluster of 4-10 empty atomic volumes are observed. (authors). 3 figs., 7 refs.

  8. Effect of oxygen incorporation on the structure and elasticity of Ti-Al-O-N coatings synthesized by cathodic arc and high power pulsed magnetron sputtering

    Energy Technology Data Exchange (ETDEWEB)

    Hans, M., E-mail: hans@mch.rwth-aachen.de; Baben, M. to; Music, D.; Ebenhöch, J.; Schneider, J. M. [Materials Chemistry, RWTH Aachen University, Kopernikusstr. 10, D-52074 Aachen (Germany); Primetzhofer, D. [Department of Physics and Astronomy, Uppsala University, Lägerhyddsvägen 1, S-75120 Uppsala (Sweden); Kurapov, D.; Arndt, M.; Rudigier, H. [Oerlikon Balzers Coating AG, Iramali 18, LI-9496 Balzers, Principality of Liechtenstein (Liechtenstein)

    2014-09-07

    Ti-Al-O-N coatings were synthesized by cathodic arc and high power pulsed magnetron sputtering. The chemical composition of the coatings was determined by means of elastic recoil detection analysis and energy dispersive X-ray spectroscopy. The effect of oxygen incorporation on the stress-free lattice parameters and Young's moduli of Ti-Al-O-N coatings was investigated by X-ray diffraction and nanoindentation, respectively. As nitrogen is substituted by oxygen, implications for the charge balance may be expected. A reduction in equilibrium volume with increasing O concentration is identified by X-ray diffraction and density functional theory calculations of Ti-Al-O-N supercells reveal the concomitant formation of metal vacancies. Hence, the oxygen incorporation-induced formation of metal vacancies enables charge balancing. Furthermore, nanoindentation experiments reveal a decrease in elastic modulus with increasing O concentration. Based on ab initio data, two causes can be identified for this: First, the metal vacancy-induced reduction in elasticity; and second, the formation of, compared to the corresponding metal nitride bonds, relatively weak Ti-O and Al-O bonds.

  9. Effect of oxygen incorporation on the structure and elasticity of Ti-Al-O-N coatings synthesized by cathodic arc and high power pulsed magnetron sputtering

    International Nuclear Information System (INIS)

    Hans, M.; Baben, M. to; Music, D.; Ebenhöch, J.; Schneider, J. M.; Primetzhofer, D.; Kurapov, D.; Arndt, M.; Rudigier, H.

    2014-01-01

    Ti-Al-O-N coatings were synthesized by cathodic arc and high power pulsed magnetron sputtering. The chemical composition of the coatings was determined by means of elastic recoil detection analysis and energy dispersive X-ray spectroscopy. The effect of oxygen incorporation on the stress-free lattice parameters and Young's moduli of Ti-Al-O-N coatings was investigated by X-ray diffraction and nanoindentation, respectively. As nitrogen is substituted by oxygen, implications for the charge balance may be expected. A reduction in equilibrium volume with increasing O concentration is identified by X-ray diffraction and density functional theory calculations of Ti-Al-O-N supercells reveal the concomitant formation of metal vacancies. Hence, the oxygen incorporation-induced formation of metal vacancies enables charge balancing. Furthermore, nanoindentation experiments reveal a decrease in elastic modulus with increasing O concentration. Based on ab initio data, two causes can be identified for this: First, the metal vacancy-induced reduction in elasticity; and second, the formation of, compared to the corresponding metal nitride bonds, relatively weak Ti-O and Al-O bonds

  10. Development of aromatic hop compounds and bitterness in beer during room temperature- and cold storage based on three different hopping methods

    OpenAIRE

    Torgals, Ann Elisabeth

    2015-01-01

    The main objective of this study was to determine whether storage temperature or hopping method had influence on the aroma and bitterness in beer. The focus was set on the aroma that comes from hops, and not from yeast. The secondary objective to this study was to explore the development of the alcohol, CO2 and bitterness in the beer after priming and bottling. The thesis’ main perspective is that of home brewers, and to some extent that of microbreweries. Beer was brewed with 100 % pilsn...

  11. Multi-hop localization algorithm based on grid-scanning for wireless sensor networks.

    Science.gov (United States)

    Wan, Jiangwen; Guo, Xiaolei; Yu, Ning; Wu, Yinfeng; Feng, Renjian

    2011-01-01

    For large-scale wireless sensor networks (WSNs) with a minority of anchor nodes, multi-hop localization is a popular scheme for determining the geographical positions of the normal nodes. However, in practice existing multi-hop localization methods suffer from various kinds of problems, such as poor adaptability to irregular topology, high computational complexity, low positioning accuracy, etc. To address these issues in this paper, we propose a novel Multi-hop Localization algorithm based on Grid-Scanning (MLGS). First, the factors that influence the multi-hop distance estimation are studied and a more realistic multi-hop localization model is constructed. Then, the feasible regions of the normal nodes are determined according to the intersection of bounding square rings. Finally, a verifiably good approximation scheme based on grid-scanning is developed to estimate the coordinates of the normal nodes. Additionally, the positioning accuracy of the normal nodes can be improved through neighbors' collaboration. Extensive simulations are performed in isotropic and anisotropic networks. The comparisons with some typical algorithms of node localization confirm the effectiveness and efficiency of our algorithm.

  12. Odor-Active Compounds in the Special Flavor Hops Huell Melon and Polaris.

    Science.gov (United States)

    Neiens, Silva D; Steinhaus, Martin

    2018-02-14

    The volatiles isolated from samples of the special flavor hop varieties, Huell Melon and Polaris, and from the aroma hop variety, Hallertau Tradition, by solvent extraction and solvent-assisted flavor evaporation (SAFE) were subjected to a comparative aroma extract dilution analysis (cAEDA), which resulted in 46 odor-active compounds in the flavor dilution (FD) factor range of 16 to 2048. On the basis of high FD factors, myrcene, (3R)-linalool, and 2- and 3-methylbutanoic acid were confirmed as important variety-independent hop odorants. (1R,4S)-Calamenene was identified for the first time as an odor-active compound in hops. Clear differences in the FD factors and their subsequent objectification by stable isotope dilution quantitation suggested that high concentrations of the esters ethyl 2-methylbutanoate, ethyl 2-methylpropanoate, and propyl 2-methylbutanoate cause the characteristic fruity, cantaloupe-like odor note in Huell Melon hops, whereas the fruity and minty odor notes in Polaris are associated with high amounts of 3-methylbutyl acetate and 1,8-cineole.

  13. Exact Open Quantum System Dynamics Using the Hierarchy of Pure States (HOPS).

    Science.gov (United States)

    Hartmann, Richard; Strunz, Walter T

    2017-12-12

    We show that the general and numerically exact Hierarchy of Pure States method (HOPS) is very well applicable to calculate the reduced dynamics of an open quantum system. In particular, we focus on environments with a sub-Ohmic spectral density (SD) resulting in an algebraic decay of the bath correlation function (BCF). The universal applicability of HOPS, reaching from weak to strong coupling for zero and nonzero temperature, is demonstrated by solving the spin-boson model for which we find perfect agreement with other methods, each one suitable for a special regime of parameters. The challenges arising in the strong coupling regime are not only reflected in the computational effort needed for the HOPS method to converge but also in the necessity for an importance sampling mechanism, accounted for by the nonlinear variant of HOPS. In order to include nonzero-temperature effects in the strong coupling regime we found that it is highly favorable for the HOPS method to use the zero-temperature BCF and include temperature via a stochastic Hermitian contribution to the system Hamiltonian.

  14. Christian Hip Hop as Pedagogy: A South African Case Study

    Science.gov (United States)

    Abraham, Ibrahim

    2015-01-01

    Drawing on interviews with creators of Christian hip hop music in South Africa, this article demonstrates that this genre of popular music and youth culture is utilised as a form of pedagogy to transmit religious beliefs and values to contemporary youth. The pedagogical aspects of hip hop have been recognised in research on the topic, but the…

  15. Hop acid-rich spent craft brewer's yeast modulates gut bacterial growth

    Science.gov (United States)

    Alpha and beta hop acids (humulones and lupulones) from Humulus lupulus are inhibitors of Gram-positive organisms and important natural antibiotics for beer fermentation and carbohydrate feed stocks for biofuel production. Recent observations (Bryant and Cohen) of high levels of hop acids in spent ...

  16. Hop limited epidemic-like information spreading in mobile social networks with selfish nodes

    Science.gov (United States)

    Wu, Yahui; Deng, Su; Huang, Hongbin

    2013-07-01

    Similar to epidemics, information can be transmitted directly among users in mobile social networks. Different from epidemics, we can control the spreading process by adjusting the corresponding parameters (e.g., hop count) directly. This paper proposes a theoretical model to evaluate the performance of an epidemic-like spreading algorithm, in which the maximal hop count of the information is limited. In addition, our model can be used to evaluate the impact of users’ selfish behavior. Simulations show the accuracy of our theoretical model. Numerical results show that the information hop count can have an important impact. In addition, the impact of selfish behavior is related to the information hop count.

  17. Hop limited epidemic-like information spreading in mobile social networks with selfish nodes

    International Nuclear Information System (INIS)

    Wu, Yahui; Deng, Su; Huang, Hongbin

    2013-01-01

    Similar to epidemics, information can be transmitted directly among users in mobile social networks. Different from epidemics, we can control the spreading process by adjusting the corresponding parameters (e.g., hop count) directly. This paper proposes a theoretical model to evaluate the performance of an epidemic-like spreading algorithm, in which the maximal hop count of the information is limited. In addition, our model can be used to evaluate the impact of users’ selfish behavior. Simulations show the accuracy of our theoretical model. Numerical results show that the information hop count can have an important impact. In addition, the impact of selfish behavior is related to the information hop count. (paper)

  18. Molecular dynamics simulation on mechanical properties of crystalline CoSb3 with vacancy defect

    International Nuclear Information System (INIS)

    Yang Xuqiu; Zhai Pengcheng; Liu Lisheng; Zhang Qingjie

    2012-01-01

    The present work has investigated the tensile mechanical behavior of the skutterudite CoSb 3 single-crystal in the presence of antimony vacancies, since the antimony atoms in CoSb 3 are active and are usually easy to lose in practice. The molecular dynamics simulation method is employed. The vacancy atoms, whose fraction is limited up to 5%, are chosen randomly. The virtual uniaxial tension is carried out by strain controlling along a principal crystallographic direction at 300 K. The specimens with vacancies show similar stress-strain response features to there of the perfect crystal. However, the effective Young's modulus decreases linearly with the increase of the vacancy content, and the ultimate strength drops substantially from no vacancy to even a small vacancy fraction. Temperature dependence of the simulation results is also considered. Both Young's modulus and the ultimate strength exhibit an approximately linear reduction with increasing temperature for a specific vacancy fraction, and moreover, the reduction rate is comparable for different vacancy fractions. The Vacancy distribution effect is briefly discussed as well. As the vacancy concentration becomes uniform, the ultimate strength of the material would be promoted significantly.

  19. Gold fillings unravel the vacancy role in the phase transition of GeTe

    Science.gov (United States)

    Feng, Jinlong; Xu, Meng; Wang, Xiaojie; Lin, Qi; Cheng, Xiaomin; Xu, Ming; Tong, Hao; Miao, Xiangshui

    2018-02-01

    Phase change memory (PCM) is an important candidate for future memory devices. The crystalline phase of PCM materials contains abundant intrinsic vacancies, which plays an important role in the rapid phase transition upon memory switching. However, few experimental efforts have been invested to study these invisible entities. In this work, Au dopants are alloyed into the crystalline GeTe to fill the intrinsic Ge vacancies so that the role of these vacancies in the amorphization of GeTe can be indirectly studied. As a result, the reduction of Ge vacancies induced by Au dopants hampers the amorphization of GeTe as the activation energy of this process becomes higher. This is because the vacancy-interrupted lattice can be "repaired" by Au dopants with the recovery of bond connectivity. Our results demonstrate the importance of vacancies in the phase transition of chalcogenides, and we employ the percolation theory to explain the impact of these intrinsic defects on this vacancy-ridden crystal quantitatively. Specifically, the threshold of amorphization increases with the decrease in vacancies. The understanding of the vacancy effect sheds light on the long-standing puzzle of the mechanism of ultra-fast phase transition in PCMs. It also paves the way for designing low-power-consumption electronic devices by reducing the threshold of amorphization in chalcogenides.

  20. Strain engineering of magnetic state in vacancy-doped phosphorene

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Jie [Hunan Provincial Key Laboratory of Micro–Nano Energy Materials and Devices, Xiangtan University, Xiangtan 411105, Hunan (China); Zhang, Chunxiao, E-mail: zhangchunxiao@xtu.edu.cn [Hunan Provincial Key Laboratory of Micro–Nano Energy Materials and Devices, Xiangtan University, Xiangtan 411105, Hunan (China); Li, Jin [Hunan Provincial Key Laboratory of Micro–Nano Energy Materials and Devices, Xiangtan University, Xiangtan 411105, Hunan (China); Guo, Zhixin [Department of Physics, Xiangtan University, Xiangtan 411105, Hunan (China); Xiao, Huaping, E-mail: hpxiao@xtu.edu.cn [Hunan Provincial Key Laboratory of Micro–Nano Energy Materials and Devices, Xiangtan University, Xiangtan 411105, Hunan (China); Zhong, Jianxin [Hunan Provincial Key Laboratory of Micro–Nano Energy Materials and Devices, Xiangtan University, Xiangtan 411105, Hunan (China)

    2016-09-23

    Inducing and manipulating the magnetism in two-dimensional materials play an important role for the development of the next-generation spintronics. In this letter, the effects of the biaxial strain on magnetic properties of vacancy-doped phosphorene are investigated using first-principles calculation. We find although only SV956 doping induces magnetism for unstrained phosphorene, the biaxial strain induces nonzero magnetic moment for SV5566 and DVa doped phosphorene. The biaxial strain also modulates the magnetic state for SV956, SV5566 and DVa doped phosphorene. The local magnetic moment derives from the spin polarization of the dangling bonds near the vacancy. The biaxial strain influences the local bonding configuration near the vacancy which determines the presence of dangling bonds, and then modulates the magnetic state. Our findings promise the synergistic effect of strain engineering and vacancy decoration is an effective method for the operation of phosphorene-based spintronic devices. - Highlights: • Investigation of the magnetic moment of vacancy-doped phosphorene by DFT calculation. • The modulation of the magnetic moment by the biaxial strain. • The analysis of the bonding configuration with the biaxial strain. • The analysis of the electronic structures to explain the evolution of the magnetic moment. • The effects of the biaxial strain on the band gap and doping levels.