WorldWideScience

Sample records for atomic shells n

  1. Extraordinary N atom tunneling in formation of InN shell layer on GaN nanorod m-plane sidewall.

    Science.gov (United States)

    Cai, Duanjun; Lin, Na; Xu, Hongmei; Liao, Che-Hao; Yang, C C

    2014-12-12

    We report the extraordinary tunneling process that finds the lower cohesive energy route for stablizing InN shell layer on m-plane sidewall of GaN nanorod. The [0001] orientated GaN nanorod array is grown on sapphire substrate patterned with Ga nanoparticle by metal-organic vapor deposition method, based on which the simulation structures of c-plane top surface and m-plane sidewall surface is constructed for the first-principles calculations. The results show that the introduction of In wetting monolayer could effectively lower the cohesive energy of adalayers on non-polar GaN surfaces. Most importantly, it is revealed that there exists an extraordinary tunneling process in which the N atoms will drag out the In wetting atoms and tunnel through to form stable InN shell layer on the nanorod sidewall.

  2. Atomic inner-shell transitions

    Science.gov (United States)

    Crasemann, B.; Chen, M. H.; Mark, H.

    1984-01-01

    Atomic inner-shell processes have quite different characteristics, in several important aspects, from processes in the optical regime. Energies are large, e.g., the 1s binding energy reaches 100 keV at Z = 87; relativistic and quantum-electrodynamic effects therefore are strong. Radiationless transitions vastly dominate over photon emission in most cases. Isolated inner-shell vacancies have pronounced single-particle character, with correlations generally contributing only approximately 1 eV to the 1s and 2p binding energies; the structure of such systems is thus well tractable by independent-particle self-consistent-field atomic models. For systems containing multiple deep inner-shell vacancies, or for highly stripped ions, the importance of relativistic intermediate coupling and configuration interaction becomes pronounced. Cancellation of the Coulomb interaction can lead to strong manifestations of the Breit interaction in such phenomena as multiplet splitting and hypersatellite X-ray shifts. Unique opportunities arise for the test of theory.

  3. Atomic force microscopy of virus shells.

    Science.gov (United States)

    Moreno-Madrid, Francisco; Martín-González, Natalia; Llauró, Aida; Ortega-Esteban, Alvaro; Hernando-Pérez, Mercedes; Douglas, Trevor; Schaap, Iwan A T; de Pablo, Pedro J

    2017-04-15

    Microscopes are used to characterize small objects with the help of probes that interact with the specimen, such as photons and electrons in optical and electron microscopies, respectively. In atomic force microscopy (AFM), the probe is a nanometric tip located at the end of a microcantilever which palpates the specimen under study just as a blind person manages a walking stick. In this way, AFM allows obtaining nanometric resolution images of individual protein shells, such as viruses, in a liquid milieu. Beyond imaging, AFM also enables not only the manipulation of single protein cages, but also the characterization of every physicochemical property capable of inducing any measurable mechanical perturbation to the microcantilever that holds the tip. In the present revision, we start revising some recipes for adsorbing protein shells on surfaces. Then, we describe several AFM approaches to study individual protein cages, ranging from imaging to spectroscopic methodologies devoted to extracting physical information, such as mechanical and electrostatic properties. We also explain how a convenient combination of AFM and fluorescence methodologies entails monitoring genome release from individual viral shells during mechanical unpacking. © 2017 The Author(s); published by Portland Press Limited on behalf of the Biochemical Society.

  4. Atomic force microscopy of virus shells.

    Science.gov (United States)

    de Pablo, Pedro J

    2017-08-26

    Microscopes are used to characterize small specimens with the help of probes, such as photons and electrons in optical and electron microscopies, respectively. In atomic force microscopy (AFM) the probe is a nanometric tip located at the end of a microcantilever which palpates the specimen under study as a blind person manages a white cane to explore the surrounding. In this way, AFM allows obtaining nanometric resolution images of individual protein shells, such as viruses, in liquid milieu. Beyond imaging, AFM also enables the manipulation of single protein cages, and the characterization of every physico-chemical property able of inducing any measurable mechanical perturbation to the microcantilever that holds the tip. Here we describe several AFM approaches to study individual protein cages, including imaging and spectroscopic methodologies for extracting mechanical and electrostatic properties. In addition, AFM allows discovering and testing the self-healing capabilities of protein cages because occasionally they may recover fractures induced by the AFM tip. Beyond the protein shells, AFM also is able of exploring the genome inside, obtaining, for instance, the condensation state of dsDNA and measuring its diffusion when the protein cage breaks. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. NiCo2O4@TiN Core-shell Electrodes through Conformal Atomic Layer Deposition for All-solid-state Supercapacitors

    KAUST Repository

    Wang, Ruiqi

    2016-03-04

    Ternary transition metal oxides such as NiCo2O4 show great promise as supercapacitor electrode materials. However, the unsatisfactory rate performance of NiCo2O4 may prove to be a major hurdle to its commercial usage. Herein, we report the development of NiCo2O4@TiN core–shell nanostructures for all-solid-state supercapacitors with significantly enhanced rate capability. We demonstrate that a thin layer of TiN conformally grown by atomic layer deposition (ALD) on NiCo2O4 nanofiber arrays plays a key role in improving their electrical conductivity, mechanical stability, and rate performance. Fabricated using the hybrid NiCo2O4@TiN electrodes, the symmetric all-solid-state supercapacitor exhibited an impressive stack power density of 58.205 mW cm−3 at a stack energy density of 0.061 mWh cm−3. To the best of our knowledge, these values are the highest of any NiCo2O4-based all-solid-state supercapacitor reported. Additionally, the resulting NiCo2O4@TiN all-solid-state device displayed outstanding cycling stability by retaining 70% of its original capacitance after 20,000 cycles at a high current density of 10 mA cm−2. These results illustrate the promise of ALD-assisted hybrid NiCo2O4@TiN electrodes for sustainable and integrated energy storage applications.

  6. Atomically Monodisperse Gold Nanoclusters Catalysts with Precise Core-Shell Structure

    Directory of Open Access Journals (Sweden)

    Yuhan Sun

    2011-09-01

    Full Text Available The emphasis of this review is atomically monodisperse Aun nanoclusters catalysts (n = number of metal atom in cluster that are ideally composed of an exact number of metal atoms. Aun which range in size from a dozen to a few hundred atoms are particularly promising for nanocatalysis due to their unique core-shell structure and non-metallic electronic properties. Aun nanoclusters catalysts have been demonstrated to exhibit excellent catalytic activity in hydrogenation and oxidation processes. Such unique properties of Aun significantly promote molecule activation by enhancing adsorption energy of reactant molecules on catalyst surface. The structural determination of Aun nanoclusters allows for a precise correlation of particle structure with catalytic properties and also permits the identification of catalytically active sites on the gold particle at an atomic level. By learning these fundamental principles, one would ultimately be able to design new types of highly active and highly selective gold nanocluster catalysts for a variety of catalytic processes.

  7. Atomic shell structures observed in photoionization spectra of nickel and cobalt clusters

    Energy Technology Data Exchange (ETDEWEB)

    Vialle, J.L. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire; Pellarin, M. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire; Baguenard, B. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire; Lerme, J. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire; Broyer, M. [Lyon-1 Univ., 69 - Villeurbanne (France). Lab. de Spectrometrie Ionique et Moleculaire

    1995-12-31

    Nickel and cobalt clusters have been studied by near threshold laser-photoionization and time-of-flight mass spectrometry. In the size domain from 50 up to 800 atoms, the mass distributions of the photoionized products look very similar for nickel and cobalt clusters. In both cases a regular structure is observed which is periodic on a N{sup 1/3} scale. It is found to be consistent with the filling of successive icosahedral shells of atoms. The recurring details of this structure agree with the so-called umbrellas model. (orig.)

  8. Three-dimensional atomic imaging of colloidal core-shell nanocrystals

    NARCIS (Netherlands)

    Bals, S.; Casavola, M.|info:eu-repo/dai/nl/34135595X; van Huis, M.A.|info:eu-repo/dai/nl/304097586; Van Aert, S.; Batenburg, K.J.; Van Tendeloo, G.; Vanmaekelbergh, D.A.M.|info:eu-repo/dai/nl/304829137

    2011-01-01

    Colloidal core–shell semiconductor nanocrystals form an important class of optoelectronic materials, in which the exciton wave functions can be tailored by the atomic configuration of the core, the interfacial layers, and the shell. Here, we provide a trustful 3D characterization at the atomic scale

  9. K-shell auger decay of atomic oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Stolte, W.C.; Lu, Y.; Samson, J.A.R. [Univ. of Nebraska, Lincoln, NE (United States)] [and others

    1997-04-01

    The aim of the present research is to understand the interaction between the ejected photoelectron and Auger electron produced by the Auger decay of a 1s hole in atomic oxygen, and to understand the influence this interaction has on the shape of the ionization cross sections. To accomplish this the authors have measured the relative ion yields (ion/photon) in the vicinity of the oxygen K-shell (525 - 533 eV) for O{sup +} and O{sup 2+}. The measurements were performed at the ALS on beamline, 6.3.2. The atomic oxygen was produced by passing molecular oxygen through a microwave-driven discharge. A Rydberg analysis of the two series leading to the [1s]2s{sup 2}2p{sup 4}({sup 4}P) and [1s]2s{sup 2}2p{sup 4}({sup 2}P) limits were obtained. This analysis shows some differences to the recently published results by Menzel et al. The energy position of the main 1s{sup 1}2s{sup 2}2p{sup 5}({sup 3}P) resonance differs by approximately 1 eV from the authors value, all members of the ({sup 2}P)np series differ by 0.3 eV, but the members of the ({sup 4}P)np series agree. The molecular resonance at 530.5 eV and those between 539 eV and 543 eV, measured with the microwave discharge off show identical results in both experiments.

  10. Strong dependence of shake probability on valence electron state for the inner-shell ionization of atoms

    Energy Technology Data Exchange (ETDEWEB)

    Kupliauskiene, A [Institute of Theoretical Physics and Astronomy of Vilnius University, A Gostauto 12, 2600 Vilnius (Lithuania); Glemza, K [Vilnius University, Sauletekio 9, Vilnius (Lithuania)

    2002-11-28

    The probability of the shaking process accompanying inner-shell ionization (expressed as the square of the overlap integrals of valence electron radial orbitals in the initial and final states) is calculated for a number of second- and third-row atoms and singly and doubly charged ions (in the excited states of n{sub 0} l{sub 0}{sup N} nl (3{<=}n{<=}9, 0{<=}l{<=}3)). Enormous differences are found for the low-excited n s and n p states between shake probabilities that are calculated using numerical solutions of Hartree-Fock equations and hydrogenic radial orbitals (with an effective nuclear charge and with an effective principal quantum number obtained from experimental binding energies). The results can be a useful guide in the search for strong relaxation effects in the Auger decay and inner-shell ionization of excited atoms and ions by photons and electrons as well as in sudden-perturbation approximation calculations.

  11. Simultaneous K plus L shell ionized atoms during heavy-ion ...

    Indian Academy of Sciences (India)

    Abstract. The fraction of simultaneous K plus L shell ionized atoms is estimated in Fe,. Co and Cu elements using carbon ions at different projectile energies. The present results indicate that the fraction of simultaneous K plus L shell ionization probability decreases with increase in projectile energy as well as with increase ...

  12. Simultaneous K plus L shell ionized atoms during heavy-ion ...

    Indian Academy of Sciences (India)

    The fraction of simultaneous K plus L shell ionized atoms is estimated in Fe, Co and Cu elements using carbon ions at different projectile energies. The present results indicate that the fraction of simultaneous K plus L shell ionization probability decreases with increase in projectile energy as well as with increase in the ...

  13. Wigner’s phase-space function and atomic structure: II. Ground states for closed-shell atoms

    DEFF Research Database (Denmark)

    Springborg, Michael; Dahl, Jens Peder

    1987-01-01

    display and analyze the function for the closed-shell atoms helium, beryllium, neon, argon, and zinc in the Hartree-Fock approximation. The quantum-mechanical exact results are compared with those obtained with the approximate Thomas-Fermi description of electron densities in phase space....

  14. process for K-shell ionization of atoms

    Indian Academy of Sciences (India)

    s-matrix element is evaluated in one photon exchange approximation using Dirac plane waves for incident and scattered electrons. The bound K-shell and ejected electrons are represented by Darwin wave function and non-relativistic Coulomb wave function multiplied by the Darwin matrix respectively. They have shown ...

  15. Effect of energy transfer from atomic electron shell to an α particle emitted by decaying nucleus

    Energy Technology Data Exchange (ETDEWEB)

    Igashov, S. Yu., E-mail: igashov@theor.mephi.ru [All-Russian Research Institute of Automatics (Russian Federation); Tchuvil’sky, Yu. M. [Moscow State University, Skobeltsyn Institute of Nuclear Physics (Russian Federation)

    2016-12-15

    The process of energy transfer from the electron shell of an atom to an α particle propagating through the shell is formulated mathematically. Using the decay of the {sup 226}Ra nucleus as an example, it is demonstrated that this phenomenon increases the α-decay intensity in contrast with other known effects of similar type. Moreover, the α decay of the nucleus is more strongly affected by the energy transfer than by all other effects taken together.

  16. Mapping the Two-Component Atomic Fermi Gas to the Nuclear Shell-Model

    DEFF Research Database (Denmark)

    Özen, C.; Zinner, Nikolaj Thomas

    2014-01-01

    of the external potential becomes important. A system of two-species fermionic cold atoms with an attractive zero-range interaction is analogous to a simple model of nucleus in which neutrons and protons interact only through a residual pairing interaction. In this article, we discuss how the problem of a two......-component atomic fermi gas in a tight external trap can be mapped to the nuclear shell model so that readily available many-body techniques in nuclear physics, such as the Shell Model Monte Carlo (SMMC) method, can be directly applied to the study of these systems. We demonstrate an application of the SMMC method...

  17. Deposition of conductive TiN shells on SiO2 nanoparticles with a fluidized bed ALD reactor

    NARCIS (Netherlands)

    Didden, A.; Hillebrand, P.; Wollgarten, M.; Dam, B.; Van de Krol, R.

    2016-01-01

    Conductive TiN shells have been deposited on SiO2 nanoparticles (10–20 nm primary particle size) with fluidized bed atomic layer deposition using TDMAT and NH3 as precursors. Analysis of the powders confirms that shell growth saturates at approximately 0.4 nm/cycle at TDMAT doses of >1.2 mmol/g of

  18. Sub-nanometer dimensions control of core/shell nanoparticles prepared by atomic layer deposition.

    Science.gov (United States)

    Weber, M J; Verheijen, M A; Bol, A A; Kessels, W M M

    2015-03-06

    Bimetallic core/shell nanoparticles (NPs) are the subject of intense research due to their unique electronic, optical and catalytic properties. Accurate and independent control over the dimensions of both core and shell would allow for unprecedented catalytic performance. Here, we demonstrate that both core and shell dimensions of Pd/Pt core/shell nanoparticles (NPs) supported on Al2O3 substrates can be controlled at the sub-nanometer level by using a novel strategy based on atomic layer deposition (ALD). From the results it is derived that the main conditions for accurate dimension control of these core/shell NPs are: (i) a difference in surface energy between the deposited core metal and the substrate to obtain island growth; (ii) a process yielding linear growth of the NP cores with ALD cycles to obtain monodispersed NPs with a narrow size distribution; (iii) a selective ALD process for the shell metal yielding a linearly increasing thickness to obtain controllable shell growth exclusively on the cores. For Pd/Pt core/shell NPs it is found that a minimum core diameter of 1 nm exists above which the NP cores are able to catalytically dissociate the precursor molecules for shell growth. In addition, initial studies on the stability of these core/shell NPs have been carried out, and it has been demonstrated that core/shell NPs can be deposited by ALD on high aspect ratio substrates such as nanowire arrays. These achievements show therefore that ALD has significant potential for the preparation of tuneable heterogeneous catalyst systems.

  19. Mass Measurements Demonstrate a Strong N =28 Shell Gap in Argon

    CERN Document Server

    Meisel, Z; Ahn, S; Browne, J; Bazin, D; Brown, B A; Carpino, J F; Chung, H; Cyburt, R H; Estradé, A; Famiano, M; Gade, A; Langer, C; Matoš, M; Mittig, W; Montes, F; Morrissey, D J; Pereira, J; Schatz, H; Schatz, J; Scott, M; Shapira, D; Smith, K; Stevens, J; Tan, W; Tarasov, O; Towers, S; Wimmer, K; Winkelbauer, J R; Yurkon, J; Zegers, R G T

    2015-01-01

    We present results from recent time-of-flight nuclear mass measurements at the National Superconducting Cyclotron Laboratory at Michigan State University. We report the first mass measurements of 48Ar and 49Ar and find atomic mass excesses of -22.28(31) MeV and -17.8(1.1) MeV, respectively. These masses provide strong evidence for the closed shell nature of neutron number N=28 in argon, which is therefore the lowest even-Z element exhibiting the N=28 closed shell. The resulting trend in binding-energy differences, which probes the strength of the N=28 shell, compares favorably with shellmodel calculations in the sd-pf shell using SDPF-U and SDPF-MU Hamiltonians.

  20. Photoionization of the valence shells of the neutral tungsten atom

    CERN Document Server

    Ballance, Connor P

    2015-01-01

    Results from large-scale theoretical cross section calculations for the total photoionization of the 4f, 5s, 5p and 6s orbitals of the neutral tungsten atom using the Dirac Coulomb R-matrix approximation (DARC: Dirac-Atomic R-matrix codes) are presented. Comparisons are made with previous theoretical methods and prior experimental measurements. In previous experiments a time-resolved dual laser approach was employed for the photo-absorption of metal vapours and photo-absorption measurements on tungsten in a solid, using synchrotron radiation. The lowest ground state level of neutral tungsten is $\\rm 5p^6 5d^4 6s^2 \\; {^5}D_{\\it J}$, with $\\it J$=0, and requires only a single dipole matrix for photoionization. To make a meaningful comparison with existing experimental measurements, we statistically average the large-scale theoretical PI cross sections from the levels associated with the ground state $\\rm 5p^6 5d^4 6s^2 \\; {^5}D_{\\it J}[{\\it J}=0,1,2,3,4]$ levels and the $\\rm 5d^56s \\; ^7S_3$ excited metastable...

  1. Shell

    OpenAIRE

    Harper, Catherine

    2006-01-01

    Susie MacMurray's Shell installation manifests in Pallant House Gallery, Chichester, like some pulsing exotica, a heavily-textured wall-paper, darkly decorative, heavily luxurious, broodingly present, with more than a hint of the uncanny or the gothic. A remarkable undertaking by an artist of significance, this work's life-span will be just one year, and then it will disappear, leaving no physical trace, but undoubtedly contributing in a much less tangible way to an already rich layering of n...

  2. Periodic systems of N-atom molecules

    Science.gov (United States)

    Hefferlin, R. A.; Zhuvikin, G. V.; Caviness, K. E.; Duerksen, P. J.

    1984-10-01

    The atoms have long been classified into a periodic system, which is now based on quantum mechanics and group theory. A classification of molecules containing any number (N) of atoms is proposed. It is an extension of the periodic system of the atoms. The approach in this paper is that of group theory, although the proposed system has been subjected to exhaustive comparison with experimental and ab initio computational results for diatomic molecules, and conforms to the commonly known behaviors of molecules with larger N. Orthonormal transformations are performed so that the molecules can be arranged according to their numbers of electrons and to the differences of atomic numbers of the constituent atoms. These arrangements parallel the physical reality of atomic bonding and permit partial three-dimensional models of the systems to be constructed for molecules with as many as four atoms.

  3. Two-photon excitation/ionization of the 1s-shell of the argon atom

    CERN Document Server

    Novikov, S A

    2002-01-01

    The absolute values and the shape of the two-photon excitation/ionization cross section of the 1s-shell of the argon atom are calculated with inclusion of the many-particle effects, i.e., the relaxation of the atomic residue in the field of the vacancies created, and the decay of the vacancies into the channels of Auger and (or) radiative types. The wavefunctions of the one-particle states are calculated in non-relativistic approximation. The calculations are performed for both linear and circular polarization of the laser beam.

  4. Ultra fast atomic process in X-ray emission by inner-shell ionization

    Energy Technology Data Exchange (ETDEWEB)

    Moribayashi, Kengo; Sasaki, Akira [Japan Atomic Energy Research Inst., Neyagawa, Osaka (Japan). Kansai Research Establishment; Tajima, T.

    1998-03-01

    An ultra-fast atomic process together with X-ray emission by inner-shell ionization using high intensity (10{sup 18} W/cm{sup 2}) short pulse (20fs) X-ray is studied. A new class of experiment is proposed and a useful pumping source is suggested. In this method, it is found that the gain value of X-ray laser amounts to larger than 1000(1/cm) with use of the density of 10{sup 22}/cm{sup 3} of carbon atom. Electron impact ionization effect and initial density effect as well as intensity of pumping source effect are also discussed. (author)

  5. Study of the K shell photoelectric parameters of Dy, Yb and W atoms using low energy Bremsstrahlung radiation

    Energy Technology Data Exchange (ETDEWEB)

    Hosur, S.B.; Naika, L.R.; Badiger, N.M. [Department of Studies in PhysicsKarnatak University, Dharwad - 580003 (India)

    2011-04-15

    Low energy external Bremsstrahlung (EB) photons were used to estimate the K shell photoelectric parameters; the K shell photoelectric cross section at the K edge, the K shell binding energy, the K shell jump ratio, the K shell jump factors, the Davisson-Kirchner ratio and the K shell oscillator strength for dysprosium (Dy), ytterbium (Yb) and tungsten (W) atoms. The EB photons are produced in the nickel (Ni) target by using the beta particles from a weak beta source of {sup 90}Sr-{sup 90}Y. These photons are made to fall on these elemental targets of our interest and the transmitted spectrum is measured using GMX 10P HPGe detector coupled to an 8K multichannel analyzer. The sharp decrease at the K edge in the measured spectrum is used to determine the K shell photoelectric parameters of these elements. The experimental results are in good agreement with the theoretical values. (authors)

  6. Study of the K shell photoelectric parameters of Dy, Yb and W atoms using low energy bremsstrahlung radiation

    Science.gov (United States)

    Hosur, S. B.; Naik, L. R.; Badiger, N. M.

    2011-04-01

    Low energy external bremsstrahlung (EB) photons were used to estimate the K shell photoelectric parameters; the K shell photoelectric cross section at the K edge, the K shell binding energy, the K shell jump ratio, the K shell jump factors, the Davisson-Kirchner ratio and the K shell oscillator strength for dysprosium (Dy), ytterbium (Yb) and tungsten (W) atoms. The EB photons are produced in the nickel (Ni) target by using the beta particles from a weak beta source of 90Sr-90Y. These photons are made to fall on these elemental targets of our interest and the transmitted spectrum is measured using GMX 10P HPGe detector coupled to an 8K multichannel analyzer. The sharp decrease at the K edge in the measured spectrum is used to determine the K shell photoelectric parameters of these elements. The experimental results are in good agreement with the theoretical values.

  7. First-principles investigation on Au n @(ZnO)42 (n = 6-16) core-shell nanoparticles: structure stability and catalytic activity

    Science.gov (United States)

    Hu, Yaowen; Huo, Jinrong; Wang, Xiaoxu; Wang, Rongming

    2017-11-01

    A family of Au n @(ZnO)42 (n = 6 -16) cluster-assembled nanoparticles are studied by density-functional theory calculations. Different sizes, up to 100 atoms, are considered for several compositions. For each n, we design and construct a converged model for Au n @(ZnO)42 to analyze the coupling effect of adding Au atoms into ZnO outer shell. Among the optimized geometrical structures, we find that Au13 @(ZnO)42 has the most stable structure. The electronic properties, optical properties and catalytic activity of the Au13 @(ZnO)42 core-shell have been systematically investigated, which also shows consistency with the experimental results. It is found that forming a core-shell structure enhances the visible-light photocatalytic ability and Au13 @(ZnO)42 core-shell structure has a high catalytic efficiency for the reaction CO oxidation.

  8. Shell closure at {ital N}=164: Spherical or deformed?

    Energy Technology Data Exchange (ETDEWEB)

    Rigol, J. [Joint Institute for Nuclear Research, 141980 Dubna (Russia)

    1997-02-01

    Brenner {ital et al}. [1] recently reported the apparent evidence for a spherical shell at {ital N}=164. Some arguments are given which may make it necessary to reconsider this conclusion. {copyright} {ital 1997} {ital The American Physical Society}

  9. Relativistic calculations of double $K$-shell photoionization for neutral medium-$Z$ atoms

    CERN Document Server

    Yerokhin, V A; Fritzsche, S

    2014-01-01

    Fully relativistic calculations are presented for the double $K$-shell photoionization cross section for several neutral medium-$Z$ atoms, from magnesium ($Z = 10$) up to silver ($Z = 47$). The calculations take into account all multipoles of the absorbed photon as well as the retardation of the electron-electron interaction. The approach is based on the partial-wave representation of the Dirac continuum states and uses the Green-function technique to represent the full Dirac spectrum of intermediate states. The method is strictly gauge invariant, which is used as an independent cross check of the computational procedure. The calculated ratios of the double-to-single $K$-shell ionization cross sections are compared with the experimental data and with previous computations.

  10. Deposition of conductive TiN shells on SiO{sub 2} nanoparticles with a fluidized bed ALD reactor

    Energy Technology Data Exchange (ETDEWEB)

    Didden, Arjen [Delft University of Technology, Faculty of Applied Sciences, Materials for Energy Conversion and Storage (Netherlands); Hillebrand, Philipp; Wollgarten, Markus [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Institute for Solar Fuels (Germany); Dam, Bernard; Krol, Roel van de, E-mail: roel.vandekrol@helmholtz-berlin.de [Delft University of Technology, Faculty of Applied Sciences, Materials for Energy Conversion and Storage (Netherlands)

    2016-02-15

    Conductive TiN shells have been deposited on SiO{sub 2} nanoparticles (10–20 nm primary particle size) with fluidized bed atomic layer deposition using TDMAT and NH{sub 3} as precursors. Analysis of the powders confirms that shell growth saturates at approximately 0.4 nm/cycle at TDMAT doses of >1.2 mmol/g of powder. TEM and XPS analysis showed that all particles were coated with homogeneous shells containing titanium. Due to the large specific surface area of the nanoparticles, the TiN shells rapidly oxidize upon exposure to air. Electrical measurements show that the partially oxidized shells are conducting, with apparent resistivity of approximately ∼11 kΩ cm. The resistivity of the powders is strongly influenced by the NH{sub 3} dose, with a smaller dose giving an order-of-magnitude higher resistivity.

  11. Signatures of shell evolution in alpha decay across the N = 126 shell closure

    Science.gov (United States)

    Rui-Wang; Wang, Rui-Yao; Qian, Yi-Bin; Ren, Zhong-Zhou

    2017-06-01

    Within the alpha-cluster model, we particularly investigate the alpha decay of exotic nuclei in the vicinity of the N = 126 neutron shell plus the Z = 82 proton shell. The systematics of alpha-preformation probability (P α ), as an indicator of the shell effect, is deduced from the ratio of the experimental decay width to the calculated one. Through the comparative analysis of the P α trend in the N = 124-130 isotonic chain, the N = 126 and Z = 82 shell closures are believed to strongly affect the formation of the alpha particle before its penetration. Additionally, the P α variety in Po and Rn isotopes is presented as another proof for such an influence. More importantly, it may be concluded that the expected neutron (or proton) shell effect gradually fades away along with the increasing valence proton (or neutron) number. The odd-even staggering presented in the P α value is also discussed. Supported by National Natural Science Foundation of China (11375086, 11535004, 11605089, 11120101005), Natural Science Youth Fund of Jiangsu Province (BK20150762), Fundamental Research Funds for the Central Universities (30916011339), 973 National Major State Basic Research and Development Program of China (2013CB834400), and a Project Funded by the Priority Academic Programme Development of JiangSu Higher Education Institutions (PAPD)

  12. Accurate evaluation of magnetic coupling between atoms with numerous open shells: An ab initio method

    Science.gov (United States)

    Gellé, A.; Varignon, J.; Lepetit, M.-B.

    2009-11-01

    We propose a new ab initio method designed for the accurate calculation of effective exchange integrals between atoms with numerous open shells. This method applies to ferromagnetic as well as antiferromagnetic exchange, direct or ligand-mediated exchange. Test calculations on high spin transition metal oxides such as KNiF3, Ba2CoS3 or YMnO3 exhibit a very good accuracy compared either to the best ab initio calculations —when those are feasible— and with experimental evaluations.

  13. Shannon entropies and Fisher information of K-shell electrons of neutral atoms

    Science.gov (United States)

    Sekh, Golam Ali; Saha, Aparna; Talukdar, Benoy

    2018-02-01

    We represent the two K-shell electrons of neutral atoms by Hylleraas-type wave function which fulfils the exact behavior at the electron-electron and electron-nucleus coalescence points and, derive a simple method to construct expressions for single-particle position- and momentum-space charge densities, ρ (r) and γ (p) respectively. We make use of the results for ρ (r) and γ (p) to critically examine the effect of correlation on bare (uncorrelated) values of Shannon information entropies (S) and of Fisher information (F) for the K-shell electrons of atoms from helium to neon. Due to inter-electronic repulsion the values of the uncorrelated Shannon position-space entropies are augmented while those of the momentum-space entropies are reduced. The corresponding Fisher information are found to exhibit opposite behavior in respect of this. Attempts are made to provide some plausible explanation for the observed response of S and F to electronic correlation.

  14. Analytical expression for K- and L-shell cross sections of neutral atoms near ionization threshold by electron impact

    Energy Technology Data Exchange (ETDEWEB)

    Campos, C S [Instituto de Geociencias, Centro de Pesquisa em Geologia e GeofIsica, Universidade Federal da Bahia (UFBA), 40170-290 Salvador (Brazil); Vasconcellos, M A Z [Instituto de Fisica, Universidade Federal do Rio Grande do Sul (UFRGS), 91501-970 Porto Alegre, RS (Brazil); Trincavelli, J C [Facultad de Matematica, AstronomIa y Fisica, Universidad Nacional de Cordoba, Ciudad Universitaria, 5000, Cordoba (Argentina); Segui, S [Centro Atomico Bariloche, Comision Nacional de EnergIa Atomica, 8400 San Carlos de Bariloche, RIo Negro (Argentina)

    2007-10-14

    An analytical expression is proposed to describe the K- and L-shell ionization cross sections of neutral atoms by electron impact over a wide range of atomic numbers (4 {<=} Z {<=} 79) and over voltages U < 10. This study is based on the analysis of a calculated ionization cross section database using the distorted-wave first-order Born approximation (DWBA). The expression proposed for cross sections relative to their maximum height involves only two parameters for each atomic shell, with no dependence on the atomic number. On the other hand, it is verified that these parameters exhibit a monotonic behaviour with the atomic number for the absolute ionization cross sections, which allows us to obtain analytical expressions for the latter.

  15. Microstructure of Monoplacophora (Mollusca) shell examined by low-voltage field emission scanning electron and atomic force microscopy.

    Science.gov (United States)

    Cruz, Renato; Weissmüller, Gilberto; Farina, Marcos

    2003-01-01

    The shell of Micropilina arntzi (Mollusca: Monoplacophora), a primitive molluscan class, was examined by using field emission scanning electron microscopy (FESEM) at low voltage and atomic force microscopy (AFM). The use of these two techniques allowed the observation of fine details of Micropilina arntzi shell and contributed to bring new features concerning the study of molluscan shell microtexture. Imaging with low-voltage FESEM provided well-defined edge contours of shell structures, while analyzing the sample with AFM gave information about the step height of stacked internal structures as well as the dimension of the particles present in their surface at a nanometric level. The shell microstructure of Monoplacophora species presents different patterns and may be a taxonomic implication in the systematic studies of the group.

  16. Actinometry of O, N and F atoms

    Science.gov (United States)

    Lopaev, D. V.; Volynets, A. V.; Zyryanov, S. M.; Zotovich, A. I.; Rakhimov, A. T.

    2017-02-01

    The applicability of actinometry for measuring the absolute concentration of O, N and F atoms in discharge plasma was studied. For this purpose, concentrations of these atoms were measured downstream of an ICP plasma by means of the actinometry method and of appearance potential mass-spectrometry (APMS). Comparison of the results showed good agreement between the two methods. Since the excitation cross sections of electron states O(3p 3P) and O(3p 5P) applied in actinometry are well tested, this allows using the APMS method for absolute calibration of the theoretical excitation cross sections for N and F atoms. As a result, total excitation cross sections σ \\text{e}\\text{total} of the atomic levels N(3p 4Po), F(3p 2Po) and F(3p 4Do) have been obtained for the first time. Since different types of electron energy distribution function (EEDF) were observed (Maxwellian, bi-Maxwellian and Druyvesteyn) the influence of these possible EEDF types on actinometric coefficients C\\text{Ar}X (X  =  O, N, F), that link the ratio of the atom and actinometer intensities {{I}X}/{{I}\\text{Ar}} with that of their concentrations [X]/[Ar], was also analyzed. It was shown that at the same ionization rate (effective electron temperature) the excitation rate constants k\\text{e}X,\\text{Ar} are highly sensitive to the shape of EEDF, whereas actinometric coefficients C\\text{Ar}X depend on it only slightly. Dependence of actinometric coefficients on electron temperature C\\text{Ar}X≤ft({{T}\\text{e}}\\right) is positive if the emitting level of the X-atom is lower than that of the actinometer, and negative if vice versa. The energy difference between the emitting states of O and Ar atoms is maximal (~3 eV), so that C\\text{Ar}\\text{O}≤ft({{T}\\text{e}}\\right) is not constant for a whole range of electron temperatures typical for discharge plasmas (~2-8 eV). For nitrogen atoms C\\text{Ar}\\text{N}≤ft({{T}\\text{e}}\\right) varies considerably with T e only when T e

  17. Atomically Abrupt Topological p-n Junction.

    Science.gov (United States)

    Kim, Sung Hwan; Jin, Kyung-Hwan; Kho, Byung Woo; Park, Byeong-Gyu; Liu, Feng; Kim, Jun Sung; Yeom, Han Woong

    2017-08-24

    Topological insulators (TI's) are a new class of quantum matter with extraordinary surface electronic states, which bear great potential for spintronics and error-tolerant quantum computing. In order to put a TI into any practical use, these materials need to be fabricated into devices whose basic units are often p-n junctions. Interesting electronic properties of a 'topological' p-n junction were proposed theoretically such as the junction electronic state and the spin rectification. However, the fabrication of a lateral topological p-n junction has been challenging because of materials, process, and fundamental reasons. Here, we demonstrate an innovative approach to realize a p-n junction of topological surface states (TSS's) of a three-dimensional (3D) topological insulator (TI) with an atomically abrupt interface. When a ultrathin Sb film is grown on a 3D TI of Bi2Se3 with a typical n-type TSS, the surface develops a strongly p-type TSS through the substantial hybridization between the 2D Sb film and the Bi2Se3 surface. Thus, the Bi2Se3 surface covered partially with Sb films bifurcates into areas of n- and p-type TSS's as separated by atomic step edges with a lateral electronic junction of as short as 2 nm. This approach opens a different avenue toward various electronic and spintronic devices based on well-defined topological p-n junctions with the scalability down to atomic dimensions.

  18. Precision mass measurements of Cd-127125 isotopes and isomers approaching the N =82 closed shell

    Science.gov (United States)

    Lascar, D.; Klawitter, R.; Babcock, C.; Leistenschneider, E.; Stroberg, S. R.; Barquest, B. R.; Finlay, A.; Foster, M.; Gallant, A. T.; Hunt, P.; Kelly, J.; Kootte, B.; Lan, Y.; Paul, S. F.; Phan, M. L.; Reiter, M. P.; Schultz, B.; Short, D.; Simonis, J.; Andreoiu, C.; Brodeur, M.; Dillmann, I.; Gwinner, G.; Holt, J. D.; Kwiatkowski, A. A.; Leach, K. G.; Dilling, J.

    2017-10-01

    We present the results of precision mass measurements of neutron-rich cadmium isotopes. These nuclei approach the N =82 closed neutron shell and are important to nuclear structure as they lie near doubly magic 132Sn on the chart of nuclides. Of particular note is the clear identification of the ground-state mass in 127Cd along with the isomeric state. We show that the ground state identified in a previous mass measurement which dominates the mass value in the Atomic Mass Evaluation is an isomeric state. In addition to Cd/m127, we present other cadmium masses measured (Cd/m125 and 126Cd) in a recent TITAN experiment at TRIUMF. Finally, we compare our measurements to new ab initio shell-model calculations and comment on the state of the field in the N =82 region.

  19. Structural Evolution of Core-Shell Gold Nanoclusters: Aun(-) (n = 42-50).

    Science.gov (United States)

    Pande, Seema; Huang, Wei; Shao, Nan; Wang, Lei-Ming; Khetrapal, Navneet; Mei, Wai-Ning; Jian, Tian; Wang, Lai-Sheng; Zeng, Xiao Cheng

    2016-11-22

    Gold nanoclusters have attracted great attention in the past decade due to their remarkable size-dependent electronic, optical, and catalytic properties. However, the structures of large gold clusters are still not well-known because of the challenges in global structural searches. Here we report a joint photoelectron spectroscopy (PES) and theoretical study of the structural evolution of negatively charged core-shell gold nanoclusters (Aun(-)) for n = 42-50. Photoelectron spectra of size-selected Aun(-) clusters are well resolved with distinct spectral features, suggesting a dominating structural type. The combined PES data and density functional calculations allow us to systematically identify the global minimum or candidates of the global minima of these relatively large gold nanoclusters, which are found to possess low-symmetry structures with gradually increasing core sizes. Remarkably, the four-atom tetrahedral core, observed first in Au33(-), continues to be highly robust and is even present in clusters as large as Au42(-). Starting from Au43(-), a five-atom trigonal bipyramidal core appears and persists until Au47(-). Au48(-) possesses a six-atom core, while Au49(-) and Au50(-) feature seven- and eight-atom cores, respectively. Notably, both Au46(-) and Au47(-) contain a pyramidal Au20 motif, which is stacked with another truncated pyramid by sharing a common 10-atom triangular face. The present study sheds light on our understanding of the structural evolution of the medium-sized gold nanoclusters, the shells and core as well as how the core-shell structures may start to embrace the golden pyramid (bulk-like) fragment.

  20. Off-shell D=5, N=2 Riemann squared supergravity

    NARCIS (Netherlands)

    Bergshoeff, Eric A.; Rosseel, Jan; Sezgin, Ergin

    2011-01-01

    We construct a new off-shell invariant in N = 2, D = 5 supergravity whose leading term is the square of the Riemann tensor. It contains a gravitational Chern-Simons term involving the vector field that belongs to the supergravity multiplet. The action is obtained by mapping the transformation rules

  1. Ionic bonding of lanthanides, as influenced by d- and f-atomic orbitals, by core-shells and by relativity.

    Science.gov (United States)

    Ji, Wen-Xin; Xu, Wei; Schwarz, W H Eugen; Wang, Shu-Guang

    2015-03-15

    Lanthanide trihalide molecules LnX3 (X = F, Cl, Br, I) were quantum chemically investigated, in particular detail for Ln = Lu (lutetium). We applied density functional theory (DFT) at the nonrelativistic and scalar and SO-coupled relativistic levels, and also the ab initio coupled cluster approach. The chemically active electron shells of the lanthanide atoms comprise the 5d and 6s (and 6p) valence atomic orbitals (AO) and also the filled inner 4f semivalence and outer 5p semicore shells. Four different frozen-core approximations for Lu were compared: the (1s(2) -4d(10) ) [Pd] medium core, the [Pd+5s(2) 5p(6) = Xe] and [Pd+4f(14) ] large cores, and the [Pd+4f(14) +5s(2) 5p(6) ] very large core. The errors of LuX bonding are more serious on freezing the 5p(6) shell than the 4f(14) shell, more serious upon core-freezing than on the effective-core-potential approximation. The LnX distances correlate linearly with the AO radii of the ionic outer shells, Ln(3+) -5p(6) and X(-) -np(6) , characteristic for dominantly ionic Ln(3+) -X(-) binding. The heavier halogen atoms also bind covalently with the Ln-5d shell. Scalar relativistic effects contract and destabilize the LuX bonds, spin orbit coupling hardly affects the geometries but the bond energies, owing to SO effects in the free atoms. The relativistic changes of bond energy BE, bond length Re , bond force k, and bond stretching frequency vs do not follow the simple rules of Badger and Gordy (Re ∼BE∼k∼vs ). The so-called degeneracy-driven covalence, meaning strong mixing of accidentally near-degenerate, nearly nonoverlapping AOs without BE contribution is critically discussed. © 2015 Wiley Periodicals, Inc.

  2. Polymer-inorganic core-shell nanofibers by electrospinning and atomic layer deposition: flexible nylon-ZnO core-shell nanofiber mats and their photocatalytic activity.

    Science.gov (United States)

    Kayaci, Fatma; Ozgit-Akgun, Cagla; Donmez, Inci; Biyikli, Necmi; Uyar, Tamer

    2012-11-01

    Polymer-inorganic core-shell nanofibers were produced by two-step approach; electrospinning and atomic layer deposition (ALD). First, nylon 6,6 (polymeric core) nanofibers were obtained by electrospinning, and then zinc oxide (ZnO) (inorganic shell) with precise thickness control was deposited onto electrospun nylon 6,6 nanofibers using ALD technique. The bead-free and uniform nylon 6,6 nanofibers having different average fiber diameters (∼80, ∼240 and ∼650 nm) were achieved by using two different solvent systems and polymer concentrations. ZnO layer about 90 nm, having uniform thickness around the fiber structure, was successfully deposited onto the nylon 6,6 nanofibers. Because of the low deposition temperature utilized (200 °C), ALD process did not deform the polymeric fiber structure, and highly conformal ZnO layer with precise thickness and composition over a large scale were accomplished regardless of the differences in fiber diameters. ZnO shell layer was found to have a polycrystalline nature with hexagonal wurtzite structure. The core-shell nylon 6,6-ZnO nanofiber mats were flexible because of the polymeric core component. Photocatalytic activity of the core-shell nylon 6,6-ZnO nanofiber mats were tested by following the photocatalytic decomposition of rhodamine-B dye. The nylon 6,6-ZnO nanofiber mat, having thinner fiber diameter, has shown better photocatalytic efficiency due to higher surface area of this sample. These nylon 6,6-ZnO nanofiber mats have also shown structural stability and kept their photocatalytic activity for the second cycle test. Our findings suggest that core-shell nylon 6,6-ZnO nanofiber mat can be a very good candidate as a filter material for water purification and organic waste treatment because of their photocatalytic properties along with structural flexibility and stability.

  3. Epitaxial TiO 2/SnO 2 core-shell heterostructure by atomic layer deposition

    KAUST Repository

    Nie, Anmin

    2012-01-01

    Taking TiO 2/SnO 2 core-shell nanowires (NWs) as a model system, we systematically investigate the structure and the morphological evolution of this heterostructure synthesized by atomic layer deposition/epitaxy (ALD/ALE). All characterizations, by X-ray diffraction, high-resolution transmission electron microscopy, selected area electron diffraction and Raman spectra, reveal that single crystalline rutile TiO 2 shells can be epitaxially grown on SnO 2 NWs with an atomically sharp interface at low temperature (250 °C). The growth behavior of the TiO 2 shells highly depends on the surface orientations and the geometrical shape of the core SnO 2 NW cross-section. Atomically smooth surfaces are found for growth on the {110} surface. Rough surfaces develop on {100} surfaces due to (100) - (1 × 3) reconstruction, by introducing steps in the [010] direction as a continuation of {110} facets. Lattice mismatch induces superlattice structures in the TiO 2 shell and misfit dislocations along the interface. Conformal epitaxial growth has been observed for SnO 2 NW cores with an octagonal cross-section ({100} and {110} surfaces). However, for a rectangular core ({101} and {010} surfaces), the shell also derives an octagonal shape from the epitaxial growth, which was explained by a proposed model based on ALD kinetics. The surface steps and defects induced by the lattice mismatch likely lead to improved photoluminescence (PL) performance for the yellow emission. Compared to the pure SnO 2 NWs, the PL spectrum of the core-shell nanostructures exhibits a stronger emission peak, which suggests potential applications in optoelectronics. © The Royal Society of Chemistry 2012.

  4. Probing the N=50 shell gap near $^{78}$Ni

    CERN Multimedia

    Reiter, P; Blazhev, A A; Franchoo, S; Hadinia, B; Raabe, R; Diriken, J V J; Angus, L J

    An experiment is proposed to study the properties of low-lying states close to the N=50 shell gap by single nucleon transfer. The d($^{78}$Zn,p)$\\,^{79}$Zn reaction will be studied using the T-REX silicon-detector array coupled to the MINIBALL $\\gamma$-ray spectrometer. A $^{78}$Zn beam intensity of 5 x 10$^{4}$ pps is expected. The isotope $^{79}$Zn, with Z=30 and N =49, lies two protons above and one neutron below the double-shell closure at $^{78}$Ni. Determination of the single-particle structure of low-lying states in $^{79}$Zn will provide valuable information about the persistence of the N=50 shell gap in this neutron-rich region. In particular the behaviour of the g$_{9/2}$ and d$_{5/2}$ orbitals will be investigated. In total, 27 shifts of beam time are requested. This experiment is envisaged to be the first of a series of measurements on progressively more neutron-rich Zn isotopes.

  5. Fluidized-bed atomic layer deposition reactor for the synthesis of core-shell nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Didden, Arjen P.; Middelkoop, Joost; Krol, Roel van de, E-mail: roel.vandekrol@helmholtzberlin.de [Delft University of Technology, Faculty of Applied Sciences, Department of Chemical Engineering, P.O. Box 5045, 2600 GA Delft (Netherlands); Besling, Wim F. A. [NXP Semiconductors, High Tech Campus 32, 5656 AE Eindhoven (Netherlands); Nanu, Diana E. [Thin Film Factory B.V., Hemma Oddastrjitte 5, 8927 AA Leeuwarden (Netherlands)

    2014-01-15

    The design of a fluidized bed atomic layer deposition (ALD) reactor is described in detail. The reactor consists of three parts that have all been placed in one protective cabinet: precursor dosing, reactor, and residual gas treatment section. In the precursor dosing section, the chemicals needed for the ALD reaction are injected into the carrier gas using different methods for different precursors. The reactor section is designed in such a way that a homogeneous fluidized bed can be obtained with a constant, actively controlled, reactor pressure. Furthermore, no filters are required inside the reactor chamber, minimizing the risk of pressure increase due to fouling. The residual gas treatment section consists of a decomposition furnace to remove residual precursor and a particle filter and is installed to protect the pump. In order to demonstrate the performance of the reactor, SiO{sub 2} particles have been coated with TiO{sub 2} using tetrakis-dimethylamino titanium (TDMAT) and H{sub 2}O as precursors. Experiments with varying pulse times show that saturated growth can be obtained with TDMAT pulse times larger than 600 s. Analysis of the powder with High-Angle Annular Dark-Field Scanning Transmission Electron Microscopy (HAADF-STEM) and energy dispersive X-ray spectroscopy confirmed that after 50 cycles, all SiO{sub 2} particles were coated with a 1.6 nm homogenous shell of TiO{sub 2}.

  6. Unique Challenges Accompany Thick-Shell CdSe/nCdS (n > 10) Nanocrystal Synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Y; Marchuk, K; Abraham, R; Sampat, S; Abraham, R.; Fang, N; Malko, AV; Vela, J

    2011-12-23

    Thick-shell CdSe/nCdS (n {ge} 10) nanocrystals were recently reported that show remarkably suppressed fluorescence intermittency or 'blinking' at the single-particle level as well as slow rates of Auger decay. Unfortunately, whereas CdSe/nCdS nanocrystal synthesis is well-developed up to n {le} 6 CdS monolayers (MLs), reproducible syntheses for n {ge} 10 MLs are less understood. Known procedures sometimes result in homogeneous CdS nucleation instead of heterogeneous, epitaxial CdS nucleation on CdSe, leading to broad and multimodal particle size distributions. Critically, obtained core/shell sizes are often below those desired. This article describes synthetic conditions specific to thick-shell growth (n {ge} 10 and n {ge} 20 MLs) on both small (sub2 nm) and large (>4.5 nm) CdSe cores. We find added secondary amine and low concentration of CdSe cores and molecular precursors give desired core/shell sizes. Amine-induced, partial etching of CdSe cores results in apparent shell-thicknesses slightly beyond those desired, especially for very-thick shells (n {ge} 20 MLs). Thermal ripening and fast precursor injection lead to undesired homogeneous CdS nucleation and incomplete shell growth. Core/shells derived from small CdSe (1.9 nm) have longer PL lifetimes and more pronounced blinking at single-particle level compared with those derived from large CdSe (4.7 nm). We expect our new synthetic approach will lead to a larger throughput of these materials, increasing their availability for fundamental studies and applications.

  7. Isolation and Structural Characterization of a Mackay 55-Metal-Atom Two-Shell Icosahedron of Pseudo-Ih Symmetry, Pd55L12(μ3-CO)20 (L = PR3, R = Isopropyl): Comparative Analysis with Interior Two-Shell Icosahedral Geometries in Capped Three-Shell Pd145, Pt-Centered Four-Shell Pd-Pt M165, and Four-Shell Au133 Nanoclusters.

    Science.gov (United States)

    Erickson, Jeremiah D; Mednikov, Evgueni G; Ivanov, Sergei A; Dahl, Lawrence F

    2016-02-10

    We present the first successful isolation and crystallographic characterization of a Mackay 55-metal-atom two-shell icosahedron, Pd55L12(μ3-CO)20 (L = PPr(i)3) (1). Its two-shell icosahedron of pseudo-Ih symmetry (without isopropyl substituents) enables a structural/bonding comparison with interior 55-metal-atom two-shell icosahedral geometries observed within the multi-shell capped 145-metal-atom three-shell Pd145(CO)72(PEt3)30 and 165-metal-atom four-shell Pt-centered (μ12-Pt)Pd164-xPtx(CO)72(PPh3)20 (x ≈ 7) nanoclusters, and within the recently reported four-shell Au133(SC6H4-p-Bu(t))52 nanocluster. DFT calculations carried out on a Pd55(CO)20(PH3)12 model analogue, with triisopropyl phosphine substituents replaced by H atoms, revealed a positive +0.84 e charge for the entire Pd55 core, with a highly positive second-shell Pd42 surface of +1.93 e.

  8. Wilson lines, Grassmannians and gauge invariant off-shell amplitudes in N=4 SYM

    Energy Technology Data Exchange (ETDEWEB)

    Bork, L.V. [Institute for Theoretical and Experimental Physics,Moscow (Russian Federation); The Center for Fundamental and Applied Research,All-Russia Research Institute of Automatics, Moscow (Russian Federation); Onishchenko, A.I. [Bogoliubov Laboratory of Theoretical Physics,Joint Institute for Nuclear Research, Dubna (Russian Federation); Moscow Institute of Physics and Technology State University,Dolgoprudny (Russian Federation); Skobeltsyn Institute of Nuclear Physics, Moscow State University,Moscow (Russian Federation)

    2017-04-04

    In this paper we consider tree-level gauge invariant off-shell amplitudes (Wilson line form factors) in N=4 SYM. For the off-shell amplitudes with one leg off-shell we present a conjecture for their Grassmannian integral representation in spinor helicity, twistor and momentum twistor parameterizations. The presented conjecture is successfully checked against BCFW results for MHV{sub n}, NMHV{sub 4} and NMHV{sub 5} off-shell amplitudes. We have also verified that our Grassmannian integral representation correctly reproduces soft (on-shell) limit for the off-shell gluon momentum. It is shown that the (deformed) off-shell amplitude expressions could be also obtained using quantum inverse scattering method for auxiliary gl(4|4) super spin chain.

  9. DFT study of Fe-Ni core-shell nanoparticles: stability, catalytic activity, and interaction with carbon atom for single-walled carbon nanotube growth.

    Science.gov (United States)

    Yang, Zhimin; Wang, Qiang; Shan, Xiaoye; Li, Wei-qi; Chen, Guang-hui; Zhu, Hongjun

    2015-02-21

    Metal catalysts play an important role in the nucleation and growth of single-walled carbon nanotubes (SWCNTs). It is essential for probing the nucleation and growth mechanism of SWCNTs to fundamentally understand the properties of the metal catalysts and their interaction with carbon species. In this study, we systematically studied the stability of 13- and 55-atom Fe and Fe-Ni core-shell particles as well as these particles interaction with the carbon atoms using the density functional theory calculations. Icosahedral 13- and 55-atom Fe-Ni core-shell bimetallic particles have higher stability than the corresponding monometallic Fe and Ni particles. Opposite charge transfer (or distribution) in these particles leads to the Fe surface-shell displays a positive charge, while the Ni surface-shell exhibits a negative charge. The opposite charge transfer would induce different chemical activities. Compared with the monometallic Fe and Ni particles, the core-shell bimetallic particles have weaker interaction with C atoms. More importantly, C atoms only prefer staying on the surface of the bimetallic particles. In contrast, C atoms prefer locating into the subsurface of the monometallic particles, which is more likely to form stable metal carbides. The difference of the mono- and bimetallic particles on this issue may result in different nucleation and growth mechanism of SWCNTs. Our findings provide useful insights for the design of bimetallic catalysts and a better understanding nucleation and growth mechanism of SWCNTs.

  10. Atomic structure and thermal stability of Pt-Fe bimetallic nanoparticles: from alloy to core/shell architectures.

    Science.gov (United States)

    Huang, Rao; Wen, Yu-Hua; Shao, Gui-Fang; Sun, Shi-Gang

    2016-06-22

    Bimetallic nanoparticles comprising noble metal and non-noble metal have attracted intense interest over the past few decades due to their low cost and significantly enhanced catalytic performances. In this article, we have explored the atomic structure and thermal stability of Pt-Fe alloy and core-shell nanoparticles by molecular dynamics simulations. In Fe-core/Pt-shell nanoparticles, Fe with three different structures, i.e., body-centered cubic (bcc), face-centered cubic (fcc), and amorphous phases, has been considered. Our results show that Pt-Fe alloy is the most stable configuration among the four types of bimetallic nanoparticles. It has been discovered that the amorphous Fe cannot stably exist in the core and preferentially transforms into the fcc phase. The phase transition from bcc to hexagonal close packed (hcp) has also been observed in bcc-Fe-core/Pt-shell nanoparticles. In contrast, Fe with the fcc structure is the most preferred as the core component. These findings are helpful for understanding the structure-property relationships of Pt-Fe bimetallic nanoparticles, and are also of significance to the synthesis and application of noble metal based nanoparticle catalysts.

  11. Quantum well engineering in InGaN/GaN core-shell nanorod structures

    Science.gov (United States)

    Bryce, C. G.; Le Boulbar, E. D.; Coulon, P.-M.; Edwards, P. R.; Gîrgel, I.; Allsopp, D. W. E.; Shields, P. A.; Martin, R. W.

    2017-10-01

    We report the ability to control relative InN incorporation in InGaN/GaN quantum wells (QWs) grown on the semi-polar and non-polar facets of a core-shell nanorod LED structure by varying the growth conditions. A study of the cathodoluminescence emitted from series of structures with different growth temperatures and pressures for the InGaN QW layer revealed that increasing the growth pressure had the effect of increasing InN incorporation on the semi-polar facets, while increasing the growth temperature improves the uniformity of light emission from the QWs on the non-polar facets.

  12. On the atomic-number similarity of the binding energies of electrons in filled shells of elements of the periodic table

    Energy Technology Data Exchange (ETDEWEB)

    Karpov, V. Ya. [Bruk Institute of Electronic Control Machines (Russian Federation); Shpatakovskaya, G. V., E-mail: shpagalya@yandex.ru [Russian Academy of Sciences, Keldysh Institute of Applied Mathematics (Russian Federation)

    2017-03-15

    An expression for the binding energies of electrons in the ground state of an atom is derived on the basis of the Bohr–Sommerfeld quantization rule within the Thomas–Fermi model. The validity of this relation for all elements from neon to uranium is tested within a more perfect quantum-mechanical model with and without the inclusion of relativistic effects, as well as with experimental binding energies. As a result, the ordering of electronic levels in filled atomic shells is established, manifested in an approximate atomic-number similarity. It is proposed to use this scaling property to analytically estimate the binding energies of electrons in an arbitrary atom.

  13. Comprehensive analyses of core–shell InGaN/GaN single nanowire photodiodes

    Science.gov (United States)

    Zhang, H.; Guan, N.; Piazza, V.; Kapoor, A.; Bougerol, C.; Julien, F. H.; Babichev, A. V.; Cavassilas, N.; Bescond, M.; Michelini, F.; Foldyna, M.; Gautier, E.; Durand, C.; Eymery, J.; Tchernycheva, M.

    2017-12-01

    Single nitride nanowire core/shell n-p photodetectors are fabricated and analyzed. Nanowires consisting of an n-doped GaN stem, a radial InGaN/GaN multiple quantum well system and a p-doped GaN external shell were grown by catalyst-free metal–organic vapour phase epitaxy on sapphire substrates. Single nanowires were dispersed and the core and the shell regions were contacted with a metal and an ITO deposition, respectively, defined using electron beam lithography. The single wire photodiodes present a response in the visible to UV spectral range under zero external bias. The detector operation speed has been analyzed under different bias conditions. Under zero bias, the  ‑3 dB cut-off frequency is ~200 Hz for small light modulations. The current generation was modeled using non-equilibrium Green function formalism, which evidenced the importance of phonon scattering for carrier extraction from the quantum wells.

  14. Slurry analysis of cadmium and copper collected on 11-mercaptoundecanoic acid modified TiO{sub 2} core-Au shell nanoparticles by flame atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Gunduz, S. [Istanbul Technical University, Faculty of Science and Letters, Department of Chemistry, 34469 Maslak-Istanbul (Turkey); Akman, S., E-mail: akmans@itu.edu.tr [Istanbul Technical University, Faculty of Science and Letters, Department of Chemistry, 34469 Maslak-Istanbul (Turkey); Kahraman, M. [Yeditepe University, Faculty of Engineering and Architecture, Department of Genetics and Bioengineering, 34755 Kayisdagi-Istanbul (Turkey)

    2011-02-15

    Separation/preconcentration of copper and cadmium using TiO{sub 2} core-Au shell nanoparticles modified with 11-mercaptoundecanoic acid and their slurry analysis by flame atomic absorption spectrometry were described. For this purpose, at first, titanium dioxide nanoparticles were coated with gold shell by reducing the chloroauric acid with sodium borohydride and then modified with 11-mercaptoundecanoic acid. The characterization of modified nanoparticles was performed using ultra-violet spectroscopy and dynamic light scattering. Copper and cadmium were then collected on the prepared sorbent by batch method. The solid phase loaded with the analytes was separated by centrifugation and the supernatant was removed. Finally, the precipitate was slurried and directly aspirated into the flame for the determination of analytes. Thus, elution step and its all drawbacks were eliminated. The effects of pH, amount of sorbent, slurry volume, sample volume and diverse ions on the recovery were investigated. After optimization of experimental parameters, the analytes in different certified reference materials and spiked water samples were quantitatively recovered with 5% RSD. The analytes were enriched up to 20-fold. Limits of detection (N = 10, 3{sigma}) for copper and cadmium were 0.28 and 0.15 ng mL{sup -1}, respectively.

  15. Preparation of n-tetradecane-containing microcapsules with different shell materials by phase separation method

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Rui [Department of Chemical Engineering, Tsinghua University, Beijing (China); Zhang, Yan; Zhang, Qingwu [Department of Chemical Engineering, China University of Mining and Technology, Beijing (China); Wang, Xin; Zhang, Yinping [Department of Building Science, Tsinghua University, Beijing (China)

    2009-10-15

    Microcapsules for thermal energy storage and heat-transfer enhancement have attracted great attention. Microencapsulation of n-tetradecane with different shell materials was carried out by phase separation method in this paper. Acrylonitrile-styrene copolymer (AS), acrylonitrile-styrene-butadiene copolymer (ABS) and polycarbonate (PC) were used as the shell materials. The structures, morphologies and the thermal capacities of the microcapsules were characterized using Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and differential scanning calorimetry (DSC). The ternary phase diagrams showed the potential encapsulation capabilities of the three shell materials. The effects of the shell/core ratio and the molecular weight of the shell material on the encapsulation efficiency and the thermal capacity of the microcapsules were also discussed. Microcapsules with melting enthalpy > 100 J/g, encapsulation efficiency 66-75%, particle size<1 {mu}m were obtained for all three shell materials. (author)

  16. Optical oscillator strengths of the valence-shell excitations of atoms and molecules determined by the dipole ( γ,γ) method

    Science.gov (United States)

    Xu, Long-Quan; Liu, Ya-Wei; Xu, Xin; Ni, Dong-Dong; Yang, Ke; Zhu, Lin-Fan

    2017-07-01

    The dipole (γ,γ) method, which is the inelastic X-ray scattering operated at a negligibly small momentum transfer, has been developed to determine the absolute optical oscillator strengths of the valence-shell excitations of atoms and molecules. This new method is free from the line saturation effect, and its Bethe-Born conversion factor varies much more slowly with the excitation energy than that of the dipole (e, e) method. Thus the dipole (γ,γ) method provides a reliable approach to obtain the benchmark optical oscillator strengths of the valence-shell excitations for gaseous atoms and molecules. In this paper, we give a review of the dipole (γ,γ) method and some recent measurements of absolute optical oscillator strengths of gaseous atoms and molecules. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

  17. Atomic masses above /sup 146/Gd derived from a shell model analysis of high spin states

    CERN Document Server

    Blomqvist, J; Daly, P J; Kleinheinz, P

    1981-01-01

    Using extensive spectroscopic data on high spin states involving aligned valence nucleons in very neutron deficient nuclei above /sup 146/Gd the authors have derived the ground state masses of /sup 146 /Gd, /sup 147,148/Tb, /sup 148,149,150/Dy, /sup 149,150,151/Ho, and /sup 150,151,152/Er from a shell model analysis. The mass values show a pronounced irregularity in the two-proton separation energies at /sup 146/Gd. The results also link nine alpha -decay chains to the known masses. (0 refs).

  18. Fabrication and photoelectrochemical properties of silicon nanowires/g-C{sub 3}N{sub 4} core/shell arrays

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Zhen [Institute of Electronic Paper Displays, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Institute of Advanced Materials, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Ma, Ge [Institute of Electronic Paper Displays, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Chen, Zhihong, E-mail: chenzhihong1227@sina.com [Shenyang Institute of Automation, Guangzhou, Chinese Academy of Sciences, Guangzhou 511458 (China); Zhang, Yongguang [Research Institute for Energy Equipment Materials, Tianjin Key Laboratory of Materials Laminating Fabrication and Interface Control Technology, Hebei University of Technology, Tianjin 300130 (China); Zhang, Zhe [Institute of Electronic Paper Displays, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Gao, Jinwei [Institute of Advanced Materials, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Meng, Qingguo; Yuan, Mingzhe [Shenyang Institute of Automation, Guangzhou, Chinese Academy of Sciences, Guangzhou 511458 (China); Wang, Xin, E-mail: wangxin@scnu.edu.cn [Institute of Electronic Paper Displays, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Liu, Jun-ming [Institute of Advanced Materials, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China); Zhou, Guofu [Institute of Electronic Paper Displays, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province (China)

    2017-02-28

    Highlights: • A novel Silicon Nanowires/g-C{sub 3}N{sub 4} core/shell arrays photoanode prepared by a mild and inexpensive metal-catalyzed electroless etching (MCEE) process followed by liquid atomic layer deposition (LALD), wiich is a facile and low-cost method. • In comparison with FTO/g-C{sub 3}N{sub 4} and Si NWs samples, the Si NWs/g-C{sub 3}N{sub 4} samples showed significantly enhanced photocurrent which could be attributed to the SiNWs-based core/shell structure. • A systematical PEC mechanism of the Si NWs/g-C{sub 3}N{sub 4} was proposed is this manuscript. - Abstract: A photoelectrochemical (PEC) cell made of metal-free carbon nitride (g-C{sub 3}N{sub 4}) @siliconnanowire(Si NW) arrays (denoted as Si NWs/g-C{sub 3}N{sub 4}) is presented in this work. The as-prepared photoelectrodes with different mass contents of g-C{sub 3}N{sub 4} have been synthesized via a metal-catalyzed electroless etching (MCEE), liquid atomic layer deposition (LALD) and annealing methods. The amount of g-C{sub 3}N{sub 4} on the Si NW arrays can be controlled by tuning the concentration of the cyanamide solution used in the LALD procedure. The dense and vertically aligned Si NWs/g-C{sub 3}N{sub 4} core/shell nanostructures were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray diffraction (XRD). In comparison with FTO/g-C{sub 3}N{sub 4} and Si NW samples, the Si NWs/g-C{sub 3}N{sub 4} samples showed significantly enhanced photocurrents over the entire potential sweep range. Electrochemical impedance spectroscopy (EIS) was conducted to investigate the properties of the charge transfer process, and the results indicated that the enhanced PEC performance may be due to the increased photo-generated interfacial charge transfer between the Si NWs and g-C{sub 3}N{sub 4}. The photocurrent density reached 45 μA/cm{sup 2} under 100 mW/cm{sup 2} (AM 1.5 G) illumination at 0 V (vs. Pt) in neutral Na{sub 2}SO{sub 4} solution (pH ∼ 7

  19. Local atomic structure of solid solutions with overlapping shells by EXAFS: The regularization method

    Energy Technology Data Exchange (ETDEWEB)

    Babanov, Yu.A., E-mail: babanov@imp.uran.ru [M.N. Miheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation); Ponomarev, D.A.; Ustinov, V.V. [M.N. Miheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation); Baranov, A.N. [M.V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Zubavichus, Ya.V. [Russian Research Centre “Kurchatov Institute”, 123182 Moscow (Russian Federation)

    2016-08-15

    Highlights: • A method for determining bond lengths from combined EXAFS spectra for solid oxide solutions is proposed. • We have demonstrated a high resolution in r-space of close spacing atoms in the Periodical Table. • These results were obtained without any assumptions concerning interatomic distances for multi-component systems. • Coordinates ions for the solid solution with rock salt structure are determined. - Abstract: The regularization method of solving ill-posed problem is used to determine five partial interatomic distances on the basis of combined two EXAFS spectra. Mathematical algorithm and experimental results of the EXAFS analysis for Ni{sub c}Zn{sub 1−c}O (c = 0.0, 0.3, 0.5, 0.7, 1.0) solid solutions with the rock salt (rs) crystal structure are discussed. Samples were synthesized from the binary oxide powders at pressure of 7.7 GPa and temperatures 1450–1650 K. The measurements were performed using synchrotron facilities (Russian Research Centre “Kurchatov Institute”, Moscow). The Ni and Zn K absorption spectra were recorded in transmission mode under room temperature. It is shown, the ideal rock salt lattice is distorted and long-range order exists only in the average (Vegard law). In order to determine coordinates ions for the solid solution with rock salt structure, we used the Pauling model. The simulation is performed for 343,000 cluster of oxide ions. The distribution functions for ions (Ni−O, Ni−Ni, Ni−Zn, Zn−Zn, Zn−O, O−O) depending on the distance are obtained. The width of the Gaussian distribution function is determined by the difference of the radii of the metal ions. The results are consistent with the data both X-ray diffraction and the EXAFS spectroscopy.

  20. Luminescence emission from nonpolar Al0.3Ga0.7N/GaN core-shell and core-multi-shell nanowires

    Science.gov (United States)

    Namvari, E.; Shojaei, S.; Asgari, A.

    2017-12-01

    In the present work, we theoretically study the possibility of luminescence emission from two systems of nonpolar Al0.3Ga0.7N/GaN Core-shell and core-multi-shell c-axis oriented nanowires with hexagonal cross section. To obtain energy levels and wave functions through the solution of Schrodinger-Poisson equations, numerical Self-consistent procedure has been employed. N-type doping has been considered to investigate the two-dimensional electron gas formation and its effect on luminescence. The detailed analysis of the results as a function of the various structural parameters has been carried out. The results presents an examination of the band to band luminescence feature and its changes with involved parameters. We found that the size of the system determines the feature of luminescence emission. As main finding, our calculations show that the intensity of luminescence spectrum in facet to facet route of NW cross section is significant than that of corner to corner route. In addition, no shift of the peak position is observed with changing the amount of doping. Our numerical calculations give more insights into the luminescence emission of nonpolar GaN/AlGaN core/shell nanowire and have many implications in experiment.

  1. Shell evolution at N = 20 in the constrained relativistic mean field approach

    Science.gov (United States)

    SUN, Bao-Hua; LI, Jian

    2008-11-01

    The shell evolution at N = 20, a disappearing neutron magic number observed experimentally in very neutron-rich nuclides, is investigated in the constrained relativistic mean field (RMF) theory. The trend of the shell closure observed experimentally towards the neutron drip-line can be reproduced. The predicted two-neutron separation energies, neutron shell gap energies and deformation parameters of ground states are shown as well. These results are compared with the recent Hartree-Fock-Bogliubov (HFB-14) model and the available experimental data. The perspective towards a better understanding of the shell evolution is discussed. Supported by Major State Basic Research Developing Program (2007CB815000), and National Natural Science Foundation of China (10435010, 10775004, 10221003)

  2. Potential of Transition Metal Atoms Embedded in Buckled Monolayer g-C3N4 as Single-Atom Catalysts

    KAUST Repository

    Li, Shu-Long

    2017-10-27

    We use first-principles calculations to systematically explore the potential of transition metal atoms (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, and Au) embedded in buckled monolayer g-C3N4 as single-atom catalysts. We show that clustering of Sc and Ti on g-C3N4 is thermodynamically impeded and that V, Cr, Mn, and Cu are much less susceptible to clustering than the other TM atoms under investigation. Strong bonding of the transition metal atoms in the cavities of g-C3N4 and high diffusion barriers together are responsible for single-atom fixation. Analysis of the CO oxidation process indicates that embedding of Cr and Mn in g-C3N4 gives rise to promising single-atom catalysts at low temperature.

  3. P-SHELL {Lambda} HYPERNUCLEI AND THE {Lambda}N EFFECTIVE INTERACTION

    Energy Technology Data Exchange (ETDEWEB)

    MILLENER,D.J.

    2000-12-02

    Empirical data on the spectra of light hypernuclei, especially the data from recent {gamma}-ray experiments, is used to constrain the parameters which govern the P{sub N}s{sub {Lambda}} and p{sub N}p{sub {Lambda}}j two-body matrix elements that enter into shell-model calculations.

  4. The rate coefficients for the processes of (n - n')-mixing in collisions of Rydberg atoms H*(n) with H(1s) atoms

    Energy Technology Data Exchange (ETDEWEB)

    Mihajlov, A A [Institute of Physics, PO Box 57, 11001 Belgrade (Serbia and Montenegro); Ignjatovic, Lj M [Institute of Physics, PO Box 57, 11001 Belgrade (Serbia and Montenegro); Djuric, Z [Silvaco Data Systems, Compass Point, St Ives PE27 5JL (United Kingdom); Ljepojevic, N N [Silvaco Data Systems, Compass Point, St Ives PE27 5JL (United Kingdom)

    2004-11-28

    This paper presents the results of semi-classical calculations of rate coefficients of (n - n')-mixing processes in collisions of Rydberg atoms H*(n) with H(1s) atoms. These processes have been modelled by the mechanism of the resonant energy exchange within the electron component of the H*(n) + H collisional system. The calculations of the rate coefficients, based on this model, were performed for the series of principal quantum numbers, n and n', and atomic, T{sub a}, and electronic, T{sub e}, temperatures. It was shown that these processes can be of significant influence on the populations of Rydberg atoms in weakly ionized plasmas (ionization degree {approx}<10{sup -4}), and therefore have to be included in appropriate models of such plasmas.

  5. Enhanced thermoelectric transport in modulation-doped GaN/AlGaN core/shell nanowires.

    Science.gov (United States)

    Song, Erdong; Li, Qiming; Swartzentruber, Brian; Pan, Wei; Wang, George T; Martinez, Julio A

    2016-01-08

    The thermoelectric properties of unintentionally n-doped core GaN/AlGaN core/shell N-face nanowires are reported. We found that the temperature dependence of the electrical conductivity is consistent with thermally activated carriers with two distinctive donor energies. The Seebeck coefficient of GaN/AlGaN nanowires is more than twice as large as that for the GaN nanowires alone. However, an outer layer of GaN deposited onto the GaN/AlGaN core/shell nanowires decreases the Seebeck coefficient at room temperature, while the temperature dependence of the electrical conductivity remains the same. We attribute these observations to the formation of an electron gas channel within the heavily-doped GaN core of the GaN/AlGaN nanowires. The room-temperature thermoelectric power factor for the GaN/AlGaN nanowires can be four times higher than the GaN nanowires. Selective doping in bandgap engineered core/shell nanowires is proposed for enhancing the thermoelectric power.

  6. Following electron impact excitations of Rn, Ra, Th, U and Pu single atom L sub-shells ionization cross section calculations by using Lotz’s equation

    Energy Technology Data Exchange (ETDEWEB)

    Ayinol, M., E-mail: aydinolm@dicle.edu.tr [Dicle University, Faculty of Science, Department of Physics, Diyarbakir, 21280 Turkey (Turkey); Aydeniz, D., E-mail: daydeniz@hotmail.com [Artuklu University, At Rectorate of Artuklu University, Mardin (Turkey)

    2016-03-25

    L shell ionization cross section and L{sub i} subshells ionization cross sections of Rn, Ra, Th, U, Pu atoms calculated. For each of atoms, ten different electron impact energy values (E{sub o}) are used. Calculations carried out by using Lotz equation in Matlab. First, calculations done for non-relativistic case by using non-relativistic Lotz equation then repeated with relativistic Lotz equation. σ{sub L} total and σ{sub Li}(i = 1,2,3) subshells ionisation cross section values obtained for E{sub o} values in the energy range of E{sub Li} atom. Starting almost from E{sub o} = E{sub Li} values of the each sub shell ionization threshold energy, σ{sub L} total and σ{sub Li} (i = 1,2,3) are increasing rapidly with E{sub o}. For a fixed E{sub o} = 3.E{sub Li}), while Z increases from 86atom impact studies.

  7. Study of N = 16 Shell Closure Within RMF+BCS Approach

    Science.gov (United States)

    Saxena, G.; Kaushik, M.

    We have employed RMF+BCS (relativistic mean-field plus BCS) ap- proach to study behaviour of N = 16 shell closure with the help of ground state properties of even-even nuclei. Our present investigations include sin- gle particle energies, deformations, separation energies as well as pairing energies etc. As per recent experiments showing neutron magicity at N = 16 for O isotopes, our results indicate a strong shell closure at N = 16 in 22C and 24O. A large gap is found in between neutron 2s1/2 and 1d3/2 states for 22C and 24O. These results are also supported by a sharp increase in two neutron shell gap, zero pairing energy contribution and with excellent agreement with available experimental data. Moreover, our calculations of N = 16 isotones are however found at variance for higher Z isotones like 36Ca, where experiments show high lying first excited 2+ state indicating shell closure at N = 16.

  8. The effect of thermal treatment on the atomic structure of PtCu core-shell nanoparticles in PtCu/C electrocatalysts

    Science.gov (United States)

    Shemet, D. B.; Pryadchenko, V. V.; Srabionyan, V. V.; Belenov, S. B.; Mikheykin, A. S.; Avakyan, L. A.; Guterman, V. E.; Bugaev, L. A.

    2017-05-01

    Nanocatalysts PtCu/C with core-shell structure of PtCu nanoparticles were synthesized by the method of sequential chemical reduction of Cu2+ and Pt(IV) in carbon suspension, prepared on the basis of ethylene glycol-water solvent. The characterization of atomic structure of “as prepared” PtCu nanoparticles and obtained after thermal treatment at 350 °C was performed by Pt L 3- and Cu K-edge extended X-ray absorption fine structure (EXAFS), complemented with TEM and XRD studies. The processing of EXAFS was performed by the technique that enables to reduce the effect of correlations among fitting parameters on the determined values of local structure parameters of the absorbing atoms, which have the nearest surrounding consisting both Pt and Cu atoms.

  9. A double copy for N=2 supergravity: a linearised tale told on-shell

    Energy Technology Data Exchange (ETDEWEB)

    Cardoso, G.L.; Nagy, S.; Nampuri, S. [Center for Mathematical Analysis, Geometry and Dynamical Systems, Department of Mathematics, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal)

    2016-10-24

    We construct the on-shell double copy dictionary for linearised four-dimensional N=2 supergravity coupled to one vector multiplet with a quadratic prepotential. We apply this dictionary to the weak-field approximation of dyonic BPS black holes in this theory.

  10. Some Inequalities for Multiple Integrals on the n-Dimensional Ellipsoid, Spherical Shell, and Ball

    Directory of Open Access Journals (Sweden)

    Yan Sun

    2013-01-01

    Full Text Available The authors establish some new inequalities of Pólya type for multiple integrals on the n-dimensional ellipsoid, spherical shell, and ball, in terms of bounds of the higher order derivatives of the integrands. These results generalize the main result in the paper by Feng Qi, Inequalities for a multiple integral, Acta Mathematica Hungarica (1999.

  11. Spectroscopy at the N=20 shell closure: the {beta}-decay of {sup 32}Mg

    Energy Technology Data Exchange (ETDEWEB)

    Grevy, S. E-mail: grevy@in2p3.fr; Pietri, S.; Achouri, L.; Angelique, J.C.; Baumann, P.; Borcea, C.; Buta, A.; Catford, W.; Courtin, S.; Daugas, J.M.; De Oliveira, F.; Dessagne, P.; Dlouhy, Z.; Mueller, D. Guillemaud; Hadeler, R.; Knipper, A.; Lecolley, F.R.; Lecouey, J.L.; Lewitowicz, M.; Lienard, E.; Miehe, C.; Mrazek, J.; Negoita, F.; Orr, N.A.; Penionzhkevich, Y.; Peter, J.; Poirier, E.; Stanoiu, M.; Tarasov, O.; Timis, C.; Walter, G

    2004-04-05

    The shell closure N=20 has been studied by {beta}-decay spectroscopy experiment performed at the GANIL facility. The experimental setup is described and first results on the beta-decay of {sup 32}Mg are presented. The extracted level scheme of {sup 32}Al is compared to Shell Model calculations and discussed in the light of the structural changes observed for the nuclei of the so-called island of inversion. Finally, neutron time-of-flight spectrum from the {beta}-delayed neutron decay of {sup 32}Mg is presented.

  12. Homoepitaxial n-core: p-shell gallium nitride nanowires: HVPE overgrowth on MBE nanowires.

    Science.gov (United States)

    Sanders, Aric; Blanchard, Paul; Bertness, Kris; Brubaker, Matthew; Dodson, Christopher; Harvey, Todd; Herrero, Andrew; Rourke, Devin; Schlager, John; Sanford, Norman; Chiaramonti, Ann N; Davydov, Albert; Motayed, Abhishek; Tsvetkov, Denis

    2011-11-18

    We present the homoepitaxial growth of p-type, magnesium doped gallium nitride shells by use of halide vapor phase epitaxy (HVPE) on n-type gallium nitride nanowires grown by plasma-assisted molecular beam epitaxy (MBE). Scanning electron microscopy shows clear dopant contrast between the core and shell of the nanowire. The growth of magnesium doped nanowire shells shows little or no effect on the lattice parameters of the underlying nanowires, as measured by x-ray diffraction (XRD). Photoluminescence measurements of the nanowires show the appearance of sub-bandgap features in the blue and the ultraviolet, indicating the presence of acceptors. Finally, electrical measurements confirm the presence of electrically active holes in the nanowires.

  13. Nanoscopic Insights into InGaN/GaN Core-Shell Nanorods: Structure, Composition, and Luminescence.

    Science.gov (United States)

    Müller, Marcus; Veit, Peter; Krause, Florian F; Schimpke, Tilman; Metzner, Sebastian; Bertram, Frank; Mehrtens, Thorsten; Müller-Caspary, Knut; Avramescu, Adrian; Strassburg, Martin; Rosenauer, Andreas; Christen, Jürgen

    2016-09-14

    Nitride-based three-dimensional core-shell nanorods (NRs) are promising candidates for the achievement of highly efficient optoelectronic devices. For a detailed understanding of the complex core-shell layer structure of InGaN/GaN NRs, a systematic determination and correlation of the structural, compositional, and optical properties on a nanometer-scale is essential. In particular, the combination of low-temperature cathodoluminescence (CL) spectroscopy directly performed in a scanning transmission electron microscope (STEM), and quantitative high-angle annular dark field imaging enables a comprehensive study of the nanoscopic attributes of the individual shell layers. The investigated InGaN/GaN core-shell NRs, which were grown by metal-organic vapor-phase epitaxy using selective-area growth exhibit an exceptionally low density of extended defects. Using highly spatially resolved CL mapping of single NRs performed in cross-section, we give a direct insight into the optical properties of the individual core-shell layers. Most interesting, we observe a red shift of the InGaN single quantum well from 410 to 471 nm along the nonpolar side wall. Quantitative STEM analysis of the active region reveals an increasing thickness of the single quantum well (SQW) from 6 to 13 nm, accompanied by a slight increase of the indium concentration along the nonpolar side wall from 11% to 13%. Both effects, the increased quantum-well thickness and the higher indium incorporation, are responsible for the observed energetic shift of the InGaN SQW luminescence. Furthermore, compositional mappings of the InGaN quantum well reveal the formation of locally indium rich regions with several nanometers in size, leading to potential fluctuations in the InGaN SQW energy landscape. This is directly evidenced by nanometer-scale resolved CL mappings that show strong localization effects of the excitonic SQW emission.

  14. GaN nanowire tips for nanoscale atomic force microscopy

    Science.gov (United States)

    Behzadirad, Mahmoud; Nami, Mohsen; Rishinaramagalam, Ashwin K.; Feezell, Daniel F.; Busani, Tito

    2017-05-01

    Imaging of high-aspect-ratio nanostructures with sharp edges and straight walls in nanoscale metrology by atomic force microscopy (AFM) has been challenging due to the mechanical properties and conical geometry of the majority of available commercial tips. Here we report on the fabrication of GaN probes for nanoscale metrology of high-aspect-ratio structures to enhance the resolution of AFM imaging and improve the durability of AFM tips. GaN nanowires were fabricated using bottom-up and top-down techniques and bonded to Si cantilevers to scan vertical trenches on Si substrates. Over several scans, the GaN probes demonstrated excellent durability while scanning uneven structures and showed resolution enhancements in topography images, independent of scan direction, compared to commercial Si tips.

  15. Beta-decay studies at the N=28 shell closure

    Energy Technology Data Exchange (ETDEWEB)

    Grevy, S. E-mail: grevy@in2p3.fr; Mrazek, J.; Angelique, J.C.; Baumann, P.; Borcea, C.; Buta, A.; Canchel, G.; Catford, W.; Courtin, S.; Daugas, J.M.; De Oliveira, F.; Dessagne, P.; Dlouhy, Z.; Knipper, A.; Kratz, K.L.; Lecolley, F.R.; Lecouey, J.L.; Lehrsenneau, G.; Lewitowicz, M.; Lienard, E.; Lukianov, S.; Marechal, F.; Miehe, C.; Negoita, F.; Orr, N.A.; Pantelica, D.; Penionzhkevich, Y.; Peter, J.; Pfeiffer, B.; Pietri, S.; Poirier, E.; Sorlin, O.; Stanoiu, M.; Stodel, C.; Timis, C

    2003-07-14

    First results on a {beta}-{gamma} decay spectroscopy experiment of nuclei in the region of N=28 are reported. New {beta} half-lives for nuclei from Mg to Ar have been extracted. For the heavier ones, the new periods of {sup 48}Ar and {sup 47}Cl are of importance in the understanding of solar abundance ratio (({sup 48}Ca)/({sup 46}Ca)). The measured half-lives of Si isotopes have been extended from N=25 to N=28 and are discussed in the light of possible deformation occuring in this region. Finally, preliminary spectroscopy of {sup 45}Ar is also reported.

  16. Nuclear shell effects in neutron-rich nuclei around N=20 and N=32,34

    CERN Document Server

    Seidlitz, M

    Nuclear shell effects in neutron-rich nuclei around N=20 and N=32,34 were studied by means of reduced transition probabilities, i.e. B(E2) and B(M1) values. To this end a series of Coulomb-excitation experiments, employing radioactive 31Mg and 29,30Na beams, as well as a precise lifetime experiment of excited states in 56Cr were performed. The collective properties of excited states of 31Mg were the subject of a Coulomb-excitation experiment at REX-ISOLDE, CERN, employing a radioactive 31Mg beam at a beam energy of 3.0 MeV/u. The beam intensity amounted to 3000 ions/s on average. The highly efficient MINIBALL setup was employed, consisting of eight HPGe cluster detectors for gamma-ray detection and a segmented Si-detector for coincident particle detection. The level scheme of 31Mg was extended. Spin and parity assignment of the observed 945 keV state yielded 5/2+ and its de-excitation is dominated by a strong collective M1 transition. Comparison of the transition probabilities of 30,31,32Mg establishes that f...

  17. Off-shell N=2 linear multiplets in five dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Ozkan, Mehmet [Department of Physics, Istanbul Technical University,Maslak 34469 Istanbul (Turkey)

    2016-11-25

    We present a superconformal tensor calculus for an arbitrary number of five dimensional N=2 linear multiplets. We also demonstrate how to construct higher derivative invariants, and produce higher order supersymmetric off-diagonal models. Finally, we show the procedure required for the derivation of the supersymmetric completion of the non-Abelian F{sup 4} action.

  18. High-precision mass measurements of nickel, copper, and gallium isotopes and the purported shell closure at N=40

    Energy Technology Data Exchange (ETDEWEB)

    Guenaut, C.; Audi, G. [CSNSM-IN2P3-CNRS, 91405 Orsay-Campus (France); Beck, D. [GSI, Planckstrasse 1, 64291 Darmstadt (Germany)] (and others)

    2007-01-15

    High-precision mass measurement of more than thirty neutron-rich nuclides around the Z=28 closed proton shell were performed with the triple-trap mass spectrometer ISOLTRAP at ISOLDE/CERN to address the question of a possible neutron shell closure at N=40. The results for {sup 57,60,64-69}Ni, {sup 65-74,76}Cu (Z=29), and {sup 63-65,68-78}Ga (Z=31), have a relative uncertainty of the order of 10{sup -8}. In particular, the masses of {sup 72-74,76}Cu have been measured for the first time. We analyse the resulting mass surface for signs of magicity, comparing the behavior of N=40 to that of known magic numbers and to mid-shell behavior. Contrary to nuclear spectroscopy studies, no indications of a shell or sub-shell closure are found for N=40. (authors)

  19. Four shells atomic model to computer the counting efficiency of electron-capture nuclides; Modelo de cuatro capas para calcular la eficiencia de deteccion en nucleidos que se desintegran por captura electronica pura

    Energy Technology Data Exchange (ETDEWEB)

    Grau Malonda, A.; Fernandez Martinez, A.

    1985-07-01

    The present paper develops a four-shells atomic model in order to obtain the efficiency of detection in liquid scintillation courting, Mathematical expressions are given to calculate the probabilities of the 229 different atomic rearrangements so as the corresponding effective energies. This new model will permit the study of the influence of the different parameters upon the counting efficiency for nuclides of high atomic number. (Author) 7 refs.

  20. Algebraic tools for dealing with the atomic shell model. I. Wavefunctions and integrals for hydrogen-like ions

    Science.gov (United States)

    Surzhykov, Andrey; Koval, Peter; Fritzsche, Stephan

    2005-01-01

    Today, the 'hydrogen atom model' is known to play its role not only in teaching the basic elements of quantum mechanics but also for building up effective theories in atomic and molecular physics, quantum optics, plasma physics, or even in the design of semiconductor devices. Therefore, the analytical as well as numerical solutions of the hydrogen-like ions are frequently required both, for analyzing experimental data and for carrying out quite advanced theoretical studies. In order to support a fast and consistent access to these (Coulomb-field) solutions, here we present the DIRAC program which has been developed originally for studying the properties and dynamical behavior of the (hydrogen-like) ions. In the present version, a set of MAPLE procedures is provided for the Coulomb wave and Green's functions by applying the (wave) equations from both, the nonrelativistic and relativistic theory. Apart from the interactive access to these functions, moreover, a number of radial integrals are also implemented in the DIRAC program which may help the user to construct transition amplitudes and cross sections as they occur frequently in the theory of ion-atom and ion-photon collisions. Program summaryTitle of program:DIRAC Catalogue number: ADUQ Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADUQ Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: None Computer for which the program is designed and has been tested: All computers with a license of the computer algebra package MAPLE [1] Program language used: Maple 8 and 9 No. of lines in distributed program, including test data, etc.:2186 No. of bytes in distributed program, including test data, etc.: 162 591 Distribution format: tar gzip file CPC Program Library subprograms required: None Nature of the physical problem: Analytical solutions of the hydrogen atom are widely used in very different fields of physics [2,3]. Despite of the rather simple structure

  1. δ(15)N Values in Crassostrea virginica Shells Provides Early Direct Evidence for Nitrogen Loading to Chesapeake Bay.

    Science.gov (United States)

    Black, H D; Andrus, C F T; Lambert, W J; Rick, T C; Gillikin, D P

    2017-03-10

    Crassostrea virginica is one of the most common estuarine bivalves in the United States' east coast and is frequently found in archaeological sites and sub-fossil deposits. Although there have been several sclerochronological studies on stable carbon and oxygen isotopes in the shells of this species, less is known about δ(15)N values within their shells, which could be a useful paleoenvironmental proxy to assess estuarine nitrogen dynamics. Modern C. virginica samples were collected in Chesapeake Bay for comparison with archaeological shells from nearby sites ranging in age from ~100 to 3,200 years old. Left valves were sampled by milling the hinge area and the resulting powder was analyzed for %N and δ(15)N values. Comparison of δ(15)N values between C. virginica shells shows relatively constant values from ~1250 BC to ~1800 AD. After ~1800 AD, there are rapid increases in (15)N enrichment in the shells, which continue to increase in value up to the modern shell values. The increase in δ(15)N values is evidence of early anthropogenic impact in Chesapeake Bay. These results corroborate the observation that coastal nitrogen pollution occurred earlier than the 19th century and support the use of oyster shell δ(15)N values as a useful environmental proxy.

  2. δ15N Values in Crassostrea virginica Shells Provides Early Direct Evidence for Nitrogen Loading to Chesapeake Bay

    Science.gov (United States)

    Black, H. D.; Andrus, C. F. T.; Lambert, W. J.; Rick, T. C.; Gillikin, D. P.

    2017-01-01

    Crassostrea virginica is one of the most common estuarine bivalves in the United States’ east coast and is frequently found in archaeological sites and sub-fossil deposits. Although there have been several sclerochronological studies on stable carbon and oxygen isotopes in the shells of this species, less is known about δ15N values within their shells, which could be a useful paleoenvironmental proxy to assess estuarine nitrogen dynamics. Modern C. virginica samples were collected in Chesapeake Bay for comparison with archaeological shells from nearby sites ranging in age from ~100 to 3,200 years old. Left valves were sampled by milling the hinge area and the resulting powder was analyzed for %N and δ15N values. Comparison of δ15N values between C. virginica shells shows relatively constant values from ~1250 BC to ~1800 AD. After ~1800 AD, there are rapid increases in 15N enrichment in the shells, which continue to increase in value up to the modern shell values. The increase in δ15N values is evidence of early anthropogenic impact in Chesapeake Bay. These results corroborate the observation that coastal nitrogen pollution occurred earlier than the 19th century and support the use of oyster shell δ15N values as a useful environmental proxy. PMID:28281649

  3. δ15N Values in Crassostrea virginica Shells Provides Early Direct Evidence for Nitrogen Loading to Chesapeake Bay

    Science.gov (United States)

    Black, H. D.; Andrus, C. F. T.; Lambert, W. J.; Rick, T. C.; Gillikin, D. P.

    2017-03-01

    Crassostrea virginica is one of the most common estuarine bivalves in the United States’ east coast and is frequently found in archaeological sites and sub-fossil deposits. Although there have been several sclerochronological studies on stable carbon and oxygen isotopes in the shells of this species, less is known about δ15N values within their shells, which could be a useful paleoenvironmental proxy to assess estuarine nitrogen dynamics. Modern C. virginica samples were collected in Chesapeake Bay for comparison with archaeological shells from nearby sites ranging in age from ~100 to 3,200 years old. Left valves were sampled by milling the hinge area and the resulting powder was analyzed for %N and δ15N values. Comparison of δ15N values between C. virginica shells shows relatively constant values from ~1250 BC to ~1800 AD. After ~1800 AD, there are rapid increases in 15N enrichment in the shells, which continue to increase in value up to the modern shell values. The increase in δ15N values is evidence of early anthropogenic impact in Chesapeake Bay. These results corroborate the observation that coastal nitrogen pollution occurred earlier than the 19th century and support the use of oyster shell δ15N values as a useful environmental proxy.

  4. Inner-shell photodetachment from N i- : A giant Feshbach resonance

    Science.gov (United States)

    Dumitriu, I.; Bilodeau, R. C.; Gorczyca, T. W.; Walter, C. W.; Gibson, N. D.; Rolles, D.; Pešić, Z. D.; Aguilar, A.; Berrah, N.

    2017-08-01

    Inner-shell photodetachment from N i-([Ar ] 3 d94 s2) leading to N i+,N i2 + , and N i3 + ion production was studied near and above the 3 p excitation region, in the 60-90 eV photon energy range, using a merged ion-photon beam technique. The absolute photodetachment cross section of N i- leading to N i+ ion production was measured. The 3 p →3 d photoexcitation in N i- gives rise to a giant Feshbach resonance. In the near-threshold region, a Fano profile, modified by a Wigner s -wave (l =0 ) threshold law, accurately fits the N i- single-photodetachment cross section. A lower-order R -matrix calculation shows overall agreement with essential features of the experimental data, confirming the nature of the strong, asymmetric Fano profile of the giant 3 p →3 d photoexcitation-autodetachment resonance in N i- .

  5. Measurement of ground state properties of neutron-rich nuclei on the r-process path between the N=50 and N=82 shells

    CERN Multimedia

    2007-01-01

    The evolution of the unknown ground-state ${\\beta}$-decay properties of the neutron-rich $^{84-89}$Ge, $^{90-93}$Se and $^{102-104}$Sr isotopes near the r-process path is of high interest for the study of the abundance peaks around the N=50 and N=82 neutron shells. At ISOLDE, beams of certain elements with sufficient isotopic purity are produced as molecular sidebands rather than atomic beams. This applies e.g, to germanium, separated as GeS$^{+}$, selenium separated as SeCO$^{+}$ and strontium separated as SrF$^{+}$. However, in case of neutron-rich isotopes produced in actinide targets, new "isobaric" background of atomic ions appears on the mass of the molecular sideband. For this particular case, the ECR charge breeder, positioned in the experimental hall after ISOLDE first mass separation, can be advantageously used as a purification device, by breaking the molecules and removing the molecular contaminants. This proposal indicates our interest in the study of basic nuclear structure properties of neutron...

  6. pH Dependent Elasticity of Polystyrene-blockpoly(acrylic acid) Vesicle Shell Membranes by Atomic Force Microscopy

    NARCIS (Netherlands)

    Chen, Qi; Vancso, Gyula J.

    2011-01-01

    We assess the elastic properties of PS-b-PAA vesicle membranes under different pH values by AFM force measurements. We find that based on the shell deformation theory, the values of the estimated apparent Young's modulus of the vesicle membranes decrease as the pH of the solution increases. The

  7. Molecular dynamics study of the interactions of incident N or Ti atoms with the TiN(001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Zhenhai [National Key Laboratory for Precision Hot Processing of Metals & School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Centre for Precision Manufacturing, Department of Design, Manufacture and Engineering Management, The University of Strathclyde, Glasgow G1 1XJ (United Kingdom); Zeng, Quanren [Centre for Precision Manufacturing, Department of Design, Manufacture and Engineering Management, The University of Strathclyde, Glasgow G1 1XJ (United Kingdom); Yuan, Lin [National Key Laboratory for Precision Hot Processing of Metals & School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China); Qin, Yi [Centre for Precision Manufacturing, Department of Design, Manufacture and Engineering Management, The University of Strathclyde, Glasgow G1 1XJ (United Kingdom); Chen, Mingjun [School of Mechatronics Engineering, Harbin Institute of Technology, Harbin 150001 (China); Shan, Debin, E-mail: d.b.shan@gmail.com [National Key Laboratory for Precision Hot Processing of Metals & School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001 (China)

    2016-01-01

    Graphical abstract: - Highlights: • Interactions of incident N or Ti atoms with TiN(001) surface are studied by CMD. • The impact position of incident N on the surface determines the interaction modes. • Adsorption could occur due to the atomic exchange process. • Resputtering and reflection may simultaneously occur. • The initial sticking coefficient of N on TiN(001) is much smaller than that of Ti. - Abstract: The interaction processes between incident N or Ti atoms and the TiN(001) surface are simulated by classical molecular dynamics based on the second nearest-neighbor modified embedded-atom method potentials. The simulations are carried out for substrate temperatures between 300 and 700 K and kinetic energies of the incident atoms within the range of 0.5–10 eV. When N atoms impact against the surface, adsorption, resputtering and reflection of particles are observed; several unique atomic mechanisms are identified to account for these interactions, in which the adsorption could occur due to the atomic exchange process while the resputtering and reflection may simultaneously occur. The impact position of incident N atoms on the surface plays an important role in determining the interaction modes. Their occurrence probabilities are dependent on the kinetic energy of incident N atoms but independent on the substrate temperature. When Ti atoms are the incident particles, adsorption is the predominant interaction mode between particles and the surface. This results in the much smaller initial sticking coefficient of N atoms on the TiN(001) surface compared with that of Ti atoms. Stoichiometric TiN is promoted by N/Ti flux ratios larger than one.

  8. A Lorentz covariant holoraumy-induced “gadget” from minimal off-shell 4D, N = 1 $$ \\mathcal{N}=1 $$ supermultiplets

    National Research Council Canada - National Science Library

    Gates Jr, S James; Grover, Tyler; Miller-Dickson, Miles David; Mondal, Benedict A; Oskoui, Amir; Regmi, Shirash; Ross, Ethan; Shetty, Rajath

    2015-01-01

    Starting from three minimal off-shell 4D, N = 1 $$ \\mathcal{N}=1 $$ supermultiplets, using constructions solely defined within the confines of the four dimensional field theory we show the existence of a “gadget...

  9. Beta-decay half-lives at the N=28 shell closure

    Energy Technology Data Exchange (ETDEWEB)

    Grevy, S.; Angelique, J.C.; Baumann, P.; Borcea, C.; Buta, A.; Canchel, G.; Catford, W.N.; Courtin, S.; Daugas, J.M.; Oliveira, F. de; Dessagne, P.; Dlouhy, Z.; Knipper, A.; Kratz, K.L.; Lecolley, F.R.; Lecouey, J.L.; Lehrsenneau, G.; Lewitowicz, M.; Lienard, E.; Lukyanov, S.; Marechal, F.; Miehe, C.; Mrazek, J.; Negoita, F.; Orr, N.A.; Pantelica, D.; Penionzhkevich, Y.; Peter, J.; Pfeiffer, B.; Pietri, S.; Poirier, E.; Sorlin, O.; Stanoiu, M.; Stefan, I.; Stodel, C.; Timis, C

    2004-08-05

    Measurements of the beta-decay half-lives of neutron-rich nuclei (Mg-Ar) in the vicinity of the N=28 shell closure are reported. Some 22 half-lives have been determined, 12 of which for the first time. Particular emphasis is placed on the results for the Si isotopes, the half-lives of which have been extended from N=25 to 28. Comparison with QRPA calculations suggests that {sup 42}Si is strongly deformed. This is discussed in the light of a possible weakening of the spin-orbit potential.

  10. Auger Spectra and Different Ionic Charges Following 3s, 3p and 3d Sub-Shells Photoionization of Kr Atoms

    Directory of Open Access Journals (Sweden)

    Yehia A. Lotfy

    2006-01-01

    Full Text Available The decay of inner-shell vacancy in an atom through radiative and non-radiative transitions leads to final charged ions. The de-excitation decay of 3s, 3p and 3d vacancies in Kr atoms are calculated using Monte-Carlo simulation method. The vacancy cascade pathway resulted from the de-excitation decay of deep core hole in 3s subshell in Kr atoms is discussed. The generation of spectator vacancies during the vacancy cascade development gives rise to Auger satellite spectra. The last transitions of the de-excitation decay of 3s, 3p and 3d holes lead to specific charged ions. Dirac-Fock-Slater wave functions are adapted to calculate radiative and non-radiative transition probabilities. The intensity of Kr^{4+} ions are high for 3s hole state, whereas Kr^{3+} and Kr^{2+} ions have highest intensities for 3p and 3d hole states, respectively. The present results of ion charge state distributions agree well with the experimental data.

  11. Coulomb excitation of neutron-rich nuclei between the N=40 and N=50 shell gaps using REX-ISOLDE and the Ge MINIBALL array

    CERN Multimedia

    2002-01-01

    We propose to perform Coulomb excitation experiments of neutron-rich nuclei in the vicinity of $^{68}$Ni towards $^{78}$Ni using the REX-ISOLDE facility coupled with the highly efficient MINIBALL array. Major changes in the structure of the atomic nucleus are expected around the N = 40 subshell closure. Recent B(E2) measurements suggested that $^{68}$Ni behaves like a doubly magic nucleus while neutron-rich Zn isotopes with N>38 exhibit a sudden increase of B(E2) values which may be the signature of deformation. We would like to check and test these predictions for neutron-rich nuclei in the vicinity of N = 40 and N = 50 shell closures like $^{72}$Zn, $^{74}$Zn, $^{76}$Zn, $^{68}$Ni, $^{70}$Ni. Our calculations show that an energy upgrade from 2.2 to 3 MeV/nucleon will be of crucial importance for a part of our study while some nuclei can still be very efficiently studied at an energy of 2.2 MeV/nucleon. Therefore, to perform our experiment in an efficient way, we request 21 shifts of beam time before the ene...

  12. EVOLUTION OF THE WATER MASER EXPANDING SHELL IN W75N VLA 2

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jeong-Sook; Kim, Sang Joon [School of Space Science, Kyunghee University, Seocheon-dong, Giheung-si, Gyeonggi-do, 446-701 (Korea, Republic of); Kim, Soon-Wook [Korea Astronomy and Space Science Institute, 776 Daedeokdaero, Yuseong, Daejeon 305-348 (Korea, Republic of); Kurayama, Tomoharu [Graduate School of Science and Engineering, Kagoshima University, 1-21-35 Korimoto, Kagoshima, Kagoshima 890-0065 (Japan); Honma, Mareki [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Sasao, Tesuo [Yaeyama Star Club, Ookawa, Ishigaki, Okinawa 904-0022 (Japan); Surcis, Gabriele [Joint Institute for VLBI in Europe, Postbus 2, 7990 AA Dwingeloo (Netherlands); Canto, Jorge [Instituto de Astronomia (UNAM), Apartado 70-264, 04510 Mexico D. F. (Mexico); Torrelles, Jose M., E-mail: evony@kasi.re.kr, E-mail: skim@kasi.re.kr [Instituto de Ciencias del Espacio (CSIC)-UB/IEEC, Universitat de Barcelona, Marti i Franques 1, E-08028 Barcelona (Spain)

    2013-04-10

    We present Very Long Baseline Interferometry (VLBI) observations of 22 GHz H{sub 2}O masers in the high-mass star-forming region of W75N, carried out with VLBI Exploration of Radio Astrometry (VERA) for three epochs in 2007 with an angular resolution of {approx}1 mas. We detected H{sub 2}O maser emission toward the radio jet in VLA 1 and the expanding shell-like structure in VLA 2. The spatial distribution of the H{sub 2}O masers detected with VERA and measured proper motions around VLA 1 and VLA 2 are similar to those found with previous VLBI observations in epochs 1999 and 2005, with the masers in VLA 1 mainly distributed along a linear structure parallel to the radio jet and, on the other hand, forming a shell-like structure around VLA 2. We have made elliptical fits to the VLA 2 H{sub 2}O maser shell-like structure observed in the different epochs (1999, 2005, and 2007), and found that the shell is still expanding eight years after its discovery. From the difference in the size of the semi-major axes of the fitted ellipses in epochs 1999 ({approx_equal}71 {+-} 1 mas), 2005 ({approx_equal}97 {+-} 3 mas), and 2007 ({approx_equal}111 {+-} 1 mas), we estimate an average expanding velocity of {approx}5 mas yr{sup -1}, similar to the proper motions measured in the individual H{sub 2}O maser features. A kinematic age of {approx}20 yr is derived for this structure. In addition, our VERA observations indicate an increase in the ellipticity of the expanding shell around VLA 2 from epochs 1999 to 2007. In fact, the elliptical fit of the VERA data shows a ratio of the minor and major axes of {approx}0.6, in contrast with an almost circular shape for the shell detected in 1999 and 2005 (b/a {approx} 0.9). This suggests that we are probably observing the formation of a jet-driven H{sub 2}O maser structure in VLA2, evolving from a non-collimated pulsed-outflow event during the first stages of evolution of a massive young stellar object (YSO). This may support predictions made

  13. Design of an experimental setup to measure the K-shell photoelectric cross sections and other atomic parameters at K edge

    Energy Technology Data Exchange (ETDEWEB)

    Garcia-Alvarez, J.A.; Lopez-Pino, N.; Rizo, O. Diaz; Corrales, Y.; Padilla-Cabal, F.; Perez-Liva, M.; Alessandro, K.D.; Maidana, N.L. [Instituto Superior de Tecnologia y Ciencias Aplicadas (InSTEC), La Habana (Cuba)

    2010-07-01

    Full text: An experimental setup to measure the K shell jump ratio, jump factor and the ratio of total to K-shell photo-electric cross section at K edge was designed with Monte Carlo (MC) simulations, using the MCNPX V 2.6 code. In our arrangement, Bremsstrahlung photons, produced by beta particles from a {sup 90}Sr- {sup 90}Y source (activity - 0.1 mCi) hitting a thin Nickel converter, were used to irradiate the targets. The incident and transmitted spectra were measured with an HPGe detector coupled to conventional electronics. A sharp decrease in intensity at the K-shell binding energy was observed in the transmitted spectra, which, after corrections for photon attenuation, showed the known behavior for the photoelectric cross section as function of photon energy. The photon beam divergence effects were corrected with a calibration curve calculated with MC from simulations of a parallel and a divergent beam. Targets of Dy, Ta, Pt and Au were used to test the setup. The obtained data were processed by fitting either the total cross section to a sigmoidal function or the cross section branches around the K edge to the empirical law {sigma} = (A/E){sup n}. The results obtained using the first method show the influence of detector energy resolution in the data, because the measured jump at the K edge is not so sharp as it should be. Furthermore, additional calculations were done to obtain the anomalous scattering factors and the K-shell oscillator strengths. The values obtained for the K-shell photoelectric cross sections were compared with theoretical and other experimental data. In most cases, relative deviations below 10% were found. (author)

  14. Empirical relation and establishment of shell effects in (n, 2n ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 72; Issue 2. Empirical relation and establishment of shell effects in (, 2) reaction cross-sections at ... Author Affiliations. Sneh Lata Goyal1 Pratibha Gur1. Department of Applied Physics, Guru Jambheshwar University of Science & Technology, Hisar 125 001, India ...

  15. Flexible Photodiodes Based on Nitride Core/Shell p-n Junction Nanowires.

    Science.gov (United States)

    Zhang, Hezhi; Dai, Xing; Guan, Nan; Messanvi, Agnes; Neplokh, Vladimir; Piazza, Valerio; Vallo, Martin; Bougerol, Catherine; Julien, François H; Babichev, Andrey; Cavassilas, Nicolas; Bescond, Marc; Michelini, Fabienne; Foldyna, Martin; Gautier, Eric; Durand, Christophe; Eymery, Joël; Tchernycheva, Maria

    2016-10-05

    A flexible nitride p-n photodiode is demonstrated. The device consists of a composite nanowire/polymer membrane transferred onto a flexible substrate. The active element for light sensing is a vertical array of core/shell p-n junction nanowires containing InGaN/GaN quantum wells grown by MOVPE. Electron/hole generation and transport in core/shell nanowires are modeled within nonequilibrium Green function formalism showing a good agreement with experimental results. Fully flexible transparent contacts based on a silver nanowire network are used for device fabrication, which allows bending the detector to a few millimeter curvature radius without damage. The detector shows a photoresponse at wavelengths shorter than 430 nm with a peak responsivity of 0.096 A/W at 370 nm under zero bias. The operation speed for a 0.3 × 0.3 cm(2) detector patch was tested between 4 Hz and 2 kHz. The -3 dB cutoff was found to be ∼35 Hz, which is faster than the operation speed for typical photoconductive detectors and which is compatible with UV monitoring applications.

  16. The effect of thermal treatment on the atomic structure of core-shell PtCu nanoparticles in PtCu/C electrocatalysts

    Science.gov (United States)

    Pryadchenko, V. V.; Belenov, S. V.; Shemet, D. B.; Volochaev, V. A.; Srabionyan, V. V.; Avakyan, L. A.; Tabachkova, N. Yu.; Guterman, V. E.; Bugaev, L. A.

    2017-08-01

    PtCu/C electrocatalysts with bimetallic PtCu nanoparticles were synthesized by successive chemical reduction of Cu2+ and Pt(IV) in a carbon suspension prepared based on an aqueous ethylene glycol solution. The atomic structure of as-prepared PtCu nanoparticles and nanoparticles subjected to thermal treatment at 350°C was examined using Pt L 3 and Cu K EXAFS spectra, transmission electron microscopy (TEM), and X-ray powder diffraction (XRD). The results of joint analysis of TEM microphotographs, XRD profiles, and EXAFS spectra suggest that the synthesized electrocatalysts contain PtCu nanoparticles with a Cu core-Pt shell structure and copper oxides Cu2O and CuO. Thermal treatment of electrocatalysts at 350°C results in partial reduction of copper oxides and fusion of bimetallic nanoparticles with the formation of both homogeneous and ordered PtCu solid solutions.

  17. Dopant distributions in n-MOSFET structure observed by atom probe tomography.

    Science.gov (United States)

    Inoue, K; Yano, F; Nishida, A; Takamizawa, H; Tsunomura, T; Nagai, Y; Hasegawa, M

    2009-11-01

    The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted.

  18. Testing Noncollinear Spin-Flip, Collinear Spin-Flip, and Conventional Time-Dependent Density Functional Theory for Predicting Electronic Excitation Energies of Closed-Shell Atoms.

    Science.gov (United States)

    Xu, Xuefei; Yang, Ke R; Truhlar, Donald G

    2014-05-13

    Conventional time-dependent density functional theory (TDDFT) is based on a closed-shell Kohn-Sham (KS) singlet ground state with the adiabatic approximation, using either linear response (KS-LR) or the Tamm-Dancoff approximation (KS-TDA); these methods can only directly predict singly excited states. This deficiency can be overcome by using a triplet state as the reference in the KS-TDA approximation and "exciting" the singlet by a spin flip (SF) from the triplet; this is the method suggested by Krylov and co-workers, and we abbreviate this procedure as SF-KS-TDA. SF-KS-TDA can be applied either with the original collinear kernel of Krylov and co-workers or with a noncollinear kernel, as suggested by Wang and Ziegler. The SF-KS-TDA method does bring some new practical difficulties into play, but it can at least formally model doubly excited states and states with double-excitation character, so it might be more useful than conventional TDDFT (both KS-LR and KS-TDA) for photochemistry if these additional difficulties can be surmounted and if it is accurate with existing approximate exchange-correlation functionals. In the present work, we carried out calculations specifically designed to understand better the accuracy and limitations of the conventional TDDFT and SF-KS-TDA methods; we did this by studying closed-shell atoms and closed-shell monatomic cations because they provide a simple but challenging testing ground for what we might expect in studying the photochemistry of molecules with closed-shell ground states. To test their accuracy, we applied conventional KS-LR and KS-TDA and 18 versions of SF-KS-TDA (nine collinear and nine noncollinear) to the same set of vertical excitation energies (including both Rydberg and valence excitations) of Be, B(+), Ne, Na(+), Mg, and Al(+). We did this for 10 exchange-correlation functionals of various types, both local and nonlocal. We found that the GVWN5 and M06 functionals with nonlocal kernels in spin-flip calculations

  19. Russia`s atomic tsar: Viktor N. Mikhailov

    Energy Technology Data Exchange (ETDEWEB)

    Reams, C.A. [Los Alamos National Lab., NM (United States). Center for International Security Affairs

    1996-12-01

    Minatom (Ministry of Atomic Energy) was created to manage Russia`s nuclear weapons program in the age of disarmament. The ministry is responsible for the development, production, and maintenance of nuclear weapons, warhead dismantlement, the production of nuclear materials for weapons, the disposition of nuclear materials disassembled from warheads, the administration of Russia`s vast nuclear weapons complex, the development of policy for the future role of Russia`s nuclear complex and payment of employees entrusted with such tasks. Thus, Minatom is instrumental in the implementation of arms control, disarmament and nonproliferation agreements. The director of Minatom, Viktor N. Mikhailov, wields a great deal of power and influence over Russia`s nuclear infrastructure. He is an important player amidst efforts to reduce the threats posed by Russia`s decaying nuclear complex. There are certainly other personalities in the Russian government who influence Minatom; however, few affect the ministry as profoundly as Mikhailov. His ability to influence Russia`s nuclear complex has been clearly demonstrated by his policies in relation to the US purchase of Russian highly enriched uranium, the planned fissile material storage facility at Mayak, materials protection, control and accountability programs, and his unwavering determination to sell Iran commercial nuclear technology. Mikhailov has also been a key negotiator when dealing with the US on issues of transparency of weapons dismantlement and fissile material disposition, as well as the use of US threat reduction funds. His policies and concerns in these areas will affect the prospects for the successful negotiation and implementation of future nuclear threat reduction programs and agreements with Russia.

  20. Relativistic effects on the linear polarization and angular distribution of x-ray radiation emitted by inner-shell photoionization of atoms

    Science.gov (United States)

    Ma, Kun; Chen, Zhan-Bin; Xie, Lu-You; Dong, Chen-Zhong; Qu, Yi-Zhi

    2017-11-01

    We present a theoretical study of relativistic effects on the linear polarization and angular distribution of x-ray radiation for the L {α }2 (3{d}3/2\\to 2{p}3/2) characteristic line following inner-shell single photoionization of Cd, Ba, Yb and Ra atoms. The analysis is performed based on the multi-configuration Dirac–Fock method and the density matrix theory. To explore the nature of these effects, calculations are carried out based on detailed analyses of the total and magnetic sublevel cross sections, the linear polarization, and the angular distribution of the x-ray photoemission, as well as on corresponding data calculated in the nonrelativistic limit. Our results show a significant difference in the above parameters compared to the nonrelativistic treatment, which is mainly due to the relativistic treatment of the target. Higher multipole contributions are also estimated, and found to be generally weaker. The importance of inclusion of the relativistic effects grows with increasing atomic number and the incoming photon energy.

  1. On the nuclear $(n;t)-$reaction in the three-electron ${}^{6}$Li atom

    CERN Document Server

    Frolov, Alexei M

    2012-01-01

    The nuclear $(n;t)-$reaction of the three-electron ${}^{6}$Li atom with thermal/slow neutrons is considered. An effective method has been developed for determining the probabilities of formation of various atoms and ions in different bound states. We discuss a number of fundamental questions directly related to numerical computations of the final state atomic probabilities. A few appropriate variational expansions for atomic wave functions of the incident lithium atom and final helium atom and/or tritium negatively charged ion are discussed. It appears that the final ${}^4$He atom arising during the nuclear $(n,{}^{6}$Li; ${}^4$He$,t)$-reaction in the three-electron Li atom can also be created in its triplet states. The formation of the quasi-stable three-electron $e^{-}_3$ during the nuclear $(n; t)-$reaction at the Li atom is briefly discussed. Bremsstrahlung emitted by atomic electrons accelerated by the rapidly moving fragments from this reaction is analyzed. The frequency spectrum of the emitted radiatio...

  2. Determination of the N=16 shell closure at the oxygen drip line.

    Science.gov (United States)

    Hoffman, C R; Baumann, T; Bazin, D; Brown, J; Christian, G; DeYoung, P A; Finck, J E; Frank, N; Hinnefeld, J; Howes, R; Mears, P; Mosby, E; Mosby, S; Reith, J; Rizzo, B; Rogers, W F; Peaslee, G; Peters, W A; Schiller, A; Scott, M J; Tabor, S L; Thoennessen, M; Voss, P J; Williams, T

    2008-04-18

    The neutron unbound ground state of (25)O (Z=8, N=17) was observed for the first time in a proton knockout reaction from a (26)F beam. A single resonance was found in the invariant mass spectrum corresponding to a neutron decay energy of 770_+20(-10) keV with a total width of 172(30) keV. The N=16 shell gap was established to be 4.86(13) MeV by the energy difference between the nu1s(1/2) and nu0d(3/2) orbitals. The neutron separation energies for (25)O agree with the calculations of the universal sd shell model interaction. This interaction incorrectly predicts an (26)O ground state that is bound to two-neutron decay by 1 MeV, leading to a discrepancy between the theoretical calculations and experiment as to the particle stability of (26)O. The observed decay width was found to be on the order of a factor of 2 larger than the calculated single-particle width using a Woods-Saxon potential.

  3. Inner-shell spectroscopy and exchange interaction of Rydberg electrons bound by singly and doubly charged Kr and Xe atoms in small clusters

    Energy Technology Data Exchange (ETDEWEB)

    Nagasaka, Masanari; Hatsui, Takaki; Setoyama, Hiroyuki; Ruehl, Eckart [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan); Kosugi, Nobuhiro, E-mail: kosugi@ims.ac.j [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan)

    2011-01-15

    Surface-site resolved Kr 3d{sub 5/2}{sup -1}5p and 3d{sub 5/2}{sup -1}6p and Xe 4d{sub 5/2}{sup -1}6p and 4d{sub 5/2}{sup -1}7p Rydberg excited states in small van der Waals Kr and Xe clusters with a mean size of <N> = 15 are investigated by X-ray absorption spectroscopy. Furthermore, surface-site resolved Kr 4s{sup -2}5p, 4s{sup -2}6p, and 4s{sup -1}4p{sup -1}5p shakeup-like Rydberg states in small Kr clusters are investigated by resonant Auger electron spectroscopy. The exchange interaction of the Rydberg electron with the surrounding atoms and the induced polarization of the surrounding atoms in the singly and doubly ionized atoms are deduced from the experimental spectra to analyze different surface-site contributions in small clusters, assuming that the corner, edge, face, and bulk sites have 3, 5-6, 8, and 12 nearest neighbor atoms. These energies are almost proportional to the number of the nearest neighbor atoms. The present analysis indicates that small Kr and Xe clusters with <N> = 15 have an average or mixture structure between the fcc-like cubic and icosahedron-like spherical structures.

  4. Giant Rabi Splitting of Whispering Gallery Polaritons in GaN/InGaN Core-Shell Wire.

    Science.gov (United States)

    Gong, Su-Hyun; Ko, Suk-Min; Jang, Min-Ho; Cho, Yong-Hoon

    2015-07-08

    The hybrid nature of exciton polaritons opens up possibilities for developing a new concept nonlinear photonic device (e.g., polariton condensation, switching, and transistor) with great potential for controllability. Here, we proposed a novel type of polariton system resulting from strong coupling between a two-dimensional exciton and whispering gallery mode photon using a core-shell GaN/InGaN hexagonal wire. High quality, nonpolar InGaN multiple-quantum wells (MQWs) were conformally formed on a GaN core nanowire, which was spatially well matched with whispering gallery modes inside the wire. Both high longitudinal-transverse splitting of nonpolar MQWs and high spatial overlap with whispering gallery modes lead to unprecedented large Rabi splitting energy of ∼180 meV. This structure provides a robust polariton effect with a small footprint; thus, it could be utilized for a wide range of interesting applications.

  5. p-Cu2O-shell/n-TiO2-nanowire-core heterostucture photodiodes

    Directory of Open Access Journals (Sweden)

    Hsueh Ting-Jen

    2011-01-01

    Full Text Available Abstract This study reports the deposition of cuprous oxide [Cu2O] onto titanium dioxide [TiO2] nanowires [NWs] prepared on TiO2/glass templates. The average length and average diameter of these thermally oxidized and evaporated TiO2 NWs are 0.1 to 0.4 μm and 30 to 100 nm, respectively. The deposited Cu2O fills gaps between the TiO2 NWs with good step coverage to form nanoshells surrounding the TiO2 cores. The p-Cu2O/n-TiO2 NW heterostructure exhibits a rectifying behavior with a sharp turn-on at approximately 0.9 V. Furthermore, the fabricated p-Cu2O-shell/n-TiO2-nanowire-core photodiodes exhibit reasonably large photocurrent-to-dark-current contrast ratios and fast responses.

  6. Fe2Si5N8 - Access to Open-Shell Transition Metal Nitridosilicates.

    Science.gov (United States)

    Bielec, Philipp; Janka, Oliver; Block, Theresa; Pöttgen, Rainer; Schnick, Wolfgang

    2018-01-16

    Highly condensed nitridosilicates doped with Eu2+ or Ce3+ play an important role in saving energy by converting the blue light of (In,Ga)N-LEDs. Although nitridosilicates are known for great structural variety based on covalent anionic Si-N networks, elemental variety is restricted. Presenting a significant extension of the latter, this work describes a general access to open-shell transition metal nitridosilicates. As proof of principle the first iron nitridosilicate, namely Fe2Si5N8 was prepared by exchanging Ca2+ in α Ca2Si5N8 applying a FeCl2 melt (salt metathesis). The title compound was analyzed by powder X ray diffraction, EDX, ICP-OES, combustion analysis, TG/DSC, Mössbauer spectroscopy and magnetic susceptibility measurements. Furthermore, the structure of α Ca2Si5N8 was determined at 1073 and 1173 K confirming the α [Si5N8]4--network providing possible migration pathways for the ion exchange reaction. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Reactions of pulsed-laser evaporated lithium atoms with O 2 and N 2O

    Science.gov (United States)

    Andrews, Lester; Saffell, Wendy; Yustein, Jason T.

    1994-12-01

    Pulsed laser evaporated Li atoms were codeposited with O 2 in excess argon at 12 K. The same LiO 2 and LiO 2Li products were observed that were formed with thermal Li atoms. However, with N 2O the LiO product was observed in contrast to thermal Li atom reactions. Excess kinetic energy in the laser evaporated Li atoms provided activation energy for the abstraction reaction. In addition the extremely large yield of O 4- observed in O 2 experiments provides evidence for photoelectron emission from the lithium metal surface.

  8. Emission Characteristics of InGaN/GaN Core-Shell Nanorods Embedded in a 3D Light-Emitting Diode

    Science.gov (United States)

    Jung, Byung Oh; Bae, Si-Young; Lee, Seunga; Kim, Sang Yun; Lee, Jeong Yong; Honda, Yoshio; Amano, Hiroshi

    2016-04-01

    We report the selective-area growth of a gallium nitride (GaN)-nanorod-based InGaN/GaN multiple-quantum-well (MQW) core-shell structure embedded in a three-dimensional (3D) light-emitting diode (LED) grown by metalorganic chemical vapor deposition (MOCVD) and its optical analysis. High-resolution transmission electron microscopy (HR-TEM) observation revealed the high quality of the GaN nanorods and the position dependence of the structural properties of the InGaN/GaN MQWs on multiple facets. The excitation and temperature dependences of photoluminescence (PL) revealed the m-plane emission behaviors of the InGaN/GaN core-shell nanorods. The electroluminescence (EL) of the InGaN/GaN core-shell-nanorod-embedded 3D LED changed color from green to blue with increasing injection current. This phenomenon was mainly due to the energy gradient and deep localization of the indium in the selectively grown InGaN/GaN core-shell MQWs on the 3D architecture.

  9. Evolution of the N=82 shell gap below {sup 132}Sn inferred from core excited states in {sup 131}In

    Energy Technology Data Exchange (ETDEWEB)

    Gorska, M. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany)], E-mail: m.gorska@gsi.de; Caceres, L. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany); Departamento de Fisica Teorica, Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Grawe, H. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany); Pfuetzner, M. [IEP, University of Warsaw, PL-00681 Warsaw (Poland); Jungclaus, A. [Departamento de Fisica Teorica, Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Instituto de Estructuras de la Materia, CSIC, Serrano113bis, E-28006 Madrid (Spain); Pietri, S. [Department of Physics, University of Surrey, Guildford, GU2 7XH (United Kingdom); Werner-Malento, E. [IEP, University of Warsaw, PL-00681 Warsaw (Poland); Podolyak, Z.; Regan, P.H. [Department of Physics, University of Surrey, Guildford, GU2 7XH (United Kingdom); Rudolph, D. [Department of Physics, Lund University, S-22100 Lund (Sweden); Detistov, P. [Faculty of Physics, University of Sofia, BG-1164 Sofia (Bulgaria); Lalkovski, S. [Faculty of Physics, University of Sofia, BG-1164 Sofia (Bulgaria); School of Enviroment and Technology, University of Brighton, Brighton, BN2 4GJ (United Kingdom); Modamio, V.; Walker, J. [Departamento de Fisica Teorica, Universidad Autonoma de Madrid, E-28049 Madrid (Spain); Beck, T. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany); Bednarczyk, P. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany); Henryk Niewodniczanski Institute of Nuclear Physics, PAN, PL-31342 Krakow (Poland); Doornenbal, P. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany); Institut fuer Kernphysik, Universitaet zu Koeln, D-50937 Koeln (Germany); Geissel, H.; Gerl, J. [Gesellschaft fuer Schwerionenforschung (GSI), D-64291 Darmstadt (Germany)] (and others)

    2009-03-02

    The {gamma}-ray decay of an excited state in {sup 131}In, the one proton hole neighbor of the doubly magic {sup 132}Sn has been measured. A high-spin, core-excited isomer with T{sub 1/2}=630(60) ns was identified following production by both relativistic fragmentation of a {sup 136}Xe beam and fission of a {sup 238}U beam. This state deexcites by a single {gamma}-ray branch of 3782(2) keV from which direct evidence for the size of the N=82 shell gap is inferred. The results are discussed in comparison to a shell-model calculation including configurations across the closed shells at N=82 and Z=50.

  10. Electron mobility limited by optical phonons in wurtzite InGaN/GaN core-shell nanowires

    Science.gov (United States)

    Liu, W. H.; Qu, Y.; Ban, S. L.

    2017-09-01

    Based on the force-balance and energy-balance equations, the optical phonon-limited electron mobility in InxGa1-xN/GaN core-shell nanowires (CSNWs) is discussed. It is found that the electrons tend to distribute in the core of the CSNWs due to the strong quantum confinement. Thus, the scattering from first kind of the quasi-confined optical (CO) phonons is more important than that from the interface (IF) and propagating (PR) optical phonons. Ternary mixed crystal and size effects on the electron mobility are also investigated. The results show that the PR phonons exist while the IF phonons disappear when the indium composition x line electron density. Our theoretical results are expected to be helpful to develop electronic devices based on CSNWs.

  11. Understanding GaN/InGaN core–shell growth towards high quality factor whispering gallery modes from non-polar InGaN quantum wells on GaN rods

    Science.gov (United States)

    Tessarek, C.; Rechberger, S.; Dieker, C.; Heilmann, M.; Spiecker, E.; Christiansen, S.

    2017-12-01

    GaN microrods are used as a basis for subsequent InGaN quantum well (QW) and quantum dot deposition by metal-organic vapor phase epitaxy. The coverage of the shell along the sidewall of rods is dependent on the rod growth time and a complete coverage is obtained for shorter rod growth times. Transmission electron microscopy measurements are performed to reveal the structural properties of the InGaN layer on the sidewall facet and on the top facet. The presence of layers in the microrod and on the microrod surface will be discussed with respect to GaN and InGaN growth. A detailed model will be presented explaining the formation of multiple SiN layers and the partial and full coverage of the shell around the core. Cathodoluminescence measurements are performed to analyze the InGaN emission properties along the microrod and to study the microresonator properties of such hexagonal core–shell structures. High quality factor whispering gallery modes with Q∼ 1200 are reported for the first time in a GaN microrod/InGaN non-polar QW core–shell geometry. The GaN/InGaN core–shell microrods are expected to be promising building blocks for low-threshold laser diodes and ultra-sensitive optical sensors.

  12. One-Pot Method for Multifunctional Yolk Structured Nanocomposites with N-doped Carbon Shell Using Polydopamine as Precursor

    Science.gov (United States)

    Zhang, Yanwei; Zhang, Min; Ding, Lei; Wang, Yongtao; Xu, Jingli

    2016-04-01

    Herein, we reported a facile method to prepared uniform yolk like nanocomposites with well-defined N-doped carbon shell (C), in which the cores@SiO2@polydopamine (Pdop) were used as the sacrificed template. Typically, inherited from the functional Au core, the yolk particles presented excellent catalytic activities.

  13. The measurement of electrostatic potentials in core/shell GaN nanowires using off-axis electron holography

    DEFF Research Database (Denmark)

    Yazdi, Sadegh; Kasama, Takeshi; Ciechonski, R

    2013-01-01

    Core-shell GaN nanowires are expected to be building blocks of future light emitting devices. Here we apply off-axis electron holography to map the electrostatic potential distributions in such nanowires. To access the cross-section of selected individual nanowires, focused ion beam (FIB) milling...

  14. Widths of the atomic K-N7 levels

    CERN Document Server

    Campbell, J L

    2001-01-01

    Atomic level widths obtained from experimental measurements are collected in Table I, along with the corresponding theoretical widths derived from the Evaluated Atomic Data Library (EADL) of Lawrence Livermore National Laboratory; these EADL values are based upon the Dirac-Hartree-Slater version of the independent-particle model. In a minority of cases, many-body theory predictions are also provided. A brief discussion of the manner in which the experimental widths were deduced from spectroscopic data is included. The bulk of the data are for elements in the solid state, but a few data for gases and simple compounds are included. For the K, L2, L3, and M5 levels, where Coster-Kronig contributions do not contribute or contribute only to a small extent to the overall widths, the EADL predictions appear satisfactory for elements in the solid state. For other levels, where Coster-Kronig and super-Coster-Kronig transitions have large probabilities within the independent-particle model, this model is not satisfacto...

  15. Experimental and Computational Studies of the Reactions of N and O Atoms with Small Heterocyclic Anions.

    Science.gov (United States)

    Wang, Zhe-Chen; Bierbaum, Veronica M

    2017-05-18

    The existence of heterocyclic aromatic anions in extraterrestrial environments, such as the upper atmosphere of Titan, has been recently confirmed by data from the Cassini spacecraft. Nitrogen and oxygen atoms are also common species in the ionospheres of planets and moons and in the interstellar medium. In the current work, we extend previous studies to explore the reactivity of five-membered ring aromatic anions that contain nitrogen, oxygen, or sulfur (deprotonated pyrrole, furan, and thiophene) with N and O atoms both experimentally and computationally. Furanide and thiophenide anions react with the N atom by associative electron detachment (AED). All three anions react with the O atom both by AED and by processes that form ionic products. The reaction of pyrrolide anion with the O atom generates only one ionic product C4H3NO(-), corresponding to an O addition and H loss process. The corresponding process is observed as the major channel for the reaction of furanide anion with the O atom while other ionic products HCOO(-) and C2H(-) are also formed. The reaction of thiophenide with the O atom is more complex, and four ionic products are generated, of which three are sulfur-containing ions. The reaction mechanisms are studied theoretically by employing density functional theory calculations, and spin conversion is found to be critical for understanding some product distributions. This work provides insight into the rich gas-phase chemistry of aromatic ion-atom reactions, which are relevant to ionospheric and interstellar chemistry.

  16. Thermoresponsive Cellulose Acetate-Poly(N-isopropylacrylamide) Core-Shell Fibers for Controlled Capture and Release of Moisture.

    Science.gov (United States)

    Thakur, Neha; Sargur Ranganath, Anupama; Sopiha, Kostiantyn; Baji, Avinash

    2017-08-30

    In this study, we used core-shell electrospinning to fabricate cellulose acetate-poly(N-isopropylacrylamide) (CA-PNIPAM) fibrous membranes and demonstrated the ability of these fibers to capture water from a high humid atmosphere and release it when thermally stimulated. The wettability of the fibers was controlled by using thermoresponsive PNIPAM as the shell layer. Scanning electron and fluorescence microscopes are used to investigate the microstructure of the fibers and confirm the presence of the core and shell phases within the fibers. The moisture capturing and releasing ability of these core-shell CA-PNIPAM fibers was compared with those of the neat CA and neat PNIPAM fibers at room temperature as well as at an elevated temperature. At room temperature, the CA-PNIPAM core-shell fibers are shown to have the maximum moisture uptake capacity among the three samples. The external temperature variations which trigger the moisture response behavior of these CA-PNIPAM fibers fall within the range of typical day and night cycles of deserts, demonstrating the potential use of these fibers for water harvesting applications.

  17. Atomically thin p-n junctions with van der Waals heterointerfaces.

    Science.gov (United States)

    Lee, Chul-Ho; Lee, Gwan-Hyoung; van der Zande, Arend M; Chen, Wenchao; Li, Yilei; Han, Minyong; Cui, Xu; Arefe, Ghidewon; Nuckolls, Colin; Heinz, Tony F; Guo, Jing; Hone, James; Kim, Philip

    2014-09-01

    Semiconductor p-n junctions are essential building blocks for electronic and optoelectronic devices. In conventional p-n junctions, regions depleted of free charge carriers form on either side of the junction, generating built-in potentials associated with uncompensated dopant atoms. Carrier transport across the junction occurs by diffusion and drift processes influenced by the spatial extent of this depletion region. With the advent of atomically thin van der Waals materials and their heterostructures, it is now possible to realize a p-n junction at the ultimate thickness limit. Van der Waals junctions composed of p- and n-type semiconductors--each just one unit cell thick--are predicted to exhibit completely different charge transport characteristics than bulk heterojunctions. Here, we report the characterization of the electronic and optoelectronic properties of atomically thin p-n heterojunctions fabricated using van der Waals assembly of transition-metal dichalcogenides. We observe gate-tunable diode-like current rectification and a photovoltaic response across the p-n interface. We find that the tunnelling-assisted interlayer recombination of the majority carriers is responsible for the tunability of the electronic and optoelectronic processes. Sandwiching an atomic p-n junction between graphene layers enhances the collection of the photoexcited carriers. The atomically scaled van der Waals p-n heterostructures presented here constitute the ultimate functional unit for nanoscale electronic and optoelectronic devices.

  18. Study of the effect of shell stabilization of the collective isovector valence-shell excitations along the N=80 isotonic chain

    CERN Multimedia

    Blazhev, A A; Kruecken, R; Coquard, L; Bloch, T P; Wadsworth, R; Danchev, M T; Jenkins, D G; Kroell, T; Leske, J

    It is proposed to initiate an experimental program to study the quadrupole-collective isovector valence-shell excitations the so-called mixed-symmetry states (MSSs) of unstable nuclei from the N = 80 isotonic chain. The main aim of this program is to investigate the microscopic mechanism which leads to a concentration or a fragmentation of the MSSs, an effect dubbed $\\textit{shell stabilization}$ of MSSs. This will be achieved by identification of MSSs of the unstable nuclei $^{140}$Nd and $^{142}$Sm. The MSSs of these nuclei will be identified experimentally by measuring their relative populations with respect to the population of the first 2$^{+}$ states in inverse kinematics Coulomb excitation (CE) reactions on light targets. As a first step of this program we apply for a beam time for the radioactive $^{140}$Nd and $^{142}$Sm beams at beam energy of 2.85 MeV/u. These beams will be used to determine the absolute B(E2;2$_{1}^{+} \\rightarrow$ 0$_{1}^{+}$) values for $^{140}$Nd and $^{142}$Sm in Coulomb excit...

  19. Modified Activated Carbon Prepared from Acorn Shells as a New Solid-Phase Extraction Sorbent for the Preconcentration and Determination of Trace Amounts of Nickel in Food Samples Prior to Flame Atomic Absorption Spectrometry.

    Science.gov (United States)

    Ebrahimi, Bahram

    2017-03-01

    A new solid-phase extraction (SPE) sorbent was introduced based on acidic-modified (AM) activated carbon (AC) prepared from acorn shells of native oak trees in Kurdistan. Hydrochloric acid (15%, w/w) and nitric acid (32.5%, w/w) were used to condition and modify AC. The IR spectra of AC and AM-AC showed that AM lead to the formation of increasing numbers of acidic functional groups on AM-AC. AM-AC was used in the SPE method for the extraction and preconcentration of Ni+2 prior to flame atomic absorption spectrometric determination at ng/mL levels in model and real food samples. Effective parameters of the SPE procedure, such as the pH of the solutions, sorbent dosage, extraction time, sample volume, type of eluent, and matrix ions, were considered and optimized. An enrichment factor of 140 was obtained. The calibration curve was linear with an R2 of 0.997 in the concentration range of 1-220 ng/mL. The RSD was 5.67% (for n = 7), the LOD was 0.352 ng/mL, and relative recoveries in vegetable samples ranged from 96.7 to 103.7%.

  20. Atomic resolution investigations of phase transformation from TaN to CrTaN in a steel matrix

    DEFF Research Database (Denmark)

    Danielsen, Hilmar Kjartansson; Hald, John

    2012-01-01

    atoms diffuse from the steel matrix into TaN precipitates and physically transform them into CrTaN. The crystal structure of the precipitates changes from that of a typical MN NaCl type crystal structure to a Z-phase crystal structure with alternating double layers of Cr and TaN. Since there is a large...

  1. Dislocations in AlGaN: Core Structure, Atom Segregation, and Optical Properties.

    Science.gov (United States)

    Massabuau, Fabien C-P; Rhode, Sneha L; Horton, Matthew K; O'Hanlon, Thomas J; Kovács, András; Zielinski, Marcin S; Kappers, Menno J; Dunin-Borkowski, Rafal E; Humphreys, Colin J; Oliver, Rachel A

    2017-08-09

    We conducted a comprehensive investigation of dislocations in Al0.46Ga0.54N. Using aberration-corrected scanning transmission electron microscopy and energy dispersive X-ray spectroscopy, the atomic structure and atom distribution at the dislocation core have been examined. We report that the core configuration of dislocations in AlGaN is consistent with that of other materials in the III-Nitride system. However, we observed that the dissociation of mixed-type dislocations is impeded by alloying GaN with AlN, which is confirmed by our experimental observation of Ga and Al atom segregation in the tensile and compressive parts of the dislocations, respectively. Investigation of the optical properties of the dislocations shows that the atom segregation at dislocations has no significant effect on the intensity recorded by cathodoluminescence in the vicinity of the dislocations. These results are in contrast with the case of dislocations in In0.09Ga0.91N where segregation of In and Ga atoms also occurs but results in carrier localization limiting non-radiative recombination at the dislocation. This study therefore sheds light on why InGaN-based devices are generally more resilient to dislocations than their AlGaN-based counterparts.

  2. {alpha} decay of {sup 273}110: Shell closure at {ital N}=162

    Energy Technology Data Exchange (ETDEWEB)

    Lazarev, Y.A.; Lobanov, Y.V.; Oganessian, Y.T.; Utyonkov, V.K.; Abdullin, F.S.; Polyakov, A.N.; Rigol, J.; Shirokovsky, I.V.; Tsyganov, Y.S.; Iliev, S.; Subbotin, V.G.; Sukhov, A.M.; Buklanov, G.V.; Gikal, B.N.; Kutner, V.B.; Mezentsev, A.N.; Subotic, K. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Wild, J.F.; Lougheed, R.W.; Moody, K.J. [University of California, Lawrence Livermore National Laboratory, Livermore, California 94551 (United States)

    1996-08-01

    In bombardments of {sup 244}Pu with {sup 34}S we discovered the {alpha}-decaying nuclide {sup 273}110. We conducted an extensive off-line search of the raw data for event sequences which fit the expected pattern of implantation in a position-sensitive detector and subsequent decay of {sup 273}110 and its descendants. We observed one three-member sequence of genetically linked {alpha} decays, resulting in {ital E}{sub {alpha}}=11.35 MeV, a half-life of 0.3{sub {minus}0.2}{sup +1.3} ms, and a production cross section of about 0.4 pb for {sup 273}110. Other possible {sup 273}110 event chains were also observed. The measured {alpha}-particle energy for the {ital N}=163 nuclide {sup 273}110 provides direct evidence for a neutron shell closure at {ital N}=162. {copyright} {ital 1996 The American Physical Society.}

  3. Shell evolution beyond Z = 28 and N = 50: Spectroscopy of 81,82,83,84Zn

    Science.gov (United States)

    Shand, C. M.; Podolyák, Zs.; Górska, M.; Doornenbal, P.; Obertelli, A.; Nowacki, F.; Otsuka, T.; Sieja, K.; Tostevin, J. A.; Tsunoda, Y.; Authelet, G.; Baba, H.; Calvet, D.; Château, A.; Chen, S.; Corsi, A.; Delbart, A.; Gheller, J. M.; Giganon, A.; Gillibert, A.; Isobe, T.; Lapoux, V.; Matsushita, M.; Momiyama, S.; Motobayashi, T.; Niikura, M.; Otsu, H.; Paul, N.; Péron, C.; Peyaud, A.; Pollacco, E. C.; Roussé, J.-Y.; Sakurai, H.; Santamaria, C.; Sasano, M.; Shiga, Y.; Steppenbeck, D.; Takeuchi, S.; Taniuchi, R.; Uesaka, T.; Wang, H.; Yoneda, K.; Ando, T.; Arici, T.; Blazhev, A.; Browne, F.; Bruce, A. M.; Carroll, R. J.; Chung, L. X.; Cortés, M. L.; Dewald, M.; Ding, B.; Dombrádi, Zs.; Flavigny, F.; Franchoo, S.; Giacoppo, F.; Gottardo, A.; Hadyńska-Klęk, K.; Jungclaus, A.; Korkulu, Z.; Koyama, S.; Kubota, Y.; Lee, J.; Lettmann, M.; Linh, B. D.; Liu, J.; Liu, Z.; Lizarazo, C.; Louchart, C.; Lozeva, R.; Matsui, K.; Miyazaki, T.; Moschner, K.; Nagamine, M.; Nakatsuka, N.; Nishimura, S.; Nita, C. R.; Nobs, C. R.; Olivier, L.; Ota, S.; Orlandi, R.; Patel, Z.; Regan, P. H.; Rudigier, M.; Şahin, E.; Saito, T.; Söderström, P.-A.; Stefan, I.; Sumikama, T.; Suzuki, D.; Vajta, Zs.; Vaquero, V.; Werner, V.; Wimmer, K.; Wu, J.; Xu, Z. Y.

    2017-10-01

    We report on the measurement of new low-lying states in the neutron-rich 81,82,83,84Zn nuclei via in-beam γ-ray spectroscopy. These include the 41+ →21+ transition in 82Zn, the 21+ →0g.s+ and 41+ →21+ transitions in 84Zn, and low-lying states in 81,83Zn were observed for the first time. The reduced E (21+) energies and increased E (41+) / E (2+1) ratios at N = 52, 54 compared to those in 80Zn attest that the magicity is confined to the neutron number N = 50 only. The deduced level schemes are compared to three state-of-the-art shell model calculations and a good agreement is observed with all three calculations. The newly observed 2+ and 4+ levels in 84Zn suggest the onset of deformation towards heavier Zn isotopes, which has been incorporated by taking into account the upper sdg orbitals in the Ni78-II and the PFSDG-U models.

  4. Synthesis and characterization of biocompatible antimicrobial N-halamine-functionalized titanium dioxide core-shell nanoparticles.

    Science.gov (United States)

    Li, Lin; Ma, Wei; Cheng, Xiaoli; Ren, Xuehong; Xie, Zhiwei; Liang, Jie

    2016-12-01

    As one of the most powerful biocides, N-halamine based antimicrobial materials have attracted much interest due to their non-toxicity, rechargeability, and rapid inactivation against a broad range of microorganisms. In this study, novel titanium dioxide-ADMH core-shell nanoparticles [TiO2@poly (ADMH-co-MMA) NPs] were prepared via miniemulsion polymerization using 3-allyl-5,5-dimethylhydantoin (ADMH) and methyl methacrylate (MMA) with nano-TiO2. The produced nanoparticles were characterized by FT-IR, TEM, TGA, and XPS. The UV stability of N-halamine nanoparticles has been improved with the addition of titanium dioxide. After chlorination treatment by sodium hypochlorite, biocidal efficacies of the chlorinated nanoparticles against S. aureus (ATCC 6538) and E. coli O157:H7 (ATCC 43895) were determined. The nanoparticles showed excellent antimicrobial properties against bacteria within brief contact time. In addition, in vitro cell cytocompatibility tests showed that the antibacterial nanoparticles had good biocompatibility. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. InGaN/GaN core/shell nanowires for visible to ultraviolet range photodetection

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hezhi; Lavenus, Pierre; Julien, Francois H.; Tchernycheva, Maria [Institut d' Electronique Fondamentale, UMR CNRS 8622, Universite Paris Sud 11, 91405, Orsay (France); Messanvi, Agnes [Institut d' Electronique Fondamentale, UMR CNRS 8622, Universite Paris Sud 11, 91405, Orsay (France); Universite Grenoble Alpes, 38000, Grenoble (France); CEA, INAC-SP2M, ' ' Nanophysique et semiconducteurs' ' Group, 38000, Grenoble (France); Durand, Christophe; Eymery, Joel [Universite Grenoble Alpes, 38000, Grenoble (France); CEA, INAC-SP2M, ' ' Nanophysique et semiconducteurs' ' Group, 38000, Grenoble (France); Babichev, Andrey [ITMO University, 197101, St. Petersburg (Russian Federation); Ioffe Institute, Polytekhnicheskaya 26, 194021, St. Petersburg (Russian Federation)

    2016-04-15

    We report on the fabrication and characterization of single nitride nanowire visible-to-ultraviolet p-n photodetectors. Nitride nanowires containing 30 InGaN/GaN radial quantum wells with 18% indium fraction were grown by catalyst-free metal-organic vapour phase epitaxy. Single nanowires were contacted using optical lithography. As expected for a radial p-n junction, the current-voltage (I-V) curves of single wire detectors show a rectifying behavior in the dark and a photocurrent under illumination. The detectors present a response in the visible to UV spectral range starting from 2.8 eV. The peak responsivity is 0.17 A/W at 3.36 eV. The on-off switching time under square light pulses is found to be below 0.1 s. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Study of the closure of the nuclear shells N = 16, 20, 28 and 40; Etudes des fermetures de couches nucleaires N=16, 20, 28 et 40

    Energy Technology Data Exchange (ETDEWEB)

    Sorlin, O

    2005-12-15

    There are 2 types of nuclear shell closures: one is associated to a number of the harmonic oscillator, typically N = 20 and 40, and the other is a consequence of the spin-orbital interaction that produces magic numbers such as N = 28, 50, 82 and N = 126. The first part of this work deals with the knowledge accumulated around the closure of the N = 28 shell. 3 means of investigation have been used: -) the study of beta decay nuclei (K{sup 47}, Ar{sup 46}, S{sup 44}, Si{sup 42} and Cl{sup 45}), -) the on-line spectroscopy of nuclei around N = 28, and -) the study of Ar{sup 45} and Ar{sup 47} through transfer reactions. The second part is dedicated to results concerning the nuclear structure of nuclei around N = 14-20 and around N = 40. (A.C.)

  7. 1p3/2 Proton-Hole State in Sn132 and the Shell Structure Along N =82

    Science.gov (United States)

    Taprogge, J.; Jungclaus, A.; Grawe, H.; Nishimura, S.; Doornenbal, P.; Lorusso, G.; Simpson, G. S.; Söderström, P.-A.; Sumikama, T.; Xu, Z. Y.; Baba, H.; Browne, F.; Fukuda, N.; Gernhäuser, R.; Gey, G.; Inabe, N.; Isobe, T.; Jung, H. S.; Kameda, D.; Kim, G. D.; Kim, Y.-K.; Kojouharov, I.; Kubo, T.; Kurz, N.; Kwon, Y. K.; Li, Z.; Sakurai, H.; Schaffner, H.; Steiger, K.; Suzuki, H.; Takeda, H.; Vajta, Zs.; Watanabe, H.; Wu, J.; Yagi, A.; Yoshinaga, K.; Benzoni, G.; Bönig, S.; Chae, K. Y.; Coraggio, L.; Covello, A.; Daugas, J.-M.; Drouet, F.; Gadea, A.; Gargano, A.; Ilieva, S.; Kondev, F. G.; Kröll, T.; Lane, G. J.; Montaner-Pizá, A.; Moschner, K.; Mücher, D.; Naqvi, F.; Niikura, M.; Nishibata, H.; Odahara, A.; Orlandi, R.; Patel, Z.; Podolyák, Zs.; Wendt, A.

    2014-04-01

    A low-lying state in In82131, the one-proton hole nucleus with respect to double magic Sn132, was observed by its γ decay to the Iπ=1/2- β-emitting isomer. We identify the new state at an excitation energy of Ex=1353 keV, which was populated both in the β decay of Cd13183 and after β-delayed neutron emission from Cd13284, as the previously unknown πp3/2 single-hole state with respect to the Sn132 core. Exploiting this crucial new experimental information, shell-model calculations were performed to study the structure of experimentally inaccessible N =82 isotones below Sn132. The results evidence a surprising absence of proton subshell closures along the chain of N =82 isotones. The consequences of this finding for the evolution of the N =82 shell gap along the r-process path are discussed.

  8. Magnetism of electrons in atoms and superatoms

    Science.gov (United States)

    Medel, Victor; Reveles, J. Ulises; Khanna, Shiv N.

    2012-09-01

    The quantum states of electrons in small symmetric metallic clusters are grouped into shells similar to the electronic shells in free atoms, leading to the conceptual basis for defining superatoms. The filling of the electronic shells in clusters, however, do not follow Hund's rule and usually result in non-magnetic species. It is shown that by embedding a transition metal in group II atoms, one can stabilize superatoms with unpaired electronic supershells. We demonstrate this intriguing effect through electronic structure studies of MnSrn (n = 6-12) clusters within first principles generalized gradient calculations. The studies identify an unusually stable magnetic MnSr9 species with a large exchange splitting of 1.82 eV of the superatomic D-states. It is shown that the exchange split d-states in the Mn atom induce exchange splitting in S and D superatomic shells because of the hybridization between orbitals of selected parity. The magnetic MnSr9 cluster with 25 valence electrons has filled 1S2, 1P6, 1D10, 2S2 shells, making it highly stable, and an open shell of 5 unpaired D electrons breeding the magnetic moment. The stable cluster is resistant to collapse as two motifs are united to form a supermolecule.

  9. Isotope effects on the charge transfer into the n=1, 2, and 3 shells of He2+ in collisions with H, D, and T

    NARCIS (Netherlands)

    Stolterfoht, N.; Cabrera-Trujillo, R.; Krstic, P. S.; Hoekstra, R.; Oehrn, Y.; Deumens, E.; Sabin, J. R.

    Processes for charge transfer into He2+ colliding with the atomic isotopes hydrogen (H), deuterium (D), and tritium (T) are theoretically studied at collision energies as low as 30 eV/amu. Probabilities and cross sections for electron capture into different shells of the projectile are calculated

  10. Fabrication, thermal properties and thermal stabilities of microencapsulated n-alkane with poly(lauryl methacrylate) as shell

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, Xiaolin, E-mail: shirleyqiu2009@gmail.com [Jiangsu Key Laboratory of Advanced Food Manufacturing Equipment and Technology, School of Mechanical Engineering, Jiangnan University, Wuxi 214122 (China); Lu, Lixin; Wang, Ju [Jiangsu Key Laboratory of Advanced Food Manufacturing Equipment and Technology, School of Mechanical Engineering, Jiangnan University, Wuxi 214122 (China); Tang, Guoyi [Advanced Materials Institute and Clearer Production Key Laboratory, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Key Laboratory of Advanced Materials, Department of Materials Science and Engineering, Tsinghua University, Haidian District, Beijing 100084 (China); Song, Guolin [Advanced Materials Institute and Clearer Production Key Laboratory, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China)

    2015-11-20

    Highlights: • Microencapsulation of octadecane and paraffin by crosslinked poly(lauryl methacrylate). • Octadecane microcapsules have a melting enthalpy of about 118 J g{sup −1}. • Weight loss temperatures of the microcapsules were increased by 67 °C and 28 °C. • Phase change enthalpies decreased by around 10 wt% after 500 thermal cycles. • Foams with microcapsules can be applied for passive temperature control. - Abstract: Microencapsulation of n-octadecane or paraffin with poly(lauryl methacrylate) (PLMA) shell was performed by a suspension-like polymerization. The polymer shell was crosslinked by pentaerythritol tetraacrylate (PETRA). The surface morphologies of microcapsules were investigated by scanning electron microscopy (SEM). Phase change properties, thermal reliabilities and thermal stabilities of microcapsules were determined by differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA). The n-octadecane microcapsule exhibits higher melting enthalpy (118.0 J g{sup −1}) and crystallization enthalpy (108.3 J g{sup −1}) compared with the paraffin microcapsule. The thermal resistant temperatures were enhanced by more than 25 °C when n-alkanes were microencapsulated by PLMA. The PCM contents of microcapsules decreased by less than 4 wt% and 6 wt% after 500 and 1000 thermal cycles, respectively. Heat-up experiments indicated that microcapsule-treated foams exhibited upgraded thermal regulation capacities. Consequently, microencapsulated n-octadecane or paraffin with PLMA as shell possesses good potentials for heat storage and thermal regulation.

  11. Controlling the interactions of very-high-n strontium Rydberg atoms

    Science.gov (United States)

    Fields, R. G.; Dunning, F. B.; Yoshida, S.; Burgdörfer, J.

    2017-04-01

    Earlier studies have demonstrated that high n, n- 300 , Rydberg states can be manipulated with remarkable precision using one, or more, short half-cycle pulsed electric fields (HCPs). In the present work many body dynamics of interacting Rydberg systems is exploited to create an initial train of approximately equispaced high n Rydberg atoms in an atomic beam. Their mutual interactions are then increased using HCPs to excite them to states of much higher n, the degree of coupling being tuned by varying the final target state. Interest centers on energy exchange and ionization, and their dependence on the degree of interaction. The effects of interactions are monitored through changes in the atomic field ionization spectra and through the loss of Rydberg atoms from the beam. Understanding the details of Rydberg-Rydberg interactions promises to allow creation of long-lived Rydberg atom ensembles where, due to their correlated motions, the excited electrons remain far apart. Research supported by the NSF and Robert A. Welch Foundation.

  12. Study of the N=40 shell by using Coulomb excitation; Etude par excitation coulombienne de la fermeture de couche N=40

    Energy Technology Data Exchange (ETDEWEB)

    Leenhardt, St

    2000-01-01

    Two Coulomb excitation experiments on neutron rich exotic nuclei have been performed at GANIL. They allowed the measurement of the reduced transition probability B(E2) (from ground state to first excited state) of some nuclei around N = 40. This number, 40, is a half-magic number in the shell model. For nuclei with an important neutron excess, it is predicted that the shell closure is stronger at N = 40. The B(E2) is a good tool for testing this growing. We have measured, by using the LISE3 spectrometer and a {gamma} multidetector, B(E2) of {sup 68}Ni, {sup 66}Ni and {sup 72}Zn, unknown till now. We have used for the first time segmented germanium 'clovers' detector, for photon detection (v/c{approx}0.3). Results confirm the strong shell effect for {sup 68}Ni. Indeed {sup 68}Ni was shown to be the Nickel isotope with the lowest value of B(E2), and hence the most rigid isotope. Nevertheless it seems that the shell effect at N = 40 decreases rapidly, for other isotopes very close to {sup 68}Ni(Z = 28) and N = 40). (authors)

  13. Are Hadrons Shell-Structured?

    CERN Document Server

    Palazzi, Paolo

    2007-01-01

    A stability analysis of the mass spectrum indicates that hadrons, like atoms and nuclei, are shell-structured. The mesonic shells mass series, combined with the results of a mass quantization analysis, reveals striking similarities with the nuclear shells. In addition, the mesonic mass patterns suggest solid-phase partonic bound states on an fcc lattice, compatible with a model by A. O. Barut with stable leptons as constituents, bound by magnetism. Baryonic shells grow with a lower density, and only start at shell 3 with the nucleon.

  14. Luminescence emission from Al0.3Ga0.7N/GaN multi quantum disc core/shell nanowire: Numerical approach

    Science.gov (United States)

    Namvari, E.; Shojaei, S.; Asgari, A.

    2017-09-01

    In this work, a numerical approach to investigate the room temperature luminescence emission from core/shell nanowire is presented where GaN quantum discs (QDiscs), periodically distributed in AlxGa1-xN nanowire, is considered as core and AlxGa1-xN as shell. Thin disc shaped (Ring shaped) n-doped region has been placed at the GaN/ AlxGa1-xN (AlxGa1-xN /air) interface in AlxGa1-xN region in axial (radial) directions. To obtain energy levels and related wavefunctions, self-consistent procedure has been employed to solve Schrodinger-Poisson equations with considering the spontaneous and piezoelectric polarization. Then luminescence spectrum is studied in details to recognize the parameters influent in luminescence. The results show that the amount of doping, size of QDiscs and theirs numbers have remarkable effects on the band to band luminescence emission. Our numerical calculations gives some insights into the luminescence emission of core/shell nanowire and exhibits a useful tool to analyze findings in experiments.

  15. a-Axis GaN/AlN/AlGaN Core-Shell Heterojunction Microwires as Normally Off High Electron Mobility Transistors.

    Science.gov (United States)

    Song, Weidong; Wang, Rupeng; Wang, Xingfu; Guo, Dexiao; Chen, Hang; Zhu, Yuntao; Liu, Liu; Zhou, Yu; Sun, Qian; Wang, Li; Li, Shuti

    2017-11-29

    Micro/nanowire-based devices have been envisioned as a promising new route toward improved electronic and optoelectronic applications, which attracts considerable research interests. However, suffering from applicable strategies to synthesize uniform core-shell structures to meet the requirement for the investigations of electrical transport behaviors along the length direction or high electron mobility transistor (HEMT) devices, heterojunction wire-based electronics have been explored limitedly. In the present work, GaN/AlN/AlGaN core-shell heterojunction microwires on patterned Si substrates were synthesized without any catalyst via metalorganic chemical vapor deposition. The as-synthesized microwires had low dislocation, sharp, and uniform heterojunction interfaces. Electrical transport performances were evaluated by fabricating HEMTs on the heterojunction microwire channels. Results demonstrated that a normally off operation was achieved with a threshold voltage of 1.4 V, a high on/off current ratio of 108, a transconductance of 165 mS/mm, and a low subthreshold swing of 81 mV/dec. The normally off operation may attribute to the weak polarization along semipolar facets of the heterojunction, which leads to weak constrain of 2DEG.

  16. Energetics of a Li Atom adsorbed on B/N doped graphene with monovacancy

    Energy Technology Data Exchange (ETDEWEB)

    Rani, Babita, E-mail: babitabaghla15@gmail.com [Department of Physics, Panjab University, Chandigarh 160014 (India); Department of Physics, Punjabi University, Patiala 147002 (India); Jindal, V.K. [Department of Physics, Panjab University, Chandigarh 160014 (India); Dharamvir, Keya, E-mail: keya@pu.ac.in [Department of Physics, Panjab University, Chandigarh 160014 (India)

    2016-08-15

    We use density functional theory (DFT) to study the adsorption properties and diffusion of Li atom across B/N-pyridinic graphene. Regardless of the dopant type, B atoms of B-pyridinic graphene lose electron density. On the other hand, N atoms (p-type dopants) have tendency to gain electron density in N-pyridinic graphene. Higher chemical reactivity and electronic conductivity of B/N-pyridinic graphene are responsible for stronger binding of Li with the substrates as compared to pristine graphene. The binding energy of Li with B/N-pyridinic graphene exceeds the cohesive energy of bulk Li, making it energetically unfavourable for Li to form clusters on these substrates. Li atom gets better adsorbed on N-pyridinic graphene due to an additional p-p hybridization of the orbitals while Li on B-pyridinic prefers the ionic bonding. Also, significant distortion of N-pyridinic graphene upon Li adsorption is a consequence of the change in bonding mechanism between Li atom and the substrate. Our results show that bonding character and hence binding energies between Li and graphene can be tuned with the help of B/N doping of monovacancy defects. Further, the sites for most stable adsorption are different for the two types of doped and defective graphene, leading to greater Li uptake capacity of B-pyridinic graphene near the defect. In addition, B-pyridinic graphene offering lower diffusion barrier, ensures better Li kinetics. Thus, B-pyridinic graphene presents itself as a better anode material for LIBs as compared to N-pyridinic graphene. - Graphical abstract: Adsorption and diffusion of Li atom across the B/N doped monovacancy graphene is studied using ab-initio DFT calculations. Our results show that bonding mechanism and binding of Li with graphene can be tuned with the help of N/B doping of defects. Also, B-pyridinic graphene presents itself as a better anode material for lithium ion batteries as compared to N-pyridinic graphene. Display Omitted - Highlights: • Density

  17. Single Cobalt Atoms with Precise N-Coordination as Superior Oxygen Reduction Reaction Catalysts.

    Science.gov (United States)

    Yin, Peiqun; Yao, Tao; Wu, Yuen; Zheng, Lirong; Lin, Yue; Liu, Wei; Ju, Huanxin; Zhu, Junfa; Hong, Xun; Deng, Zhaoxiang; Zhou, Gang; Wei, Shiqiang; Li, Yadong

    2016-08-26

    A new strategy for achieving stable Co single atoms (SAs) on nitrogen-doped porous carbon with high metal loading over 4 wt % is reported. The strategy is based on a pyrolysis process of predesigned bimetallic Zn/Co metal-organic frameworks, during which Co can be reduced by carbonization of the organic linker and Zn is selectively evaporated away at high temperatures above 800 °C. The spherical aberration correction electron microscopy and extended X-ray absorption fine structure measurements both confirm the atomic dispersion of Co atoms stabilized by as-generated N-doped porous carbon. Surprisingly, the obtained Co-Nx single sites exhibit superior ORR performance with a half-wave potential (0.881 V) that is more positive than commercial Pt/C (0.811 V) and most reported non-precious metal catalysts. Durability tests revealed that the Co single atoms exhibit outstanding chemical stability during electrocatalysis and thermal stability that resists sintering at 900 °C. Our findings open up a new routine for general and practical synthesis of a variety of materials bearing single atoms, which could facilitate new discoveries at the atomic scale in condensed materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Preparation of N-Doped Composite Shell Encapsulated Iron Nanoparticles and Their Magnetic, Adsorptive, and Photocatalytic Properties

    Directory of Open Access Journals (Sweden)

    Caijing Shi

    2017-01-01

    Full Text Available The N-doped composite shell encapsulated iron nanoparticles (CSEINPs were prepared by DC arc discharge under nitrogen at 800°C, using the anode with high Fe content and good homogeneity. The morphology, microstructure, composition, and some properties of the N-doped CSEINPs were characterized by various characterization techniques. The results revealed that the shells of the N-doped CSEINPs were composed of homogeneously amorphous structure containing C, Fe, O, and N elements; the saturation magnetization (Ms and coercivity (Hc of them at room temperature were 130 emu/g and 194 Oe, respectively. Due to the surface structure and the electrostatic interaction, the N-doped CSEINPs are employed to remove methylene blue (MB from the waste solution, and they exhibited high adsorption properties and photocatalytic activity under irradiation of visible light (IVL. The kinetics of adsorption of MB on the N-doped CSEINPs was investigated and the recycling test was carried out. The formation mechanism of the N-doped CSEINPs is discussed briefly.

  19. Probing the N = 32 shell closure below the magic proton number Z = 20: Mass measurements of the exotic isotopes $^{52,53}$K

    CERN Document Server

    Rosenbusch, M.; Atanasov, D.; Barbieri, C.; Beck, D.; Blaum, K.; Borgmann, Ch.; Breitenfeldt, M.; Cakirli, R.B.; Cipollone, A.; George, S.; Herfurth, F.; Kowalska, M.; Kreim, S.; Lunney, D.; Manea, V.; Navrátil, P.; Neidherr, D.; Schweikhard, L.; Somà, V.; Stanja, J.; Wienholtz, F.; Wolf, R.N.; Zuber, K.

    2015-01-01

    The recently confirmed neutron-shell closure at N = 32 has been investigated for the first time below the magic proton number Z = 20 with mass measurements of the exotic isotopes 52,53K, the latter being the shortest-lived nuclide investigated at the online mass spectrometer ISOLTRAP. The resulting two-neutron separation energies reveal a 3 MeV shell gap at N = 32, slightly lower than for 52Ca, highlighting the doubly-magic nature of this nuclide. Skyrme-Hartree-Fock-Boguliubov and ab initio Gorkov-Green function calculations are challenged by the new measurements but reproduce qualitatively the observed shell effect.

  20. Lattice location of dopant atoms: An N-body model calculation

    Indian Academy of Sciences (India)

    Abstract. The channelling and scattering yields of 1 MeV α-particles in the (100),. (110) and (111) directions of silicon implanted with bismuth and ytterbium have been simulated using N-body model. The close encounter yield from dopant atoms in silicon is determined from the flux density, using the Bontemps and ...

  1. Structural and Theoretical Evidence of the Depleted Proton Affinity of the N3-Atom in Acyclovir

    Directory of Open Access Journals (Sweden)

    Esther Vílchez-Rodríguez

    2016-10-01

    Full Text Available The hydronium salt (H3O2[Cu(N7–acv2(H2O2(SO42]·2H2O (1, acv = acyclovir has been synthesized and characterized by single-crystal X-ray diffraction and spectral methods. Solvated Cu(OH2 is a by-product of the synthesis. In the all-trans centrosymmetric complex anion, (a the Cu(II atom exhibits an elongated octahedral coordination; (b the metal-binding pattern of acyclovir (acv consists of a Cu–N7(acv bond plus an (aquaO–H···O6(acv interligand interaction; and (c trans-apical/distal sites are occupied by monodentate O-sulfate donor anions. Neutral acyclovir and aqua-proximal ligands occupy the basal positions, stabilizing the metal binding pattern of acv. Each hydronium(1+ ion builds three H-bonds with O–sulfate, O6(acv, and O–alcohol(acv from three neighboring complex anions. No O atoms of solvent water molecules are involved as acceptors. Theoretical calculations of molecular electrostatic potential surfaces and atomic charges also support that the O-alcohol of the N9(acv side chain is a better H-acceptor than the N3 or the O-ether atoms of acv.

  2. Influence of N atomic percentages on cell attachment for CNx coatings

    Indian Academy of Sciences (India)

    Unknown

    Influence of N atomic percentages on cell attachment for CNx coatings. D J LI* and L F NIU. Department of Physics, Tianjin Normal University, Tianjin 300074, P.R. China. MS received 12 December 2002. Abstract. Carbon film is an excellent candidate for use as a biocompatible coating due to its excellent prop- erties.

  3. Electrocatalytic activity of atomic layer deposited Pt–Ru catalysts onto N-doped carbon nanotubes

    DEFF Research Database (Denmark)

    Johansson, Anne-Charlotte Elisabeth Birgitta; Larsen, Jackie Vincent; Verheijen, Marcel A.

    2014-01-01

    Pt–Ru catalysts of various compositions, between 0 and 100at.% of Ru, were deposited onto N-doped multi-walled carbon nanotubes (N-CNTs) by atomic layer deposition (ALD) at 250°C. The Pt and Ru precursors were trimethyl(methylcyclopentadienyl)platinum (MeCpPtMe3) and bis(ethylcyclopentadienyl)rut......Pt–Ru catalysts of various compositions, between 0 and 100at.% of Ru, were deposited onto N-doped multi-walled carbon nanotubes (N-CNTs) by atomic layer deposition (ALD) at 250°C. The Pt and Ru precursors were trimethyl(methylcyclopentadienyl)platinum (MeCpPtMe3) and bis......-up. For the compositions investigated, the catalysts with a Ru content of 29at.% exhibited highest catalytic activity....

  4. Sub-natural $N$-type Resonance in Cesium Atomic Vapor: splitting in magnetic fields

    CERN Document Server

    Slavov, D; Sarkisyan, D; Mirzoyan, R; Krasteva, A; Wilson-Gordon, A D; Cartaleva, S

    2013-01-01

    The sub-natural-width $N$-type resonance in {\\Lambda}-system, on the $D_2$ line of Cs atoms is studied for the first time in the presence of a buffer gas (neon) and the radiations of two continuous narrow band diode lasers. $L$ = 1 cm long cell is used to investigate $N$-type process. The $N$-type resonance in a magnetic field for $^{133}$Cs atoms is shown to split into seven or eight components, depending on the magnetic field and laser radiation directions. The results obtained indicate that levels $F_g$ = 3, 4 are initial and final in the N resonance formation. The experimental results with magnetic field agree well with the theoretical curves.

  5. Role of N-methyl-2-pyrrolidone for preparation of Fe{sub 3}O{sub 4}@SiO{sub 2} controlled the shell thickness

    Energy Technology Data Exchange (ETDEWEB)

    Wee, Sung-Bok [Hanyang University, Division of Materials Science and Engineering (Korea, Republic of); Oh, Hyeon-Cheol [Korea Nano Plus, Inc. (Korea, Republic of); Kim, Tae-Gyun; An, Gye-Seok; Choi, Sung-Churl, E-mail: choi0505@hanyang.ac.kr [Hanyang University, Division of Materials Science and Engineering (Korea, Republic of)

    2017-04-15

    We developed a simple and novel approach for the synthesis of Fe{sub 3}O{sub 4}@SiO{sub 2} nanoparticles with controlled shell thickness, and studied the mechanism. The introduction of N-methyl-2-pyrrolidone (NMP) led to trapping of monomer nuclei in single shell and controlled the shell thickness. Fe{sub 3}O{sub 4}@SiO{sub 2} controlled the shell thickness, showing a high magnetization value (64.47 emu/g). Our results reveal the role and change in the chemical structure of NMP during the core-shell synthesis process. NMP decomposed to 4-aminobutanoic acid in alkaline condition and decreased the hydrolysis rate of the silica coating process.

  6. Surface passivation of GaAs nanowires by the atomic layer deposition of AlN

    Energy Technology Data Exchange (ETDEWEB)

    Shtrom, I. V., E-mail: igorstrohm@mail.ru; Bouravleuv, A. D. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Samsonenko, Yu. B.; Khrebtov, A. I. [Russian Academy of Sciences, St. Petersburg National Research Academic University—Nanotechnology Research and Education Center (Russian Federation); Soshnikov, I. P. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Reznik, R. R.; Cirlin, G. E., E-mail: cirlin@beam.ioffe.ru [Russian Academy of Sciences, St. Petersburg National Research Academic University—Nanotechnology Research and Education Center (Russian Federation); Dhaka, V.; Perros, A.; Lipsanen, H. [Aalto University (Finland)

    2016-12-15

    It is shown that the atomic layer deposition of thin AlN layers can be used to passivate the surface states of GaAs nanowires synthesized by molecular-beam epitaxy. Studies of the optical properties of samples by low-temperature photoluminescence measurements shows that the photoluminescence-signal intensity can be increased by a factor of up to five by passivating the nanowires with a 25-Å-thick AlN layer.

  7. Optical trap potential control in N-type four level atoms by femtosecond Gaussian pulses

    CERN Document Server

    Chakraborty, Subhadeep

    2014-01-01

    In this work we present a scheme to control the optical dipole trap potential in an N-type four-level atomic system by using chirped femtosecond Gaussian pulses. The spatial size of the trap can be well controlled by tuning the beam waist of the Gaussian pulse and the detuning frequency. The trapping potential splits with increasing Rabi frequency about the center of the trap, a behavior analogous to the one observed experimentally in the context of trapping of nanoparticles with femtosecond pulses. An attempt is made to explain the physics behind this phenomenon by studying the spatial probability distribution of the atomic populations.

  8. Thermodynamics of hydration of fullerols [C60(OH)n] and hydrogen bond dynamics in their hydration shells

    Science.gov (United States)

    Keshri, Sonanki; Tembe, B. L.

    2017-02-01

    Molecular dynamics simulations of fullerene and fullerols [C60(OH)n, where n = 2-30] in aqueous solutions have been performed for the purpose of obtaining a detailed understanding of the structural and dynamic properties of these nanoparticles in water. The structures, dynamics and hydration free energies of the solute molecules in water have been analysed. Radial distribution functions, spatial density distribution functions and hydrogen bond analyses are employed to characterize the solvation shells of water around the central solute molecules. We have found that water molecules form two solvation shells around the central solute molecule. Hydrogen bonding in the bulk solvent is unaffected by increasing n. The large decrease in solvation enthalpies of these solute molecules for n > 14 enhances solubilisation. The diffusion constants of solute molecules decrease with increasing n. The solvation free energy of C60 in water is positive (52.8 kJ/mol), whereas its value for C60(OH)30 is highly negative (-427.1 kJ/mol). The effects of surface hydroxylation become more dominant once the fullerols become soluble.

  9. Thermodynamics of hydration of fullerols [C60(OH)n] and hydrogen bond dynamics in their hydration shells.

    Science.gov (United States)

    Keshri, Sonanki; Tembe, B L

    2017-02-21

    Molecular dynamics simulations of fullerene and fullerols [C60(OH)n, where n = 2-30] in aqueous solutions have been performed for the purpose of obtaining a detailed understanding of the structural and dynamic properties of these nanoparticles in water. The structures, dynamics and hydration free energies of the solute molecules in water have been analysed. Radial distribution functions, spatial density distribution functions and hydrogen bond analyses are employed to characterize the solvation shells of water around the central solute molecules. We have found that water molecules form two solvation shells around the central solute molecule. Hydrogen bonding in the bulk solvent is unaffected by increasing n. The large decrease in solvation enthalpies of these solute molecules for n > 14 enhances solubilisation. The diffusion constants of solute molecules decrease with increasing n. The solvation free energy of C60 in water is positive (52.8 kJ/mol), whereas its value for C60(OH)30 is highly negative (-427.1 kJ/mol). The effects of surface hydroxylation become more dominant once the fullerols become soluble.

  10. Along the N=126 closed shell: study of $^{205}$Au through its $\\pi h_{11/2}^{-1}$ isomeric decay

    CERN Multimedia

    2002-01-01

    Excited states have been identified in only three of the N=126 closed shell nuclei 'below' $^{208}$Pb, $^{207}$Tl, $^{206}$Hg and very recently $^{204}$Pt. We aim to extend our knowledge of the neutron-rich N=126 nuclei by observing the internal decay of the $\\pi h^{-1}_{11/2}$ excited state in $^{205}$Au, which is expected to be isomeric. In addition, the decay of the analogous states in the N=122 and N=124 $^{201,203}$Au will be studied. The lifetimes of the expected isomeric states are crucial for the success of the experiment, and they are estimated to be in the range of 0.3-20 s. These are long enough to enable the extraction from the source, but shorter than the $\\beta$-decay half-lives. Proton single-particle energies and transition rates will be extracted, providing information about the robustness of the N=126 shell-closure. Three days of beam-time is requested.

  11. Adsorption of alkali-metal atoms on GaN nanowires photocathode

    Science.gov (United States)

    Cui, Zhen; Li, Enling; Ke, Xizheng; Zhao, Taifei; Yang, Yufeng; Ding, Yingchun; Liu, Tong; Qu, Yao; Xu, Shan

    2017-11-01

    The adsorption of alkali-metal atoms on GaN nanowires photocathode was investigated by using first principles with density functional theory. The calculation of electronic and optical properties indicates that alkali metal adsorbed GaN nanowires are direct band gap semiconductor, and the band gap of GaN nanowires could be decreased by alkali metal adsorption. A new surface state near the Fermi level results from the Ga, N and alkali metal hybridization, which leads to form a metal electrical conductivity for GaN nanowires. More importantly, alkali metal adsorption can decrease the work function of GaN nanowires. Furthermore, the absorption spectrum of GaN nanowires is red shifted and moves to lower energy side because of alkali metal adsorption. Accordingly, this study will provide the theoretical basis for producing the alkali metal adsorbed GaN photoelectric devices.

  12. Precision mass measurements with ISOLTRAP to study the evolution of the $\\textit{N}$=82 shell gap far from stability

    CERN Multimedia

    Shell effects and their evolution across the nuclear chart impose important constraints on the modelling of the nucleon-nucleon interaction. The strength of shell closures in neutron-rich nuclei also influences the path of the $\\textit{r}$-process of nucleo-synthesis and the predicted elemental abundances. We propose to measure the masses of the isotopes $^{132,133}$In, $^{129-132}$Cd, $^{125-129}$Ag with the Penning-trap mass spectrometer ISOLTRAP. The recently developed multi-reflection time-of-flight mass separator of ISOLTRAP will allow, as a beam purifier, to handle higher contamination ratios than before and, for the more exotic cases, to directly determine the mass of the nuclides of interest. The masses of the proposed isotopes will allow the investigation of a possible weakening of the $\\textit{N}$ = 82 shell gap for $\\textit{Z}$ < 50 and corresponding $\\textit{r}$-process waiting point. This in turn enables an exploration of the impact on the $\\textit{A}$ = 130 $\\textit{r}$-process abundances.

  13. An exploding N-isocyanide reagent formally composed of anthracene, dinitrogen and a carbon atom.

    Science.gov (United States)

    Joost, Maximilian; Nava, Matthew; Transue, Wesley J; Cummins, Christopher C

    2017-10-17

    Targeted as an example of a compound composed of a carbon atom together with two stable neutral leaving groups, 7-isocyano-7-azadibenzonorbornadiene, CN2A (1, A = C14H10 or anthracene) has been synthesized and spectroscopically and structurally characterized. The terminal C atom of 1 can be transferred: mesityl nitrile oxide reacts with 1 to produce carbon monoxide, likely via intermediacy of the N-isocyanate OCN2A. Reaction of 1 with [RuCl2(CO)(PCy3)2] leads to [RuCl2(CO)(1)(PCy3)2] which decomposes unselectively: in the product mixture, the carbide complex [RuCl2(C)(PCy3)2] was detected. Upon heating in the solid state or in solution, 1 decomposes to A, N2 and cyanogen (C2N2) as substantiated using molecular beam mass spectrometry, IR and NMR spectroscopy techniques.

  14. Atomic resolution imaging of precipitate transformation from cubic TaN to tetragonal CrTaN

    DEFF Research Database (Denmark)

    Danielsen, Hilmar Kjartansson; Hald, John; Somers, Marcel A. J.

    2012-01-01

    In 9–12% Cr creep-resistant steels Cr(V,Nb,Ta)N Z-phase is known to replace metastable (V,Nb,Ta)N MN precipitates at high temperatures. The precipitation process of Z-phase does not follow the classical nucleation theory, where dissolving MN particles provide constituents for Z-phase nucleation...... in the matrix. Using atomic resolution transmission electron microscopy, the current work demonstrates that metastable cubic TaN precipitates in a complex steel gradually transform compositionally and crystallographically into stable tetragonal CrTaN precipitates under the influence of Cr indiffusion from...... the steel matrix....

  15. Strain engineering of atomic and electronic structures of few-monolayer-thick GaN

    Science.gov (United States)

    Kolobov, A. V.; Fons, P.; Saito, Y.; Tominaga, J.; Hyot, B.; André, B.

    2017-07-01

    Two-dimensional (2D) semiconductors possess the potential to ultimately minimize the size of devices and concomitantly drastically reduce the corresponding energy consumption. In addition, materials in their atomic-scale limit often possess properties different from their bulk counterparts paving the way to conceptually novel devices. While graphene and 2D transition-metal dichalcogenides remain the most studied materials, significant interest also exists in the fabrication of atomically thin structures from traditionally 3D semiconductors such as GaN. While in the monolayer limit GaN possesses a graphenelike structure and an indirect band gap, it was recently demonstrated that few-layer GaN acquires a Haeckelite structure in the direction of growth with an effectively direct gap. In this work, we demonstrate the possibility of strain engineering of the atomic and electronic structure of few-monolayer-thick GaN structures, which opens new avenues for their practical application in flexible nanoelectronics and nano-optoelectronics. Our simulations further suggest that due to the weak van der Waals-like interaction between a substrate and an overlayer, the use of a MoS2 substrate may be a promising route to fabricate few-monolayer Haeckelite GaN experimentally.

  16. Atom probe tomography studies of Al₂O₃ gate dielectrics on GaN

    Energy Technology Data Exchange (ETDEWEB)

    Mazumder, Baishakhi, E-mail: bmazumder@engineering.ucsb.edu; Wu, Feng; Speck, James S. [Materials Department, University of California, Santa Barbara, California 93106 (United States); Liu, Xiang; Yeluri, Ramya; Mishra, Umesh K. [Electrical and Computer Engineering Department, University of California, Santa Barbara, California 93106 (United States)

    2014-10-07

    Atom probe tomography was used to achieve three-dimensional characterization of in situ Al₂O₃/GaN structures grown by metal organic chemical vapor deposition (MOCVD). Al₂O₃ dielectrics grown at three different temperatures of 700, 900, and 1000 °C were analyzed and compared. A low temperature GaN cap layer grown atop Al₂O₃ enabled a high success rate in the atom probe experiments. The Al₂O₃/GaN interfaces were found to be intermixed with Ga, N, and O over the distance of a few nm. Impurity measurements data showed that the 1000 °C sample contains higher amounts of C (4 × 10¹⁹/cm³) and lower amounts of H (7 × 10¹⁹/cm³), whereas the 700 °C sample exhibits lower C impurities (<10¹⁷/cm³) and higher H incorporation (2.2 × 10²⁰/cm³). On comparing with Al₂O₃ grown by atomic layer deposition (ALD), it was found that the MOCVD Al₂O₃/GaN interface is comparatively abrupt. Scanning transmission electron microscopy data showed that the 900 °C and 1000 °C MOCVD films exhibit polycrystalline nature, while the ALD films were found to be amorphous.

  17. Long-range interactions of hydrogen atoms in excited states. III. n S -1 S interactions for n ≥3

    Science.gov (United States)

    Adhikari, C. M.; Debierre, V.; Jentschura, U. D.

    2017-09-01

    The long-range interaction of excited neutral atoms has a number of interesting and surprising properties such as the prevalence of long-range oscillatory tails and the emergence of numerically large van der Waals C6 coefficients. Furthermore, the energetically quasidegenerate n P states require special attention and lead to mathematical subtleties. Here we analyze the interaction of excited hydrogen atoms in n S states (3 ≤n ≤12 ) with ground-state hydrogen atoms and find that the C6 coefficients roughly grow with the fourth power of the principal quantum number and can reach values in excess of 240 000 (in atomic units) for states with n =12 . The nonretarded van der Waals result is relevant to the distance range R ≪a0/α , where a0 is the Bohr radius and α is the fine-structure constant. The Casimir-Polder range encompasses the interatomic distance range a0/α ≪R ≪ℏ c /L , where L is the Lamb shift energy. In this range, the contribution of quasidegenerate excited n P states remains nonretarded and competes with the 1 /R2 and 1 /R4 tails of the pole terms, which are generated by lower-lying m P states with 2 ≤m ≤n -1 , due to virtual resonant emission. The dominant pole terms are also analyzed in the Lamb shift range R ≫ℏ c /L . The familiar 1 /R7 asymptotics from the usual Casimir-Polder theory is found to be completely irrelevant for the analysis of excited-state interactions. The calculations are carried out to high precision using computer algebra in order to handle a large number of terms in intermediate steps of the calculation for highly excited states.

  18. Synthesis and characterization of a poly(lactic-co-glycolic acid) core + poly(N-isopropylacrylamide) shell nanoparticle system.

    Science.gov (United States)

    Kosinski, Aaron M; Brugnano, Jamie L; Seal, Brandon L; Knight, Frances C; Panitch, Alyssa

    2012-01-01

    Poly(lactic-co-glycolic acid) (PLGA) is a popular material used to prepare nanoparticles for drug delivery. However, PLGA nanoparticles lack desirable attributes including active targeting abilities, resistance to aggregation during lyophilization, and the ability to respond to dynamic environmental stimuli. To overcome these issues, we fabricated a nanoparticle consisting of a PLGA core encapsulated within a shell of poly(N-isopropylacrylamide). Dynamic light scattering and transmission electron microscope imaging were used to characterize the nanoparticles, while an MTT assay and ELISA suggested biocompatibility in THP1 cells. Finally, a collagen type II binding assay showed successful modification of these nanoparticles with an active targeting moiety.

  19. The effects of shell layer morphology and processing on the electrical and photovoltaic properties of silicon nanowire radial p+-n+ junctions

    Science.gov (United States)

    Wang, Xin; Ke, Yue; Kendrick, Chito E.; Weng, Xiaojun; Shen, Haoting; Kuo, Mengwei; Mayer, Theresa S.; Redwing, Joan M.

    2015-04-01

    Single wire p+-n+ radial junction nanowire solar cell devices were fabricated by low pressure chemical vapor deposition of n+ silicon shell layers on p+ silicon nanowires synthesized by vapor-liquid-solid growth. The n+-shell layers were deposited at two growth temperatures (650 °C and 950 °C) to study the impact of shell crystallinity on the device properties. The n-type Si shell layers deposited at 650 °C were polycrystalline and resulted in diodes that were not rectifying. A pre-coating anneal at 950 °C in H2 improved the structural quality of the shell layers and yielded diodes with a dark saturation current density of 3 × 10-5 A cm-2. Deposition of the n-type Si shell layer at 950 °C resulted in epitaxial growth on the nanowire core, which lowered the dark saturation current density to 3 × 10-7 A cm-2 and increased the solar energy conversion efficiency. Temperature-dependent current-voltage measurements demonstrated that the 950 °C coated devices were abrupt junction p+-n+ diodes with band-to-band tunneling at high reverse-bias voltage, while multi-step tunneling degraded the performance of devices fabricated with a 950 °C anneal and 650 °C coating. The higher trap density of the 950 °C annealed 650 °C coated devices is believed to arise from the polycrystalline nature of the shell layer coating, which results in an increased density of dangling bonds at the p+-n+ junction interface.

  20. The effects of shell layer morphology and processing on the electrical and photovoltaic properties of silicon nanowire radial p+ - n+ junctions.

    Science.gov (United States)

    Wang, Xin; Ke, Yue; Kendrick, Chito E; Weng, Xiaojun; Shen, Haoting; Kuo, Mengwei; Mayer, Theresa S; Redwing, Joan M

    2015-04-28

    Single wire p(+)-n(+) radial junction nanowire solar cell devices were fabricated by low pressure chemical vapor deposition of n(+) silicon shell layers on p(+) silicon nanowires synthesized by vapor-liquid-solid growth. The n(+)-shell layers were deposited at two growth temperatures (650 °C and 950 °C) to study the impact of shell crystallinity on the device properties. The n-type Si shell layers deposited at 650 °C were polycrystalline and resulted in diodes that were not rectifying. A pre-coating anneal at 950 °C in H2 improved the structural quality of the shell layers and yielded diodes with a dark saturation current density of 3 × 10(-5) A cm(-2). Deposition of the n-type Si shell layer at 950 °C resulted in epitaxial growth on the nanowire core, which lowered the dark saturation current density to 3 × 10(-7) A cm(-2) and increased the solar energy conversion efficiency. Temperature-dependent current-voltage measurements demonstrated that the 950 °C coated devices were abrupt junction p(+)-n(+) diodes with band-to-band tunneling at high reverse-bias voltage, while multi-step tunneling degraded the performance of devices fabricated with a 950 °C anneal and 650 °C coating. The higher trap density of the 950 °C annealed 650 °C coated devices is believed to arise from the polycrystalline nature of the shell layer coating, which results in an increased density of dangling bonds at the p(+)-n(+) junction interface.

  1. Electrospun core-shell nanofibers derived Fe-S/N doped carbon material for oxygen reduction reaction

    Science.gov (United States)

    Guo, Junxia; Niu, Qijian; Yuan, Yichun; Maitlo, Inamullh; Nie, Jun; Ma, Guiping

    2017-09-01

    One-dimensional (1D) nanomaterials have gained attention in energy conversion, storage, and catalyst due to the unique physical and chemical properties. Electrospinning is a kind of simple, versatile, and cost-effective technology to fabricate 1D functional nanofibers. Herein, electrospun polyacrylonitrile (PAN), melamine, and ferric chloride hexahydrate (FeCl3·6H2O) composite nanofibers are used as template, and polythiophene (PT) are prepared by photopolymerization technology on the surface of electrospun nanofibers as shell part of fibers. Then, the core-shell nanofibers are pyrolyzed and converted into Fe-S/N-C nanofibers, which can be used as catalysts for ORR due to the metal and S-/N-codoped structure and unique 1D structure which provided facile pathways for efficient mass transport and charge transfer. The ORR electrocatalytic ability of Fe-S/N-C nanofibers is tested and present excellent property, especially in stability and methanol crossover. The electrocatalytic ability of sample is comparable to that of 20 wt% Pt/C benchmarks. These results offer an easy pathway for exploring metal-heteroatom-codoped carbon nanofibers applicable for ORR catalyst.

  2. Suppression of non-radiative surface recombination by N incorporation in GaAs/GaNAs core/shell nanowires

    Science.gov (United States)

    Chen, Shula L.; Chen, Weimin M.; Ishikawa, Fumitaro; Buyanova, Irina A.

    2015-01-01

    III-V semiconductor nanowires (NWs) such as GaAs NWs form an interesting artificial materials system promising for applications in advanced optoelectronic and photonic devices, thanks to the advantages offered by the 1D architecture and the possibility to combine it with the main-stream silicon technology. Alloying of GaAs with nitrogen can further enhance performance and extend device functionality via band-structure and lattice engineering. However, due to a large surface-to-volume ratio, III-V NWs suffer from severe non-radiative carrier recombination at/near NWs surfaces that significantly degrades optical quality. Here we show that increasing nitrogen composition in novel GaAs/GaNAs core/shell NWs can strongly suppress the detrimental surface recombination. This conclusion is based on our experimental finding that lifetimes of photo-generated free excitons and free carriers increase with increasing N composition, as revealed from our time-resolved photoluminescence (PL) studies. This is accompanied by a sizable enhancement in the PL intensity of the GaAs/GaNAs core/shell NWs at room temperature. The observed N-induced suppression of the surface recombination is concluded to be a result of an N-induced modification of the surface states that are responsible for the nonradiative recombination. Our results, therefore, demonstrate the great potential of incorporating GaNAs in III-V NWs to achieve efficient nano-scale light emitters. PMID:26100755

  3. Nuclear moments and charge radii of argon isotopes between the neutron-shell closures N=20 and N=28

    CERN Document Server

    Blaum, K; Lassen, J; Lievens, P; Marinova, K; Neugart, R

    2008-01-01

    We report the measurement of optical isotope shifts for $^{40-44}\\!$Ar relative to $^{38}$Ar from which changes in the mean square nuclear charge radii across the 1$\\scriptstyle{f}_{7/2}$ neutron shell are deduced. In addition, the hyperfine structure of $^{41\\!}$Ar and $^{43}$Ar yields the spins, magnetic dipole and electric quadrupole moments, in particular the spin $\\,\\scriptstyle\\textrm{I}$ = 5/2 for $\\,^{43}\\!$Ar. The investigations were carried out by fast-beam collinear laser spectroscopy using highly sensitive detection based on optical pumping and state-selective collisional ionization. Mean square charge radii are now known from $^{32}$Ar to $^{46}$Ar, covering sd-shell as well as $\\scriptstyle{f}_{7/2}$-shell nuclei. They are discussed in the framework of spherical SGII Skyrme-type Hartree-Fock calculations, semi-empirically corrected for quadrupole core polarization. The Zamick-Talmi formula excellently describes the charge radii across the $\\scriptstyle{f}_{7/2}$ neutron shell, as it does for the...

  4. N2O + CO reaction over single Ga or Ge atom embedded graphene: A DFT study

    Science.gov (United States)

    Esrafili, Mehdi D.; Vessally, Esmail

    2018-01-01

    The possibility of using a single Ga or Ge atom embedded graphene as an efficient catalyst for the reduction of N2O molecule by CO is examined. We perform density functional theory calculations to calculate adsorption energies as well as analysis of the structural and electronic properties of different species involved in the N2O + CO reaction. The large activation energy for the diffusion of the single Ga or Ge atom on the C vacancy site of graphene shows the high stability of both Ga- and Ge-embedded graphene sheets in the N2O reduction. The activation energy needed for the decomposition of N2O is calculated to be 18.4 and 14.1 kcal/mol over Ga- and Ge-embedded graphene, respectively. The results indicate that the Ge-embedded graphene may serve as an effective catalyst for the N2O reduction. Moreover, the activation energy for the disproportionation of N2O molecules that generates N2 and O2 is relatively high; so, the generation of these side products may be hindered by decreasing the temperature.

  5. Feasibility study of thin films deposited on a self-supporting carbon grid substrate target on the measurement of atomic inner-shell ionization cross-sections impacted by 3-30 keV electrons

    Science.gov (United States)

    Qian, Z. C.; Wu, Y.; Chang, C. H.; Yuan, Y.; Mei, C. S.; Zhu, J. J.; Moharram, K.

    2017-04-01

    In this paper, we have measured the Lα , Lβ and Mα β X-ray production cross-sections of the W element and the K-shell ionization cross-sections of the Al element impacted by 3-30 keV electrons. A new kind of target consisting of a thin film deposited on a self-supporting carbon grid substrate has been used in this work. The self-supporting carbon grid substrate is made of several layers of super-aligned carbon nanotube arrays (the mass thickness of each layer of super-aligned carbon nanotube arrays is 20 μg/cm2). As a comparison, three kinds of targets consisting of a) the studied element deposited onto four layers of super-aligned carbon nanotube arrays and separated from each other by one layer of single carbon atoms, b) the studied element deposited directly onto four layers of super-aligned carbon nanotube arrays, and c) the studied element deposited directly onto two layers of super-aligned carbon nanotube arrays, were respectively prepared to figure out which type is fit for the measurement of inner-shell ionization cross-sections induced by 3-30 keV electrons. The experimental data are compared with the distorted-wave Born approximation (DWBA) theoretical predictions and with the available experimental data from other references. The results show that the first and the second targets are both suitable for the inner-shell ionization cross-section measurements by 3-30 keV electrons, but the third target is not. Besides, we present the M-shell X-ray production cross-sections of the W element by 5-30 keV electrons in this paper for the first time.

  6. Magnetic Co@g-C3N4 Core-Shells on rGO Sheets for Momentum Transfer with Catalytic Activity toward Continuous-Flow Hydrogen Generation.

    Science.gov (United States)

    Duan, Shasha; Han, Guosheng; Su, Yongheng; Zhang, Xiaoyu; Liu, Yanyan; Wu, Xianli; Li, Baojun

    2016-06-28

    Magnetic core-shell structures provide abundant opportunities for the construction of multifunctional composites. In this article, magnetic core-shells were fabricated with Co nanoparticles (NPs) as cores and g-C3N4 as shells. In the fabrication process, the Co@g-C3N4 core-shells were anchored onto the rGO nanosheets to form a Co@g-C3N4-rGO composite (CNG-I). For hydrogen generation from the hydrolysis of NaBH4 or NH3BH3, the Co NP cores act as catalytic active sites. The g-C3N4 shells protect Co NPs cores from aggregating or growing. The connection between Co NPs and rGO was strengthened by the g-C3N4 shells to prevent them from leaching or flowing away. The g-C3N4 shells also work as a cocatalyst for hydrogen generation. The magnetism of Co NPs and the shape of rGO nanosheets achieve effective momentum transfer in the external magnetic field. In the batch reactor, a higher catalytic activity was obtained for CNG-I in self-stirring mode than in magneton stirring mode. In the continuous-flow process, stable hydrogen generation was carried out with CNG-I being fixed and propelled by the external magnetic field. The separation film is unnecessary because of magnetic momentum transfer. This idea of the composite design and magnetic momentum transfer will be useful for the development of both hydrogen generation and multifunctional composite materials.

  7. Shell evolution above Z ,N =50 within Skyrme density functional theory: The impact of deformation and tensor interactions

    Science.gov (United States)

    Shi, Yue

    2017-03-01

    Background: Recent years have seen considerable effort in associating the shell evolution (SE) for a chain of isotones or isotopes with the underlying nuclear interactions. In particular, it has been fairly well established that the tensor part of the Skyrme interaction is indispensable for understanding certain SE above Z ,N =50 shell closures, as a function of nucleon numbers. Purpose: The purpose of the present work is twofold: (1) to study the effect of deformation due to blocking on the SE above Z ,N =50 shell closures and (2) to examine the optimal parametrizations in the tensor part which gives a proper description of the SE above Z ,N =50 shell closures. Methods: I use the Skyrme-Hartree-Fock-Bogoliubov (SHFB) method to compute the even-even vacua of the Z =50 isotopes and N =50 isotones. For Sb and odd-A Sn isotopes, I perform calculations with a blocking procedure which accounts for the polarization effects, including deformations. Results: The blocking SHFB calculations show that the light odd-A Sb isotopes, with only one valence proton occupying down-sloping Ω =11 /2- and Ω =7 /2+ Nilsson orbits, assume finite oblate deformations. This reduces the energy differences between 11 /2- and 7 /2+ states by about 500 keV for 51Sb56 -66 , bringing the energy-difference curve closer to the experimental one. With une2t1 energy density functional (EDF), which differs from unedf2 parametrization by tensor terms, a better description of the slope of Δ e (π 1 h11 /2-π 1 g7 /2) as a function of neutron number has been obtained. However, the trend of Δ e (π 1 g7 /2-π 2 d5 /2) curve is worse using une2t1 EDF. Δ e (ν 3 s1 /2-ν 2 d5 /2) and Δ e (ν 1 g7 /2-ν 2 d5 /2) curve for N =50 isotones using une2t1 seems to be consistent with experimental data. The neutron SE of Δ e (ν 1 h11 /2-ν 1 g7 /2) and Δ e (ν 1 g7 /2-ν 2 d5 /2) for Sn isotopes are shown to be sensive to αT tensor parameter. Conclusions: Within the Skyrme self-consistent mean-field model

  8. Electron Stark Broadening Database for Atomic N, O, and C Lines

    Science.gov (United States)

    Liu, Yen; Yao, Winifred M.; Wray, Alan A.; Carbon, Duane F.

    2012-01-01

    A database for efficiently computing the electron Stark broadening line widths for atomic N, O, and C lines is constructed. The line width is expressed in terms of the electron number density and electronatom scattering cross sections based on the Baranger impact theory. The state-to-state cross sections are computed using the semiclassical approximation, in which the atom is treated quantum mechanically whereas the motion of the free electron follows a classical trajectory. These state-to-state cross sections are calculated based on newly compiled line lists. Each atomic line list consists of a careful merger of NIST, Vanderbilt, and TOPbase line datasets from wavelength 50 nm to 50 micrometers covering the VUV to IR spectral regions. There are over 10,000 lines in each atomic line list. The widths for each line are computed at 13 electron temperatures between 1,000 K 50,000 K. A linear least squares method using a four-term fractional power series is then employed to obtain an analytical fit for each line-width variation as a function of the electron temperature. The maximum L2 error of the analytic fits for all lines in our line lists is about 5%.

  9. N-doped yolk-shell hollow carbon sphere wrapped with graphene as sulfur host for high-performance lithium-sulfur batteries

    Science.gov (United States)

    Zhang, Yongzheng; Sun, Kai; Liang, Zhan; Wang, Yanli; Ling, Licheng

    2018-01-01

    N-doped yolk-shell hollow carbon sphere wrapped with reduced graphene oxide (rGO/N-YSHCS) is designed and fabricated as sulfur host for lithium-sulfur batteries. The shuttle effect of polysulfides can be suppressed effectively by the porous yolk-shell structure, graphene layer and N-doping. A good conductivity network is provided for electron transportation through the graphene layer coupled with the unique yolk-shell carbon matrix. Such unique structure offers the synthesized rGO/N-YSHCS/S electrode with a high reversible capacity (800 mAh g-1 at 0.2 C after 100 cycles) and good high-rate capability (636 mAh g-1 at 1 C and 540 mAh g-1 at 2 C).

  10. HPAM: Hirshfeld partitioned atomic multipoles

    Science.gov (United States)

    Elking, Dennis M.; Perera, Lalith; Pedersen, Lee G.

    2012-02-01

    An implementation of the Hirshfeld (HD) and Hirshfeld-Iterated (HD-I) atomic charge density partitioning schemes is described. Atomic charges and atomic multipoles are calculated from the HD and HD-I atomic charge densities for arbitrary atomic multipole rank l on molecules of arbitrary shape and size. The HD and HD-I atomic charges/multipoles are tested by comparing molecular multipole moments and the electrostatic potential (ESP) surrounding a molecule with their reference ab initio values. In general, the HD-I atomic charges/multipoles are found to better reproduce ab initio electrostatic properties over HD atomic charges/multipoles. A systematic increase in precision for reproducing ab initio electrostatic properties is demonstrated by increasing the atomic multipole rank from l=0 (atomic charges) to l=4 (atomic hexadecapoles). Both HD and HD-I atomic multipoles up to rank l are shown to exactly reproduce ab initio molecular multipole moments of rank L for L⩽l. In addition, molecular dipole moments calculated by HD, HD-I, and ChelpG atomic charges only ( l=0) are compared with reference ab initio values. Significant errors in reproducing ab initio molecular dipole moments are found if only HD or HD-I atomic charges used. Program summaryProgram title: HPAM Catalogue identifier: AEKP_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKP_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License v2 No. of lines in distributed program, including test data, etc.: 500 809 No. of bytes in distributed program, including test data, etc.: 13 424 494 Distribution format: tar.gz Programming language: C Computer: Any Operating system: Linux RAM: Typically, a few hundred megabytes Classification: 16.13 External routines: The program requires 'formatted checkpoint' files obtained from the Gaussian 03 or Gaussian 09 quantum chemistry program. Nature of problem: An ab initio

  11. Negative-parity intruder states of the neutron-rich N=20, Z=14-16 isotones: a 1{Dirac_h}{omega} shell model description

    Energy Technology Data Exchange (ETDEWEB)

    Bouhelal, M. [Universite de Strasbourg, IPHC, CNRS/IN2P3, Strasbourg (France); Universite de Batna, Departement de Physique, Faculte des Sciences, Batna (Algeria); Haas, F.; Caurier, E.; Nowacki, F. [Universite de Strasbourg, IPHC, CNRS/IN2P3, Strasbourg (France); Bouldjedri, A. [Universite de Batna, Departement de Physique, Faculte des Sciences, Batna (Algeria)

    2009-12-15

    In order to get a consistent shell model description of the negative-parity states throughout the sd shell a new interaction (PSDPFB) has been developed. It was derived in the full p-sd-pf model space and is built on existing interactions for the major shells with adjustments of the cross-shell monopoles. The calculated energy spectra for these 1{Dirac_h}{omega} intruder states are compared to experiment for the N=20 neutron-rich isotones {sup 34}Si, {sup 35}P and {sup 36}S. A systematics for the multiplet configuration {nu}(d{sub 3/2}{sup -1}f{sub 7/2}{sup 1}) in even-even isotones from {sup 34}Si to {sup 40}Ca is also presented. (orig.)

  12. Probing poly(N-isopropylacrylamide-co-butylacrylate)/cell interactions by atomic force microscopy.

    Science.gov (United States)

    Natalia, Becerra; Henry, Andrade; Betty, López; Marina, Restrepo Luz; Roberto, Raiteri

    2015-01-01

    Poly(N-isopropylacrylamide) based hydrogels have been proposed as cell culture supports in cell sheet engineering. Toward this goal, we characterized the poly(N-isopropylacrylamide-co-butylacrylate) copolymer thermo-sensitivity and the cell/copolymer interactions above and below the copolymer lower critical solution temperature. We did that by direct force measurements at different temperatures using an atomic force microscope with either a polystyrene or a glass microbead as probes. We used a copolymer-coated microbead to measure adhesion after a short contact time with a single fibroblast in culture. Statistical analysis of the maximum adhesion force and the mechanical work necessary to separate the probe from the cell surface confirmed the hydrophilic/hydrophobic behavior of poly(N-isopropylacrylamide-co-butylacrylate) as a function of temperature in the range 20-37°C and, consequently, a reversible increase/decrease in cell adhesion with the copolymer. As control experiments we measured interactions between uncoated microbeads with the copolymer hydrogel or cells as well as interaction of the Poly(N-isopropylacrylamide) homopolymer with cells. These results show the potential of an assay based on atomic force microscopy for an in situ and quantitative assessment of cell/substrate interactions and support the use of poly(N-isopropylacrylamide-co-butylacrylate) copolymer as an efficient culture substrate in cell sheet engineering. © 2014 Wiley Periodicals, Inc.

  13. Solar-energy conversion and light emission in an atomic monolayer p-n diode.

    Science.gov (United States)

    Pospischil, Andreas; Furchi, Marco M; Mueller, Thomas

    2014-04-01

    The limitations of the bulk semiconductors currently used in electronic devices-rigidity, heavy weight and high costs--have recently shifted the research efforts to two-dimensional atomic crystals such as graphene and atomically thin transition-metal dichalcogenides. These materials have the potential to be produced at low cost and in large areas, while maintaining high material quality. These properties, as well as their flexibility, make two-dimensional atomic crystals attractive for applications such as solar cells or display panels. The basic building blocks of optoelectronic devices are p-n junction diodes, but they have not yet been demonstrated in a two-dimensional material. Here, we report a p-n junction diode based on an electrostatically doped tungsten diselenide (WSe2) monolayer. We present applications as a photovoltaic solar cell, a photodiode and a light-emitting diode, and obtain light-power conversion and electroluminescence efficiencies of ∼ 0.5% and ∼ 0.1%, respectively. Given recent advances in the large-scale production of two-dimensional crystals, we expect them to profoundly impact future developments in solar, lighting and display technologies.

  14. Morphology and atomic structure of InGaN(0001) surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Biermann, Amelie; Friedrich, Christian; Kneissl, Michael; Vogt, Patrick [TU Berlin (Germany). Institute of Solid State Physics EW6-1; Hoffmann, Veit [Ferdinand-Braun-Institut f. Hoechstfrequenztechnik, Berlin (Germany); Esser, Norbert [ISAS-Berlin (Germany); TU Berlin (Germany). Institute of Solid State Physics EW6-1

    2010-07-01

    Group III-nitrides offer a broad application spectrum in optoelectronic devices. Although the fabrication of high-quality devices requires the control of nanometer thick layers, there is only limited knowledge about the atomic structure of the surface. Here we present a study on the morphology and atomic structure of (0001) In{sub x}Ga{sub 1-x}N surfaces grown by MOVPE. Samples are prepared under UHV conditions by thermal annealing between 600 C and 800 C to achieve clean, decontaminated surfaces. Additionally thermally cracked ammonia and nitrogen plasma are used as nitrogen sources in order to vary surface stoichiometries and to prevent nitrogen depletion of the crystal. The chemical composition of the surface during preparation is determined by Auger Electron Spectroscopy. Clean (0001) In{sub x}Ga{sub 1-x}N surfaces were prepared at 760 C revealing no surface carbon and low residual oxygen compounds. Depending on the surface preparation, surface structures showing different surface symmetries such as (1 x 1), (1+1/6) or (2 x 2) were obtained as determined by LEED. The chemical composition remains similar for all structures. In order to get further information STM measurements of the atomic structure are presented.

  15. Photon-Mediated Interactions: A Scalable Tool to Create and Sustain Entangled States of N Atoms

    Directory of Open Access Journals (Sweden)

    Camille Aron

    2016-03-01

    Full Text Available We propose and study the use of photon-mediated interactions for the generation of long-range steady-state entanglement between N atoms. Through the judicious use of coherent drives and the placement of the atoms in a network of cavity QED systems, a balance between their unitary and dissipative dynamics can be precisely engineered to stabilize a long-range correlated state of qubits in the steady state. We discuss the general theory behind such a scheme and present an example of how it can be used to drive a register of N atoms to a generalized W state and how the entanglement can be sustained indefinitely. The achievable steady-state fidelities for entanglement and its scaling with the number of qubits are discussed for presently existing superconducting quantum circuits. While the protocol is primarily discussed for a superconducting circuit architecture, it is ideally realized in any cavity QED platform that permits controllable delivery of coherent electromagnetic radiation to specified locations.

  16. Position-controlled MOVPE growth and electro-optical characterization of core-shell InGaN/GaN microrod LEDs

    Science.gov (United States)

    Schimpke, Tilman; Lugauer, H.-J.; Avramescu, A.; Varghese, T.; Koller, A.; Hartmann, J.; Ledig, J.; Waag, A.; Strassburg, M.

    2016-03-01

    Today's InGaN-based white LEDs still suffer from a significant efficiency reduction at elevated current densities, the so-called "Droop". Core-shell microrods, with quantum wells (QWs) covering their entire surface, enable a tremendous increase in active area scaling with the rod's aspect ratio. Enlarging the active area on a given footprint area is a viable and cost effective route to mitigate the droop by effectively reducing the local current density. Microrods were grown in a large volume metal-organic vapor phase epitaxy (MOVPE) reactor on GaN-on-sapphire substrates with a thin, patterned SiO2 mask for position control. Out of the mask openings, pencil-shaped n-doped GaN microrod cores were grown under conditions favoring 3D growth. In a second growth step, these cores are covered with a shell containing a quantum well and a p-n junction to form LED structures. The emission from the QWs on the different facets was studied using resonant temperature-dependent photoluminescence (PL) and cathodoluminescence (CL) measurements. The crystal quality of the structures was investigated by transmission electron microscopy (TEM) showing the absence of extended defects like threading dislocations in the 3D core. In order to fabricate LED chips, dedicated processes were developed to accommodate for the special requirements of the 3D geometry. The electrical and optical properties of ensembles of tens of thousands microrods connected in parallel are discussed.

  17. Atomic scattering spectroscopy for determination of the polarity of semipolar AlN grown on ZnO

    Science.gov (United States)

    Kobayashi, Atsushi; Ueno, Kohei; Ohta, Jitsuo; Oshima, Masaharu; Fujioka, Hiroshi

    2013-11-01

    Determination of the polarity of insulating semipolar AlN layers was achieved via atomic scattering spectroscopy. The back scattering of neutralized He atoms on AlN surfaces revealed the atomic alignment of the topmost layers of semipolar AlN and the ZnO substrate. Pole figures of the scattering intensity were used to readily determine the polarity of these wurtzite-type semipolar materials. In addition, we found that +R-plane AlN epitaxially grows on -R-plane ZnO, indicating that the polarity flips at the semipolar AlN/ZnO interface. This polarity flipping is possibly explained by the appearance of -c and m-faces on the -R ZnO surfaces, which was also revealed by atomic scattering spectroscopy.

  18. Study of the effect of shell stabilization of the collective isovector valence-shell excitations along the N=80 isotonic chain

    CERN Multimedia

    It is proposed to investigate the microscopic mechanism which leads to a concentration or a fragmentation of the quadrupole-collective isovector valence-shell excitations, the so-called mixed-symmetry states (MSSs), an effect called shell stabilization of MSSs. This aim will be achieved by identification of MSSs of the unstable nuclei $^{140}$Nd and $^{142}$Sm. The first steps of this program have been undertaken in two subsequent REX-ISOLDE experiments (IS496) in which we have measured the B(E2; 2$^{+}_{1}$$\\rightarrow$ 0$^{+}_{1}$) transition strengths in the radioactive nuclei $^{140}$Nd and $^{142}$Sm. By using these data and the higher beam energy of HIE-ISOLDE we propose now to identify the MSSs of these nuclei by measuring their relative populations with respect to the population of the first 2$^{+}$ states in Coulomb excitation (CE) reactions.

  19. Atomic and electronic structure of mixed and partial dislocations in GaN.

    Science.gov (United States)

    Arslan, Ilke; Bleloch, Andrew; Stach, Eric A; Browning, Nigel D

    2005-01-21

    Here we present a detailed study of mixed dislocations in GaN, in which the complexities of the atomic arrangement in the cores have been imaged directly for the first time using an aberration corrected scanning transmission electron microscope. In addition to being present as a full-core structure, the mixed dislocation is observed to dissociate into partial dislocations separated by a stacking fault only a few unit cells in length. The generation of this stacking fault appears to be impurity driven and its presence is consistent with theoretical predictions for dislocation dissociation in materials with hexagonal crystal symmetry.

  20. Recent N-Atom Containing Compounds from Indo-Pacific Invertebrates

    Science.gov (United States)

    Kashman, Yoel; Bishara, Ashgan; Aknin, Maurice

    2010-01-01

    A large variety of unique N-atom containing compounds (alkaloids) without terrestrial counterparts, have been isolated from marine invertebrates, mainly sponges and ascidians. Many of these compounds display interesting biological activities. In this report we present studies on nitrogenous compounds, isolated by our group during the last few years, from Indo-Pacific sponges, one ascidian and one gorgonian. The major part of the review deals with metabolites from the Madagascar sponge Fascaplysinopsis sp., namely, four groups of secondary metabolites, the salarins, tulearins, taumycins and tausalarins. PMID:21139846

  1. TiO2/ZnO and ZnO/TiO2 core/shell nanofibers prepared by electrospinning and atomic layer deposition for photocatalysis and gas sensing

    Science.gov (United States)

    Boyadjiev, Stefan I.; Kéri, Orsolya; Bárdos, Péter; Firkala, Tamás; Gáber, Fanni; Nagy, Zsombor K.; Baji, Zsófia; Takács, Máté; Szilágyi, Imre M.

    2017-12-01

    In the present work, core TiO2 and ZnO oxide nanofibers were prepared by electrospinning, then shell oxide (ZnO, TiO2) layers were deposited on them by atomic layer deposition (ALD). The aim of preparing ZnO and TiO2 nanofibers, as well as ZnO/TiO2 and TiO2/ZnO nanocomposites is to study the interaction between the oxide materials when a pure oxide fiber is covered with thin film of the other oxide, and explore the influence of exchanging the core and shell materials on their photocatalytic and gas sensing properties. The composition, structure and morphology of the pure and composite nanofibers were studied by SEM-EDX, TEM, XRD, FTIR, UV-vis and Raman. The photocatalytic activity of the as-prepared materials was analyzed by UV-vis spectroscopy through decomposing aqueous methyl orange under UV irradiation. The gas sensing of the nanofibers was investigated by detecting 100 ppm NH3 at 150 and 220 °C using interdigital electrode based sensors.

  2. Atomic force microscopy studies of homoepitaxial GaN layers grown on GaN template by laser MBE

    Science.gov (United States)

    Choudhary, B. S.; Singh, A.; Tanwar, S.; Tyagi, P. K.; Kumar, M. Senthil; Kushvaha, S. S.

    2016-04-01

    We have grown homoepitaxial GaN films on metal organic chemical vapor deposition (MOCVD) grown 3.5 µm thick GaN on sapphire (0001) substrate (GaN template) using an ultra-high vacuum (UHV) laser assisted molecular beam epitaxy (LMBE) system. The GaN films were grown by laser ablating a polycrystalline solid GaN target in the presence of active r.f. nitrogen plasma. The influence of laser repetition rates (10-30 Hz) on the surface morphology of homoepitaxial GaN layers have been studied using atomic force microscopy. It was found that GaN layer grown at 10 Hz shows a smooth surface with uniform grain size compared to the rough surface with irregular shape grains obtained at 30 Hz. The variation of surface roughness of the homoepitaxial GaN layer with and without wet chemical etching has been also studied and it was observed that the roughness of the film decreased after wet etching due to the curved structure/rough surface.

  3. Production of neutron-rich nuclides in the vicinity of N = 126 shell closure in multinucleon transfer reactions

    Directory of Open Access Journals (Sweden)

    Karpov Alexander

    2017-01-01

    Full Text Available Multinucleon transfer in low-energy nucleus-nucleus collisions is widely discussed as a method of production of yet-unknown neutron-rich nuclei hardly accessible (or inaccessible by other methods. Modeling of complicated dynamics of nuclear reactions induced by heavy ions is done within a multidimensional dynamical model of nucleus-nucleus collisions based on the Langevin equations. The model gives a continuous description of the system evolution starting from the well-separated target and projectile in the entrance channel of the reaction up to the formation of final reaction products. In this paper, rather recent sets of experimental data for the 136Xe+198Pt,208Pb reactions are analyzed together with the production cross sections for neutron-rich nuclei in the vicinity of the N = 126 magic shell.

  4. Conversión de esquemas preconceptuales a diagrama de casos de uso empleando atom3

    Directory of Open Access Journals (Sweden)

    CARLOS M. ZAPATA J

    2007-01-01

    Full Text Available El diagrama de casos de uso describe las interacciones entre un usuario y una pieza de software. Se han realizado algunos trabajos que buscan la generación automática o semiautomática del diagrama de casos de uso desde descripciones en lenguajes naturales o controlados. Sin embargo, estos esfuerzos no han sido suficientes porque algunos parten de un lenguaje controlado orientado a la solución, la cual no existe en las etapas iniciales del ciclo de vida del software; otros trabajos requieren una alta intervención del analista para la generación del diagrama, lo cual es altamente inconveniente si se trata de automatizar el proceso; finalmente, no se identifican todos los elementos del diagrama de casos de uso, en particular las relaciones especiales (>, > e >. En este artículo se define un método basado en reglas heurísticas que permite identificar los actores, los casos de uso y las relaciones especiales del diagrama de casos de uso, tomando como punto de partida una representación en lenguaje controlado del dominio del problema: los denominados esquemas preconceptuales. Además, se realiza la implementación de estas heurísticas en la herramienta metaCASE AToM3 y se ejemplifica con un caso de estudio

  5. Metastable atomic species in the N{sub 2} flowing afterglow

    Energy Technology Data Exchange (ETDEWEB)

    Levaton, J. [Laboratorio Nacional de Ciencia e Tecnologia do Bioetanol - CTBE/CNPEM, Caixa Postal 6170, 13083-970 Campinas, Sao Paulo (Brazil); Amorim, J., E-mail: jayr.amorim@bioetanol.org.br [Laboratorio Nacional de Ciencia e Tecnologia do Bioetanol - CTBE/CNPEM, Caixa Postal 6170, 13083-970 Campinas, Sao Paulo (Brazil)

    2012-03-13

    Graphical abstract: Calculated N({sup 4}S), N({sup 2}D) and N({sup 2}P) absolute densities as a function of the afterglow time. Highlights: Black-Right-Pointing-Pointer Nitrogen flowing post-discharge. Black-Right-Pointing-Pointer N({sup 4}S) and N({sup 2}D) densities. Black-Right-Pointing-Pointer Kinetic numerical model of the nitrogen afterglow. - Abstract: We have studied by optical emission spectroscopy the post-discharge of a pure N{sub 2} DC flowing discharge in such experimental conditions that the pink afterglow and the Lewis-Rayleigh afterglow occur. The emission profiles originated from the N{sub 2}(B{sup 3}{Pi}{sub g}), N{sub 2}(C{sup 3}{Pi}{sub u}) and N{sub 2}{sup +}(B{sup 2}{Sigma}{sub u}{sup +}) states and the N{sub 2}(B{sup 3}{Pi}{sub g},6{<=}v{<=}12) and N{sub 2}(C{sup 3}{Pi}{sub u},0{<=}v{<=}4) vibrational distributions were obtained in the post-discharge region. With basis on the works of Bockel et al. [S. Bockel, A.M. Diamy, A. Ricard, Surf. Coat. Tech. 74 (1995) 474] and Amorim and Kiohara [J. Amorim, V. Kiohara, Chem. Phys. Lett. 385 (2004) 268], we have obtained the experimental N({sup 4}S) and N({sup 2}D) relative densities along the post-discharge. A numerical model, previously developed to describe the neutral atomic, molecular and ionic species in the afterglow, was improved to include the kinetics of N({sup 2}D) and N({sup 2}P) states. Several kinetic mechanisms leading to the production of N({sup 2}D) in the post-discharge have been studied in order to explain the experimental data. We have determined that the dominant one is the reaction N{sub 2}(X{sup 1}{Sigma}{sub g}{sup +},v>8)+N({sup 4}S){yields}N{sub 2}(X{sup 1}{Sigma}{sub g}{sup +})+N({sup 2}D) with an estimated rate constant of 7 Multiplication-Sign 10{sup -14} cm{sup 3} s{sup -1}. Also, the fit of the numerical density profiles of N{sub 2}(C{sup 3}{Pi}{sub u}) and N{sub 2}{sup +}(B{sup 2}{Sigma}{sub u}{sup +}) to the experimental ones has provided the rate constant for reaction

  6. Atom-Precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.

    Science.gov (United States)

    Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan

    2018-01-17

    To realize the molecular design of new functional silver(I) clusters, a new synthetic approach has been proposed, by which the weakly coordinating ligands NO3- in a Ag20 thiolate cluster precursor can be substituted by carboxylic ligands while keeping its inner core intact. By rational design, novel atom-precise carboxylic or amino acid protected 20-core Ag(I)-thiolate clusters have been demonstrated for the first time. The fluorescence and electrochemical activity of the postmodified Ag20 clusters can be modulated by alrestatin or ferrocenecarboxylic acid substitution. More strikingly, when chiral amino acids were used as postmodified ligands, CD-activity was observed for the Ag20 clusters, unveiling an efficient way to obtain atom-precise chiral silver(I) clusters.

  7. Car-Parrinello molecular dynamics study of the melting behaviors of n-atom (n = 6, 10) graphene quantum dots

    Science.gov (United States)

    Shekaari, Ashkan; Abolhassani, Mohammad Reza

    2017-06-01

    First-principles molecular dynamics has been applied to inquire into the melting behaviors of n-atom (n = 6, 10) graphene quantum dots (GQD6 and zigzag GQD10) within the temperature range of T = 0-500 K. The temperature dependence of the geometry of each quantum dot is thoroughly evaluated via calculating the related shape deformation parameters and the eigenvalues of the quadrupole tensors. Examining the variations of some phase-transition indicators such as root-mean-square bond length fluctuations and mean square displacements broadly proposes the value of Tm = 70 K for the melting point of GQD6 while a continuous, two-stage phase transition has been concluded for zigzag GQD10.

  8. Visualization and automatic detection of defect distribution in GaN atomic structure from sampling Moiré phase

    Science.gov (United States)

    Wang, Q. H.; Ri, S.; Tsuda, H.; Kodera, M.; Suguro, K.; Miyashita, N.

    2017-11-01

    Quantitative detection of defects in atomic structures is of great significance to evaluating product quality and exploring quality improvement process. In this study, a Fourier transform filtered sampling Moiré technique was proposed to visualize and detect defects in atomic arrays in a large field of view. Defect distributions, defect numbers and defect densities could be visually and quantitatively determined from a single atomic structure image at low cost. The effectiveness of the proposed technique was verified from numerical simulations. As an application, the dislocation distributions in a GaN/AlGaN atomic structure in two directions were magnified and displayed in Moiré phase maps, and defect locations and densities were detected automatically. The proposed technique is able to provide valuable references to material scientists and engineers by checking the effect of various treatments for defect reduction.

  9. Spatio-temporal structure of Alfvén waves excited by a sudden impulse localized on an L-shell

    Directory of Open Access Journals (Sweden)

    D. Yu. Klimushkin

    2012-07-01

    Full Text Available This paper is concerned with the spatial structure and temporal evolution of the azimuthally small scale Alfvén wave generated by a sudden impulse concentrated on a given magnetic shell. At the outset, both poloidal and toroidal components are present in the wave's magnetic field. The oscillation in the poloidal component on a given magnetic shell is a superposition of two monochromatic oscillations, one with the local resonance frequency on this shell, and the other with the frequency corresponding to the resonance frequency on the source surface. The superposition of these two oscillations leads to beating. Due to phase mixing, the poloidal component of the oscillation decreases with time down to zero, transferring its energy to the toroidal component. Beating in the toroidal component is less pronounced. As time elapses, energy concentration near the source magnetic shell occurs with the frequency of the oscillation corresponding to the Alfvénic resonance frequency on this surface. Outside this thin region wave amplitudes become rather small at oscillation frequencies corresponding to the local resonance frequency of the respective magnetic shell.

  10. Porous yolk-shell microspheres as N-doped carbon matrix for motivating the oxygen reduction activity of oxygen evolution oriented materials

    Science.gov (United States)

    Zhou, Jinqiu; Wang, Mengfan; Qian, Tao; Liu, Sisi; Cao, Xuecheng; Yang, Tingzhou; Yang, Ruizhi; Yan, Chenglin

    2017-09-01

    It is highly challenging to explore high-performance bi-functional oxygen electrode catalysts for their practical application in next-generation energy storage and conversion devices. In this work, we synthesize hierarchical N-doped carbon microspheres with porous yolk-shell structure (NCYS) as a metal-free electrocatalyst toward efficient oxygen reduction through a template-free route. The enhanced oxygen reduction performances in both alkaline and acid media profit well from the porous yolk-shell structure as well as abundant nitrogen functional groups. Furthermore, such yolk-shell microspheres can be used as precursor materials to motivate the oxygen reduction activity of oxygen evolution oriented materials to obtain a desirable bi-functional electrocatalyst. To verify its practical utility, Zn-air battery tests are conducted and exhibit satisfactory performance, indicating that this constructed concept for preparation of bi-functional catalyst will afford a promising strategy for exploring novel metal-air battery electrocatalysts.

  11. Electrostatics of lateral p-n junctions in atomically thin materials

    Science.gov (United States)

    Nipane, Ankur; Jayanti, Sirisha; Borah, Abhinandan; Teherani, James T.

    2017-11-01

    The lack of analytical expressions for the electrostatics of asymmetrically doped 2D lateral junctions complicates the design and analysis of devices based on atomically thin materials. In this work, we provide analytical expressions for the electric field, electrostatic potential, and depletion width across 2D lateral p-n junctions with arbitrary, but spatially uniform doping configurations. We also extend these expressions for use in lateral 3D metal-2D semiconductor junctions and lateral 2D heterojunctions. The results show a significantly larger depletion width (˜2 to 20×) for our 2D method compared to a conventional 3D approach due to the presence of a large out-of-plane electric field. For asymmetrically doped p-n junctions, the 2D depletion width shows a logarithmic dependence on the doping density of the highly doped side, in sharp contrast with conventional electrostatics for 3D junctions. Further, we show that 2D lateral depletion widths can be significantly modulated by changing the surrounding dielectric environment and, hence, can be tuned to realize optimum device structures. Finally, we show that even though the long depletion tails in 2D lateral p-n junctions carry a significant amount of total net charge, they do not significantly affect the electric field and electrostatic potential profiles, supporting the validity of the depletion approximation in analytical modeling of 2D lateral p-n junctions.

  12. Sealing of hard CrN and DLC coatings with atomic layer deposition.

    Science.gov (United States)

    Härkönen, Emma; Kolev, Ivan; Díaz, Belén; Swiatowska, Jolanta; Maurice, Vincent; Seyeux, Antoine; Marcus, Philippe; Fenker, Martin; Toth, Lajos; Radnoczi, György; Vehkamäki, Marko; Ritala, Mikko

    2014-02-12

    Atomic layer deposition (ALD) is a thin film deposition technique that is based on alternating and saturating surface reactions of two or more gaseous precursors. The excellent conformality of ALD thin films can be exploited for sealing defects in coatings made by other techniques. Here the corrosion protection properties of hard CrN and diamond-like carbon (DLC) coatings on low alloy steel were improved by ALD sealing with 50 nm thick layers consisting of Al2O3 and Ta2O5 nanolaminates or mixtures. In cross sectional images the ALD layers were found to follow the surface morphology of the CrN coatings uniformly. Furthermore, ALD growth into the pinholes of the CrN coating was verified. In electrochemical measurements the ALD sealing was found to decrease the current density of the CrN coated steel by over 2 orders of magnitude. The neutral salt spray (NSS) durability was also improved: on the best samples the appearance of corrosion spots was delayed from 2 to 168 h. On DLC coatings the adhesion of the ALD sealing layers was weaker, but still clear improvement in NSS durability was achieved indicating sealing of the pinholes.

  13. Enhanced visible light photocatalytic activity in SnO{sub 2}@g-C{sub 3}N{sub 4} core-shell structures

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Hao; Zhao, Xiaoru, E-mail: xrzhao@nwpu.edu.cn; Duan, Libing; Liu, Ruidi; Li, Hui

    2017-04-15

    Highlights: • Novel SnO{sub 2}@g-C{sub 3}N{sub 4} core-shell structures were successfully synthesized. • The core-shell structures exhibited enhanced visible light photocatalytic activity. • The enhanced photocatalytic activity was due to synergic action of SnO{sub 2} and g-C{sub 3}N{sub 4}. - Abstract: SnO{sub 2}@g-C{sub 3}N{sub 4} core-shell structures were successfully synthesized by simple calcination of SnO{sub 2} microspheres and urea in a muffle furnace. The investigation of morphologies and microstructures showed that g-C{sub 3}N{sub 4} was wrapped tightly on the surface of SnO{sub 2} microspheres with large intimate interface contact areas between the g-C{sub 3}N{sub 4} shells and SnO{sub 2} cores. The X-ray photoelectron spectroscopy results and photoluminescence spectra demonstrated that the intimate interface contacts could facilitate the transfer and separation of the photogenerated charge carriers at their interface, thus the recombination of the photogenerated electron-hole pairs was impeded. The photocatalytic activity of the synthesized composites was evaluated by the photodegradation of methyl orange under visible light irradiation. It was found that SnO{sub 2}@g-C{sub 3}N{sub 4} exhibited higher photodegradation rate (k = 0.013 min{sup −1}) than that of g-C{sub 3}N{sub 4} (k = 0.008 min{sup −1}) and pure SnO{sub 2}. The enhanced photocatalytic activity could be attributed to the synergic action of SnO{sub 2} and g-C{sub 3}N{sub 4}.

  14. Dispersion in a four level N-scheme atomic system with co- and counter- propagating beams

    Science.gov (United States)

    Davis, J. P.; Narducci, F. A.

    2012-03-01

    We motivate the study of an 'N-scheme' atomic system for the case of a bi-directional probe field. We derive the equations of motion. The equations were expanded in order of the counter-propagating field strength over the co-propagating field strength. We solve the equations numerically in steady state in a perturbative manner. The zeroth order solutions describe the dispersion and absorption of the co-propagating field, while the first order solutions describe the dispersion and absorption of the counter-propagating field. We investigate the solutions in two temperature regimes for a variety of field strengths. Regimes of similar dispersion for the co- and counter-propagating fields were found, as well as regimes of opposite behavior. In most cases, absorption of the fields is still a problem.

  15. Study of shell closures N=40 and N=50 in neutron-rich nuclei; Etude des fermetures de couches N=40 et N=50 dans les noyaux riches en neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Perru, O

    2004-12-01

    For this thesis I have studied 2 neutron shell closures: N=40 and N=50. On N=50, an experiment was done in February 2001 on the ISOL line PARRNe, the issue was to measure the first excited states of {sup 83}Ge (Z=32, N=51) by studying the beta decay of {sup 83}Ga produced by fission of {sup 238}U.The extreme precision of the experimental device, with the operation of hot plasma ion sources made it possible to reach spectroscopic information of the Ge isotopes beyond the magic gap N=50. Two transitions have been attributed to {sup 83}Ge: at 867 keV and at 1238 keV. The level scheme of {sup 83}Ge could be interpreted in terms of weak coupling: the excited states of this nucleus are due to the couplings between the single neutron beyond N=50 and the remaining nucleons.On N=40, we wanted to determine the transition probability between ground state and first excited state, called B(E2), in {sup 70}Ni (N=42) and {sup 74}Zn (N=44) from Coulomb excitation. These exotic nuclei are produced by fragmentation of a primary beam of {sup 76}Ge on a target of {sup 58}Ni, selected by the spectrometer LISE, then interact with a secondary {sup 208}Pb target to induce the Coulomb excitation. At the end of this analysis, the following values have been obtained: B(E2,{sup 70}Ni)=860(170) e{sup 2}fm{sup 4}, B(E2,{sup 74}Zn)=1960(140) e{sup 2}fm{sup 4}. These values have been compared on the one hand to variational calculations which I have realised, on the other hand to published shell model calculations.These calculations point out the complex aspect of the Ni nuclei, which do not seem to have a typical behaviour of semi magic nuclei although they are located on a closed shell in protons (Z=28). (author)

  16. Monodisperse Pt atoms anchored on N-doped graphene as efficient catalysts for CO oxidation: A first-principles investigation

    KAUST Repository

    Liu, Xin

    2015-01-01

    We performed first-principles based calculations to investigate the electronic structure and the potential catalytic performance of Pt atoms monodispersed on N-doped graphene in CO oxidation. We showed that N-doping can introduce localized defect states in the vicinity of the Fermi level of graphene which will effectively stabilize the deposited Pt atoms. The binding energy of a single Pt atom onto a stable cluster of 3 pyridinic N (PtN3) is up to -4.47 eV, making the diffusion and aggregation of anchored Pt atoms difficult. Both the reaction thermodynamics and kinetics suggest that CO oxidation over PtN3 would proceed through the Langmuir-Hinshelwood mechanism. The reaction barriers for the formation and dissociation of the peroxide-like intermediate are determined to be as low as 0.01 and 0.08 eV, respectively, while that for the regeneration is only 0.15 eV, proving the potential high catalytic performance of PtN3 in CO oxidation, especially at low temperatures. The Pt-d states that are up-shifted by the Pt-N interaction account for the enhanced activation of O2 and the efficient formation and dissociation of the peroxide-like intermediate.

  17. HST/ACS observations of shell galaxies: inner shells, shell colours and dust

    Science.gov (United States)

    Sikkema, G.; Carter, D.; Peletier, R. F.; Balcells, M.; Del Burgo, C.; Valentijn, E. A.

    2007-06-01

    Context: Shells in Elliptical Galaxies are faint, sharp-edged features, believed to provide evidence for a merger event. Accurate photometry at high spatial resolution is needed to learn on presence of inner shells, population properties of shells, and dust in shell galaxies. Aims: Learn more about the origin of shells and dust in early type galaxies. Methods: V-I colours of shells and underlying galaxies are derived, using HST Advanced Camera for Surveys (ACS) data. A galaxy model is made locally in wedges and subtracted to determine shell profiles and colours. We applied Voronoi binning to our data to get smoothed colour maps of the galaxies. Comparison with N-body simulations from the literature gives more insight to the origin of the shell features. Shell positions and dust characteristics are inferred from model galaxy subtracted images. Results: The ACS images reveal shells well within the effective radius in some galaxies (at 0.24 re = 1.7 kpc in the case of NGC 5982). In some cases, strong nuclear dust patches prevent detection of inner shells. Most shells have colours which are similar to the underlying galaxy. Some inner shells are redder than the galaxy. All six shell galaxies show out of dynamical equilibrium dust features, like lanes or patches, in their central regions. Our detection rate for dust in the shell ellipticals is greater than that found from HST archive data for a sample of normal early-type galaxies, at the 95% confidence level. Conclusions: The merger model describes better the shell distributions and morphologies than the interaction model. Red shell colours are most likely due to the presence of dust and/or older stellar populations. The high prevalence and out of dynamical equilibrium morphologies of the central dust features point towards external influences being responsible for visible dust features in early type shell galaxies. Inner shells are able to manifest themselves in relatively old shell systems. Based on observations made

  18. Study of the stability of the gallium isotopes beyond the N = 50 neutron shell closure

    CERN Multimedia

    We propose to study the stability of the nuclear structure beyond N = 50 and Z = 28 with beams of neutron-rich gallium isotopes at the CRIS experiment at ISOLDE. The study of their hyperne structure and isotope shift will provide spins, magnetic dipole moments, electric quadrupole moments and changes in the mean-square charge radii. The $\\beta$-decay of $^{80}$Ga will be unambiguously measured using the technique of Laser Assisted Nuclear Decay Spectroscopy (LANDS). The half-lives of the very neutron-rich isotopes with N > 54 will be measured for their impact on the astrophysical ${r}$-process.

  19. Toward highly radiative white light emitting nanostructures: a new approach to dislocation-eliminated GaN/InGaN core-shell nanostructures with a negligible polarization field.

    Science.gov (United States)

    Kim, Je-Hyung; Ko, Young-Ho; Cho, Jong-Hoi; Gong, Su-Hyun; Ko, Suk-Min; Cho, Yong-Hoon

    2014-11-06

    White light emitting InGaN nanostructures hold a key position in future solid-state lighting applications. Although many suggested approaches to form group III-nitride vertical structures have been reported, more practical and cost effective methods are still needed. Here, we present a new approach to GaN/InGaN core-shell nanostructures at a wafer level formed by chemical vapor-phase etching and metal-organic chemical vapor deposition. Without a patterning process, we successfully obtained high quality and polarization field minimized In-rich GaN/InGaN core-shell nanostructures. The various quantum well thicknesses and the multi-facets of the obelisk-shaped core-shell nanostructures provide a broad spectrum of the entire visible range without changing the InGaN growth temperature. Due to their high crystal quality and polarization field reduction, the core-shell InGaN quantum wells show an ultrafast radiative recombination time of less than 200 ps and uniformly high internal quantum efficiency in the broad spectral range. We also investigated the important role of polarization fields in the complex recombination dynamics in InGaN quantum wells.

  20. Shell supports

    DEFF Research Database (Denmark)

    Almegaard, Henrik

    2004-01-01

    A new statical and conceptual model for membrane shell structures - the stringer system - has been found. The principle was first published at the IASS conference in Copenhagen (OHL91), and later the theory has been further developed (ALMO3)(ALMO4). From the analysis of the stringer model it can...... be concluded that all membrane shells can be described by a limited number of basic configurations of which quite a few have free edges....

  1. Probing nuclear shell structure beyond the N=40 subshell using multiple Coulomb excitation and transfer experiments

    Energy Technology Data Exchange (ETDEWEB)

    Hellgartner, Stefanie Christine

    2015-11-13

    In this work, the N=40 subshell closure is investigated with two complementary methods using a radioactive {sup 72}Zn ISOLDE beam: One- and two-neutron transfer reactions and multiple Coulomb excitation. In the one-neutron transfer reaction, two new levels of {sup 73}Zn were discovered. The two-neutron transfer channel allowed to study the differential cross section of the ground state and the 2{sup +}{sub 1} state of {sup 74}Zn. In the Coulomb excitation experiment, the measured B(E2) values and quadrupole moments of {sup 72}Zn showed that the yrast states 0{sup +}{sub 1}, 2{sup +}{sub 1} and 4{sup +}{sub 1} are moderately collective. Contrary, the 0{sup +}{sub 2} state has a different structure, since it features a stronger closed N=40 configuration compared to the ground state.

  2. Core-shell InGaN/GaN nanowire light emitting diodes analyzed by electron beam induced current microscopy and cathodoluminescence mapping

    Science.gov (United States)

    Tchernycheva, M.; Neplokh, V.; Zhang, H.; Lavenus, P.; Rigutti, L.; Bayle, F.; Julien, F. H.; Babichev, A.; Jacopin, G.; Largeau, L.; Ciechonski, R.; Vescovi, G.; Kryliouk, O.

    2015-07-01

    We report on the electron beam induced current (EBIC) microscopy and cathodoluminescence (CL) characterization correlated with compositional analysis of light emitting diodes based on core/shell InGaN/GaN nanowire arrays. The EBIC mapping of cleaved fully operational devices allows to probe the electrical properties of the active region with a nanoscale resolution. In particular, the electrical activity of the p-n junction on the m-planes and on the semi-polar planes of individual nanowires is assessed in top view and cross-sectional geometries. The EBIC maps combined with CL characterization demonstrate the impact of the compositional gradients along the wire axis on the electrical and optical signals: the reduction of the EBIC signal toward the nanowire top is accompanied by an increase of the CL intensity. This effect is interpreted as a consequence of the In and Al gradients in the quantum well and in the electron blocking layer, which influence the carrier extraction efficiency. The interface between the nanowire core and the radially grown layer is shown to produce in some cases a transitory EBIC signal. This observation is explained by the presence of charged traps at this interface, which can be saturated by electron irradiation.We report on the electron beam induced current (EBIC) microscopy and cathodoluminescence (CL) characterization correlated with compositional analysis of light emitting diodes based on core/shell InGaN/GaN nanowire arrays. The EBIC mapping of cleaved fully operational devices allows to probe the electrical properties of the active region with a nanoscale resolution. In particular, the electrical activity of the p-n junction on the m-planes and on the semi-polar planes of individual nanowires is assessed in top view and cross-sectional geometries. The EBIC maps combined with CL characterization demonstrate the impact of the compositional gradients along the wire axis on the electrical and optical signals: the reduction of the EBIC

  3. Modificación de un motor de baja cilindrada para mejorar la eficiencia con el empleo de etanol utilizado en la Shell Eco-Marathon

    OpenAIRE

    BOCANEGRA SÁNCHEZ, DAVID

    2016-01-01

    [ES] En este proyecto se realizara un estudio y modificación de un motor de baja cilindrada para mejorar la eficiencia con el empleo de etanol para la competición Shell Eco-Marathon, en el cual pretendemos consumir la menor cantidad de combustible ya que en esta competición se mide el grado de eficiencia energética alcanzado. El proyecto se concreta en reducir el consumo de combustible de un motor térmico de cuatro tiempos. Bocanegra Sánchez, D. (2016). Modificación de un motor de baja ...

  4. Study of Charge Transport in Vertically Aligned Nitride Nanowire Based Core Shell P-I-N Junctions

    Science.gov (United States)

    2016-07-01

    realize these structures. Vertically-aligned, radial core-shell architecture allows for significant defect reduction, strain engineering, polarity...fabrication with various process optimization for enhanced detector performance 6) Studying the photodetector performance and reliability ( parametric

  5. The influence of (n-n{sup '})-mixing processes in He*(n)+He(1s{sup 2}) collisions on He*(n) atoms' populations in weakly ionized helium plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Mihajlov, A.A. [Institute of Physics, P.O. Box 57, 11001 Belgrade (Serbia and Montenegro); Ignjatovic, Lj.M. [Institute of Physics, P.O. Box 57, 11001 Belgrade (Serbia)], E-mail: ljuba@phy.bg.ac.yu; Sreckovic, V.A. [Institute of Physics, P.O. Box 57, 11001 Belgrade (Serbia); Djuric, Z. [Silvaco Data Systems, Compass Point, St Ives PE27 5JL (United Kingdom)

    2008-03-15

    The results of semi-classical calculations of rate coefficients of (n-n{sup '})-mixing processes due to collisions of Rydberg atoms He*(n) with He(1s{sup 2}) atoms are presented. It is assumed that these processes are caused by the resonant energy exchange within the electron component of He*(n)+He collision system. The method is realized through the numerical simulation of the (n-n{sup '})-mixing processes, and is applied for calculations of the corresponding rate coefficients. The calculations are performed for the principal quantum numbers n,n{sup '} in ranges 4{<=}n{sup '}{<=}10, and the atom and electron temperatures, T{sub a},T{sub e}, in domains 5000K{<=}T{sub a}{<=}T{sub e}{<=}20000K. It is shown that the (n-n{sup '})-mixing processes can significantly influence the populations of Rydberg atoms in non-equilibrium weakly ionized helium plasmas with ionization degree {approx}10{sup -4}. Therefore, these processes have to be included in the appropriate models of such plasmas.

  6. l- and n-changing collisions during interaction of a pulsed beam of Li Rydberg atoms with CO2

    Science.gov (United States)

    Dubreuil, B.; Harnafi, M.

    1989-07-01

    The pulsed Li atomic beam produced in our experiment is based on controlled transversely-excited-atmospheric CO2 laser-induced ablation of a Li metal target. The atomic beam is propagated in vacuum or in CO2 gas at low pressure. Atoms in the beam are probed by laser-induced fluorescence spectroscopy. This allows the determination of time-of-flight and velocity distributions. Li Rydberg states (n=5-13) are populated in the beam by two-step pulsed-laser excitation. The excited atoms interact with CO2 molecules. l- and n-changing cross sections are deduced from the time evolution of the resonant or collision-induced fluorescence following this selective excitation. l-changing cross sections of the order of 104 AṦ are measured; they increase with n as opposed to the plateau observed for Li* colliding with a diatomic molecule. This behavior is qualitatively well explained in the framework of the free-electron model. n-->n' changing processes with large cross sections (10-100 AṦ) are also observed even in the case of large electronic energy change (ΔEnn'>103 cm-1). These results can be interpreted in terms of resonant-electronic to vibrational energy transfers between Li Rydberg states and CO2 vibrational modes.

  7. Modeling and Simulation on NOx and N2O Formation in Co-combustion of Low-rank Coal and Palm Kernel Shell

    Directory of Open Access Journals (Sweden)

    Mahidin Mahidin

    2012-12-01

    Full Text Available NOx and N2O emissions from coal combustion are claimed as the major contributors for the acid rain, photochemical smog, green house and ozone depletion problems. Based on the facts, study on those emissions formation is interest topic in the combustion area. In this paper, theoretical study by modeling and simulation on NOx and N2O formation in co-combustion of low-rank coal and palm kernel shell has been done. Combustion model was developed by using the principle of chemical-reaction equilibrium. Simulation on the model in order to evaluate the composition of the flue gas was performed by minimization the Gibbs free energy. The results showed that by introduced of biomass in coal combustion can reduce the NOx concentration in considerably level. Maximum NO level in co-combustion of low-rank coal and palm kernel shell with fuel composition 1:1 is 2,350 ppm, low enough compared to single low-rank coal combustion up to 3,150 ppm. Moreover, N2O is less than 0.25 ppm in all cases. Keywords: low-rank coal, N2O emission, NOx emission, palm kernel shell

  8. High Atom Number in Microsized Atom Traps

    Science.gov (United States)

    2015-12-14

    Final Performance Report on ONR Grant N00014-12-1-0608 High atom number in microsized atom traps for the period 15 May 2012 through 14 September...TYPE Final Technical Report 3. DATES COVERED (From - To) 05/15/2012-09/14/2012 4. TITLE AND SUBTITLE High atom number in microsized atom traps...forces for implementing a small-footprint, large-number atom -chip instrument. Bichromatic forces rely on absorption and stimulated emission to produce

  9. Vibrationally resolved photoionization of the 1{sigma}{sub g} and 1{sigma}{sub u} shells of N{sub 2} molecule

    Energy Technology Data Exchange (ETDEWEB)

    Semenov, S K [State University of Aerospace Instrumentation, 190000 St Petersburg (Russian Federation); Cherepkov, N A [State University of Aerospace Instrumentation, 190000 St Petersburg (Russian Federation); Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan); Matsumoto, M [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan); Fujiwara, K [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan); Ueda, K [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan); Kukk, E [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan); Department of Physics, University of Turku, FIN-20014, Turku (Finland); Tahara, F [Department of Physical Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Sunami, T [Department of Physical Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Yoshida, H [Department of Physical Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Tanaka, T [Department of Physics, Sophia University, Tokyo 102-8554 (Japan); Nakagawa, K [Department of Physics, Sophia University, Tokyo 102-8554 (Japan); Kitajima, M [Department of Physics, Sophia University, Tokyo 102-8554 (Japan); Tanaka, H [Department of Physics, Sophia University, Tokyo 102-8554 (Japan); De Fanis, A [Japan Synchrotron Radiation Research Institute, Sayo-gun, Hyogo 679-5198 (Japan)

    2006-01-28

    Theoretical and experimental study of vibrationally resolved partial photoionization cross sections and angular asymmetry parameter {beta} for the 1{sigma}{sub g} and 1{sigma}{sub u} shells of N{sub 2} molecule in the region of the {sigma}* shape resonance is reported. The measurements were made at the synchrotron radiation facility SPring-8 in Japan. The calculations in the random phase approximation have been performed using the relaxed core Hartree-Fock wavefunctions with the fractional charge of the ion core equal to 0.7. With its help, the role of interchannel coupling between the closely spaced 1{sigma}{sub g} and 1{sigma}{sub u} shells was studied. The experiment demonstrates the existence of a correlational maximum in the 1{sigma}{sub u} shell photoionization cross section induced by the {sigma}* shape resonance in the 1{sigma}{sub g} shell. This maximum reveals itself even more clearly in the angular asymmetry parameter {beta} for the v' = 0 and v' = 1 vibrational states of the ion. The calculation in the random phase approximation gives a consistent interpretation of the experimental data.

  10. Synthesis and applications of shell cross-linked thermoresponsive hybrid micelles based on poly(N-isopropylacrylamide-co-3-(trimethoxysilyl)propyl methacrylate)-b-poly(methyl methacrylate).

    Science.gov (United States)

    Wei, Hua; Cheng, Cheng; Chang, Cong; Chen, Wen-Qin; Cheng, Si-Xue; Zhang, Xian-Zheng; Zhuo, Ren-Xi

    2008-05-06

    Shell cross-linked (SCL) thermoresponsive hybrid micelles consisting of a cross-linked thermoresponsive hybrid hydrophilic shell and a hydrophobic core domain were synthesized from poly(N-isopropylacrylamide-co-3- (trimethoxysilyl)propyl methacrylate)-b-polymethyl methacrylate (P(NIPAAm-co-MPMA)-b-PMMA) amphiphilic block copolymers. Transmission electron microscopy (TEM) images showed that the SCL micelles formed regularly globular nanoparticles. The SCL micelles showed reversible dispersion/aggregation in response to temperature cycles through an outer polymer shell lower critical solution temperature (LCST) for PNIPAAm at around 33 degrees C, observed by turbidity measurements and dynamic light scattering (DLS). The drug loading and in vitro drug release properties of the SCL micelles bearing a silica-reinforced PNIPAAm shell were further studied, which showed that the SCL micelles exhibited a much improved entrapment efficiency (EE) as well as a slower release rate which allowed the entrapped molecules to be slowly released over a much longer period of time as compared with pure PNIPAAm-b-PMMA micelles.

  11. The atomic structure of polar and non-polar InGaN quantum wells and the green gap problem

    Energy Technology Data Exchange (ETDEWEB)

    Humphreys, C.J., E-mail: colin.humphreys@msm.cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Griffiths, J.T., E-mail: jg641@cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Tang, F., E-mail: ft274@cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Oehler, F., E-mail: fabrice.oehler@lpn.cnrs.fr [CNRS/C2N, Paris Sud University, Route de Nozay, 91460 Marcoussis (France); Findlay, S.D., E-mail: scott.findlay@monash.edu [School of Physics and Astronomy, Monash University, Victoria 3800 (Australia); Zheng, C., E-mail: changlin.zheng@monash.edu [Monash Centre for Electron Microscopy, Monash University, Victoria 3800 (Australia); Etheridge, J., E-mail: joanne.etheridge@mcem.monash.edu [Department of Materials Science and Engineering, Monash University, Victoria 3800 (Australia); Martin, T.L., E-mail: tomas.martin@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Bagot, P.A.J., E-mail: paul.bagot@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Moody, M.P., E-mail: michael.moody@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Sutherland, D., E-mail: danny.sutherland@manchester.ac.uk [School of Physics and Astronomy, Photon Science Institute, University of Manchester, Manchester M13 9PL (United Kingdom); Dawson, P., E-mail: philip.dawson@manchester.ac.uk [School of Physics and Astronomy, Photon Science Institute, University of Manchester, Manchester M13 9PL (United Kingdom); Schulz, S., E-mail: stefan.schulz@tyndall.ie [Tyndall National Institute, Lee Maltings Complex, Dyke Parade, Cork (Ireland); and others

    2017-05-15

    Highlights: • We have studied the atomic structure of polar and non-polar InGaN quantum wells. • The non-polar (11-20) InGaN quantum wells contain indium-rich clusters, unlike the polar (0001) quantum wells. • The electrons and holes in the quantum wells are localised by different mechanisms. - Abstract: We have used high resolution transmission electron microscopy (HRTEM), aberration-corrected quantitative scanning transmission electron microscopy (Q-STEM), atom probe tomography (APT) and X-ray diffraction (XRD) to study the atomic structure of (0001) polar and (11-20) non-polar InGaN quantum wells (QWs). This paper provides an overview of the results. Polar (0001) InGaN in QWs is a random alloy, with In replacing Ga randomly. The InGaN QWs have atomic height interface steps, resulting in QW width fluctuations. The electrons are localised at the top QW interface by the built-in electric field and the well-width fluctuations, with a localisation energy of typically 20 meV. The holes are localised near the bottom QW interface, by indium fluctuations in the random alloy, with a localisation energy of typically 60 meV. On the other hand, the non-polar (11-20) InGaN QWs contain nanometre-scale indium-rich clusters which we suggest localise the carriers and produce longer wavelength (lower energy) emission than from random alloy non-polar InGaN QWs of the same average composition. The reason for the indium-rich clusters in non-polar (11-20) InGaN QWs is not yet clear, but may be connected to the lower QW growth temperature for the (11-20) InGaN QWs compared to the (0001) polar InGaN QWs.

  12. A pressure tuned stop-flow atomic layer deposition process for MoS2 on high porous nanostructure and fabrication of TiO2/MoS2 core/shell inverse opal structure

    Science.gov (United States)

    Li, Xianglin; Puttaswamy, Manjunath; Wang, Zhiwei; Kei Tan, Chiew; Grimsdale, Andrew C.; Kherani, Nazir P.; Tok, Alfred Iing Yoong

    2017-11-01

    MoS2 thin films are obtained by atomic layer deposition (ALD) in the temperature range of 120-150 °C using Mo(CO)6 and dimethyl disulfide (DMDS) as precursors. A pressure tuned stop-flow ALD process facilitates the precursor adsorption and enables the deposition of MoS2 on high porous three dimensional (3D) nanostructures. As a demonstration, a TiO2/MoS2 core/shell inverse opal (TiO2/MoS2-IO) structure has been fabricated through ALD of TiO2 and MoS2 on a self-assembled multilayer polystyrene (PS) structure template. Due to the self-limiting surface reaction mechanism of ALD and the utilization of pressure tuned stop-flow ALD processes, the as fabricated TiO2/MoS2-IO structure has a high uniformity, reflected by FESEM and FIB-SEM characterization. A crystallized TiO2/MoS2-IO structure can be obtained through a post annealing process. As a 3D photonic crystal, the TiO2/MoS2-IO exhibits obvious stopband reflecting peaks, which can be adjusted through changing the opal diameters as well as the thickness of MoS2 layer.

  13. High-dimensional Controlled-phase Gate Between a 2 N -dimensional Photon and N Three-level Artificial Atoms

    Science.gov (United States)

    Ma, Yun-Ming; Wang, Tie-Jun

    2017-10-01

    Higher-dimensional quantum system is of great interest owing to the outstanding features exhibited in the implementation of novel fundamental tests of nature and application in various quantum information tasks. High-dimensional quantum logic gate is a key element in scalable quantum computation and quantum communication. In this paper, we propose a scheme to implement a controlled-phase gate between a 2 N -dimensional photon and N three-level artificial atoms. This high-dimensional controlled-phase gate can serve as crucial components of the high-capacity, long-distance quantum communication. We use the high-dimensional Bell state analysis as an example to show the application of this device. Estimates on the system requirements indicate that our protocol is realizable with existing or near-further technologies. This scheme is ideally suited to solid-state integrated optical approaches to quantum information processing, and it can be applied to various system, such as superconducting qubits coupled to a resonator or nitrogen-vacancy centers coupled to a photonic-band-gap structures.

  14. Measurement of the radiative vacancy transfer probabilities from the $L_{3}$ to M and to N shells for W, Re and Pb using synchrotron radiation

    CERN Document Server

    Bonzi, E V

    2006-01-01

    The radiative vacancy transfer probabilities from L/sub 3/ to M shell, eta/sub L3/M(R) and L/sub 3/ to N shell, eta/sub L3/N(R), have been determined for W, Re and Pb. The pure elements samples were excited by monochromatic synchrotron radiation. The X-rays were generated by excitation of L/sub 3/ edge and measured using a high resolution Si(Li) detector. The experimentally determined radiative vacancy transfer probabilities were compared with the theoretical values deduced using radiative X-ray emission rates based on the relativistic Dirac-Hartree-Slater (RDHS) model. In the case of Pb, the experimental data were compared as well with experimental values of Simsek. In both cases, a good agreement was found between the datasets.

  15. Synthesis, Characterization, and Drug Delivery from pH- and Thermoresponsive Poly(N-Isopropylacrylamide/Chitosan Core/Shell Nanocomposites Made by Semicontinuous Heterophase Polymerization

    Directory of Open Access Journals (Sweden)

    Abraham G. Alvarado

    2017-01-01

    Full Text Available Temperature- and pH-responsive core/shell nanoparticles were prepared by semicontinuous heterophase polymerization of N-isopropylacrylamide (NIPA in the presence of chitosan micelles for drug delivery purposes. Micelles of chitosan, formed in an acetic acid aqueous solution at 70°C containing potassium persulfate, were fed with N-isopropylacrylamide (NIPA at a controlled rate, to produce PNIPA/chitosan core/shell nanoparticles of about 350 nm. Then, the crosslinking agent, glutaraldehyde, was added to crosslink the nanoparticles. These nanocomposites were temperature- and pH-responsive, which make them suitable as controlled drug releasing agents. The nanoparticles exhibit thermoreversibility to heating-and-cooling cycles and show different responses depending on the releasing medium’s pH. Drug delivery tests were performed, employing as a model drug, doxycycline hyclate.

  16. Penning-trap mass spectrometry of neutron-rich copper isotopes for probing the Z = 28 and N = 50 shell closures

    CERN Multimedia

    Manea, V

    We propose to perform a Penning-trap mass measurement of $^{79}$Cu. This exotic N = 50 isotone is the last frontier before the doubly-magic $^{78}$Ni and will greatly improve our knowledge of shell evolution. In the same run, we propose $^{77-78}$Cu mass measurements, as well as the search for a possible isomer in $^{76m}$Cu. The data will help to clarify the structure of the odd proton in the Cu isotopes, the influence on the Z = 28 proton core of the νg$_{9/2}$ orbital filling and the impact of the proton-neutron residual interaction on the strength of the N = 50 shell closure.

  17. Shell-model calculations for the semi-magic nucleus 85Br and systematic features of the N = 50 odd-A isotones

    Science.gov (United States)

    Guo, Rui-Ju; Li, Zhi-Quan; Liu, Chen; Tian, Yong-He; Wang, Shou-Yu

    2017-08-01

    Level structures of 85Br have been investigated using the shell-model code nushellx within a large model space containing the neutron-core excitations across the N = 50 closed shell. The calculated results have been compared with the available experimental data. Reasonable agreement between the experimental and calculated values is obtained, which indicates that the neutron-core excitations are essential to reproduce the level structures of 85Br. The systematic features of neutron-core excitations in the N = 50 isotones are investigated. Supported by Natural Science Foundation of China (11622540, 11461141001, U1432119) and Computations were Carried Out on an HP Proliant DL785G6 Server Hosted by the Institute of Space Science of Shandong University

  18. Water-assisted atom transfer radical polymerization of N-isopropylacrylamide: nature of solvent and temperature.

    Science.gov (United States)

    Ye, Jianding; Narain, Ravin

    2009-01-22

    We demonstrate here via the atom transfer radical polymerization (ATRP) of N-isopropylacrylamide (NIPAM) at low temperature that the negative function of water in aqueous ATRP is significantly suppressed. By the addition of a small amount of water in a water-miscible organic solvent and maintaining low polymerization temperature, the ATRP of NIPAM is relatively fast and well controlled. We observed that the rate of the polymerization in pure organic solvent at a monomer concentration of 20 wt % is slow, and relatively low conversions were obtained. The low conversion of PNIPAM in pure alcoholic media (such as methanol, ethanol, and n-propanol) is attributed to the poor solubility of the resulting low molecular weight polymer in such solvents. The consequence is that the PNIPAM chains are aggregated, resulting in the inaccessibility of the embedded halide atom of the polymer chain ends by the copper catalyst. As expected, the ATRP of NIPAM in pure water was found to be fast and uncontrolled. These results have therefore prompted us to study the ATRP of NIPAM in aqueous-organic mixtures. Room temperature polymerization of NIPAM in mixed aqueous-organic solvent mixtures (organic:water = 4:1 or 3:1) revealed to be fast and uncontrolled. However, when the NIPAM polymerization was conducted at low temperature (0 degrees C) in such solvent systems, the polymerization turned out to be well-controlled as the molar masses progress linearly with conversion, and pseudo-first-order kinetic plots were obtained. Furthermore, monomodal GPC traces and narrow molecular weight distributions were obtained in all aqueous-organic solvent systems. Chain extension for aqueous ATRP of NIPAM revealed to proceed well at low temperature as compared to room temperature. Furthermore, we observe that the rates of the polymerization of NIPAM in different aqueous-organic mixtures follow the trend of polarity in the case of the polar aprotic solvents. However, in the case of polar protic solvent

  19. Interface characterization of atomic layer deposited high-k on non-polar GaN

    Science.gov (United States)

    Jia, Ye; Zeng, Ke; Singisetti, Uttam

    2017-10-01

    The interface properties between dielectrics and semiconductors are crucial for electronic devices. In this work, we report the electrical characterization of the interface properties between atomic layer deposited Al2O3 and HfO2 on non-polar a-plane ( 11 2 ¯ 0 ) and m-plane ( 1 1 ¯ 00 ) GaN grown by hybrid vapor phase epitaxy. A metal oxide semiconductor capacitor (MOSCAP) structure was used to evaluate the interface properties. The impact of annealing on the interface properties was also investigated. The border trap in the oxide, characterized by the capacitance-voltage (C-V) hysteresis loop, was low. The interface state density (Dit), extracted using the ac conductance method, is in the range of 0.5 × 1012/cm2 eV to 7.5 × 1011/cm2 eV within an energy range from 0.2 eV to 0.5 eV below the conduction band minimum. The m-plane GaN MOSCAPs exhibited better interface properties than the a-plane GaN MOSCAPs after annealing. Without annealing, Al2O3 dielectrics had higher border trap density and interface state density compared to HfO2 dielectrics. However, the annealing had different impacts on Al2O3 dielectrics as compared to HfO2. Our results showed that the annealing degraded the quality of the interface in HfO2, but it improved the quality of the interface in Al2O3 devices. The annealing also reduced the positive trapped oxide charge, resulting in a shift of C-V curves towards the positive bias region.

  20. Closed-shell and open-shell square-planar iridium nitrido complexes

    Science.gov (United States)

    Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven

    2012-07-01

    Coupling reactions of nitrogen atoms represent elementary steps to many important heterogeneously catalysed reactions, such as the Haber-Bosch process or the selective catalytic reduction of NOx to give N2. For molecular nitrido (and related oxo) complexes, it is well established that the intrinsic reactivity, for example nucleophilicity or electrophilicity of the nitrido (or oxo) ligand, can be attributed to M-N (M-O) ground-state bonding. In recent years, nitrogen (oxygen)-centred radical reactivity was ascribed to the possible redox non-innocence of nitrido (oxo) ligands. However, unequivocal spectroscopic characterization of such transient nitridyl {M=N•} (or oxyl {M-O•}) complexes remained elusive. Here we describe the synthesis and characterization of the novel, closed-shell and open-shell square-planar iridium nitrido complexes [IrN(Lt-Bu)]+ and [IrN(Lt-Bu)] (Lt-Bu=N(CHCHP-t-Bu2)2). Spectroscopic characterization and quantum chemical calculations for [IrN(Lt-Bu)] indicate a considerable nitridyl, {Ir=N•}, radical character. The clean formation of IrI-N2 complexes via binuclear coupling is rationalized in terms of nitrido redox non-innocence in [IrN(Lt-Bu)].

  1. Inner-shell physics after fifty years of quantum mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Merzbacher, E.

    1976-01-01

    A historical view is given of how the development of quantum mechanics has been affected by the information relating to inner shells, gathered by physicists since the early days of atomic physics, and of the impact of quantum mechanics on the physics of inner atomic shells. 25 refs. (GHT)

  2. Surface structure and surface kinetics of InN grown by plasma-assisted atomic layer epitaxy: A HREELS study

    Energy Technology Data Exchange (ETDEWEB)

    Acharya, Ananta R., E-mail: aacharya@georgiasouthern.edu, E-mail: anantaach@gmail.com [Department of Physics, Georgia Southern University, Statesboro, Georgia 30460 (United States); Thoms, Brian D. [Department of Physics and Astronomy, Georgia State University, Atlanta, Georgia 30303 (United States); Nepal, Neeraj [American Association for Engineering Education, 1818 N Street NW, Washington, DC 20034 (United States); Eddy, Charles R. [Electronics Science and Technology Division, U.S. Naval Research Laboratory, 4555 Overlook Avenue SW, Washington, DC 20375 (United States)

    2015-03-15

    The surface bonding configuration and kinetics of hydrogen desorption from InN grown by plasma-assisted atomic layer epitaxy have been investigated. High resolution electron energy loss spectra exhibited loss peaks assigned to a Fuchs–Kliewer surface phonon, N-N and N-H surface species. The surface N-N vibrations are attributed to surface defects. The observation of N-H but no In-H surface species suggested N-terminated InN. Isothermal desorption data were best fit by the first-order desorption kinetics with an activation energy of (0.88 ± 0.06) eV and pre-exponential factor of (1.5 ± 0.5) × 10{sup 5 }s{sup −1}.

  3. Realization of quantum anomalous Hall effect in graphene from n -p codoping-induced stable atomic adsorption

    Science.gov (United States)

    Deng, Xinzhou; Qi, Shifei; Han, Yulei; Zhang, Kunhua; Xu, Xiaohong; Qiao, Zhenhua

    2017-03-01

    Using first-principles calculation methods, we study the possibility of realizing a quantum anomalous Hall effect in graphene from stable 3 d atomic adsorption via a charge-compensated n -p codoping scheme. As concrete examples, we show that long-range ferromagnetism can be established by codoping 3 d transition metal and boron atoms, but only the Ni codopants can open up a global bulk gap to harbor the quantum anomalous Hall effect. Our estimated ferromagnetic Curie transition temperature can reach over 10 K for various codoping concentrations.

  4. Realization of Quantum Anomalous Hall Effect in Graphene from n-p Codoping Induced Stable Atomic-Adsorption

    Science.gov (United States)

    Deng, Xinzhou; Qi, Shifei; Han, Yulei; Zhang, Kunhua; Xu, Xiaohong; Qiao, Zhenhua

    Using first-principles calculation methods, we study the possibility of realizing quantum anomalous Hall effect in graphene from stable 3d-atomic adsorption via charge-compensated n-p codoping scheme. As concrete examples, we show that long-range ferromagnetism can be established by codoping 3d transition metal and boron atoms, but only the Ni codopants can open up a global bulk gap to harbour the quantum anomalous Hall effect. Our estimated ferromagnetic Curie transition temperature can reach over 10 Kelvin for various codoping concentrations.

  5. Realization of Quantum Anomalous Hall Effect in Graphene from \\textit{n}-\\textit{p} Codoping Induced Stable Atomic-Adsorption

    OpenAIRE

    Deng, Xinzhou; Qi, Shifei; Han, Yulei; Zhang, Kunhua; Xu, Xiaohong; Qiao, Zhenhua

    2017-01-01

    Using first-principles calculation methods, we study the possibility of realizing quantum anomalous Hall effect in graphene from stable 3\\textit{d}-atomic adsorption via charge-compensated \\textit{n}-\\textit{p} codoping scheme. As concrete examples, we show that long-range ferromagnetism can be established by codoping 3\\textit{d} transition metal and boron atoms, but only the Ni codopants can open up a global bulk gap to harbour the quantum anomalous Hall effect. Our estimated ferromagnetic C...

  6. Influence of local atomic configuration in AlGdN phosphor thin films on deep ultra-violet luminescence intensity

    Science.gov (United States)

    Kitayama, Shinya; Yoshitomi, Hiroaki; Iwahashi, Shinya; Nakamura, Junya; Kita, Takashi; Chigi, Yoshitaka; Nishimoto, Tetsuro; Tanaka, Hiroyuki; Kobayashi, Mikihiro; Ishihara, Tsuguo; Izumi, Hirokazu

    2011-11-01

    We investigated the narrowband ultraviolet emission properties of Al0.94Gd0.06N phosphor thin films pumped by an electron beam. An extremely narrow luminescence line, which was less than 1 nm from the intra-orbital f-f transition in Gd3+ ions, was confirmed at 318 nm. The corresponding emission efficiency was improved by decreasing the growth temperature. The extended X-ray absorption fine structure analysis of the local atomic structure revealed that a low-temperature growth led to the formation of a uniform atomic configuration around Gd, which was found to play a key role in improving the luminescence intensity of the films.

  7. Most Typical 12 Resonant Perturbation of the Hydrogen Atom by Weak Electric and Magnetic Fields

    NARCIS (Netherlands)

    Efstathiou, K.; Lukina, O. V.; Sadovskii, D. A.

    2008-01-01

    We study a perturbation of the hydrogen atom by small homogeneous static electric and magnetic fields in a specific mutual alignment with angle approximately pi/3 which results in the 12 resonance of the linearized Keplerian n-shell approximation. The bifurcation diagram of the classical integrable

  8. Photo-ionization cross-section of donor-related in (In,Ga)N/GaN core/shell under hydrostatic pressure and electric field effects

    Science.gov (United States)

    El Ghazi, Haddou; John Peter, A.

    2017-04-01

    Hydrogenic-like donor-impurity related self and induced polarizations, bending energy and photo-ionization cross section in spherical core/shell zinc blende (In,Ga)N/GaN are computed. Based on the variational approach and within effective-mass and one parabolic approximations, the calculations are made under finite potential barrier taking into account of the discontinuity of the effective-mass and the constant dielectric. The photo-ionization cross section is studied according to the photon incident energy considering the effects of hydrostatic pressure, applied electric field, structure's radius, impurity's position and indium composition in the core. It is obtained that the influences mentioned above lead to either blue shifts or redshifts of the resonant peak of the photo-ionization cross section spectrum. The unusual behavior related to the structure radius is discussed which is as a consequence of the finite potential confinement. We have shown that the photo-ionization cross section can be controlled with adjusting the internal and external factors. These properties can be useful for producing some device applications such as quantum dot infrared photodetectors.

  9. Growth and characterization of III-N ternary thin films by plasma assisted atomic layer epitaxy at low temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Nepal, Neeraj; Anderson, Virginia R.; Hite, Jennifer K.; Eddy, Charles R.

    2015-08-31

    We report the growth and characterization of III-nitride ternary thin films (Al{sub x}Ga{sub 1−x}N, In{sub x}Al{sub 1−x}N and In{sub x}Ga{sub 1−x}N) at ≤ 500 °C by plasma assisted atomic layer epitaxy (PA-ALE) over a wide stoichiometric range including the range where phase separation has been an issue for films grown by molecular beam epitaxy and metal organic chemical vapor deposition. The composition of these ternaries was intentionally varied through alterations in the cycle ratios of the III-nitride binary layers (AlN, GaN, and InN). By this digital alloy growth method, we are able to grow III-nitride ternaries by PA-ALE over nearly the entire stoichiometry range including in the spinodal decomposition region (x = 15–85%). These early efforts suggest great promise of PA-ALE at low temperatures for addressing miscibility gap challenges encountered with conventional growth methods and realizing high performance optoelectronic and electronic devices involving ternary/binary heterojunctions, which are not currently possible. - Highlights: • III-N ternaries grown at ≤ 500 °C by plasma assisted atomic layer epitaxy • Growth of InGaN and AlInN in the spinodal decomposition region (15–85%) • Epitaxial, smooth and uniform III-N film growth at low temperatures.

  10. Fast generation of N-atom Greenberger-Horne-Zeilinger state in separate coupled cavities via transitionless quantum driving

    Science.gov (United States)

    Shan, Wu-Jiang; Xia, Yan; Chen, Ye-Hong; Song, Jie

    2016-06-01

    By jointly using quantum Zeno dynamics and the approach of "transitionless quantum driving (TQD)" proposed by Berry to construct shortcuts to adiabatic passage, we propose an efficient scheme to fast generate multiatom Greenberger-Horne-Zeilinger (GHZ) state in separate cavities connected by optical fibers only by one-step manipulation. We first detail the generation of the three-atom GHZ state via TQD; then, we compare the proposed TQD scheme with the traditional ones with adiabatic passage. At last, the influence of various decoherence factors, such as spontaneous emission, cavity decay and fiber photon leakage, is discussed by numerical simulations. All of the results show that the present TQD scheme is fast and insensitive to atomic spontaneous emission and fiber photon leakage. Furthermore, the scheme can be directly generalized to realize N-atom GHZ state generation by the same principle in theory.

  11. (shell) nanoparticles

    Indian Academy of Sciences (India)

    equations for the scattering of electromagnetic radiation by particles with spherical or cylindrical symmetry. Aden and Kerker have published complete details of scattering from concentric spherical shells in 1951 [28]. In Mie theory, the harmonically oscillating electromagnetic fields are expressed in terms of a set of spherical ...

  12. MS-on-shell quark mass relation up to four loops in QCD and a general SU(N) gauge group

    Energy Technology Data Exchange (ETDEWEB)

    Marquard, Peter [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Smirnov, Alexander V. [Moscow State Univ. (Russian Federation). Research Computing Center; Smirnov, Vladimir A. [Moscow State Univ. (Russian Federation). Skobeltsyn Inst. of Nuclear Physics; Steinhauser, Matthias; Wellmann, David [Karlsruher Institut fuer Technologie (Germany). Inst. fuer Theoretische Teilchenphysik

    2016-06-15

    In this paper we compute the relation between heavy quark masses defined in the modified minimal subtraction and on-shell scheme. Detailed results are presented for all coefficients of the SU(N{sub c}) colour factors. The reduction of the four-loop on-shell integrals is performed for a general QCD gauge parameter. Some of the about 380 master integrals are computed analytically, others with high numerical precision based on Mellin-Barnes representations, and the rest numerically with the help of FIESTA. We discuss in detail the precise numerical evaluation of the four-loop master integrals. Updated relations between various short-distance masses and the MS quark mass to next-to-next-to-next-to-leading order accuracy are provided for the charm, bottom and top quark. We discuss the dependence on the renormalization and factorization scale.

  13. N:Si:P atomic ratio in the Santa Cruz Channel, Itamaracá-PE (Northeast Brazil: a nyctemeral variation

    Directory of Open Access Journals (Sweden)

    Montes Manuel de Jesús Flores

    2002-01-01

    Full Text Available Studies were carried out on the Inlets of Orange and Catuama at the Santa Cruz Channel, Itamaracá-PE, in the rainy and dry seasons, in a nyctemeral cycle, and in a transversal profile, with intervals of three hours between collections. The objective was to determine the spacial and temporal variation of the N:Si:P atomic ratio, and its possible inter-relations and dependencies, as well as the influence of the hydrodynamism provoked by the variation of the tides at different times of the year. Nitrite-N and nitrate-N were higher in the rainy season, while ammonia-N, phosphate-P and silicate-Si were higher in the dry season, which indicated different results than previous studies. The N:P atomic ratio was lower than 16:1, in all seasons and stations, being highest in the rainy season at Inlet Orange. The Si:P atomic ratio was always high. During the observed nyctemeral cycles, the main factors influencing the composition of the physical, chemical and biological parameters were the tide cycles and the meteorological parameters.

  14. Rational Design of Single Molybdenum Atoms Anchored on N-Doped Carbon for Effective Hydrogen Evolution Reaction.

    Science.gov (United States)

    Chen, Wenxing; Pei, Jiajing; He, Chun-Ting; Wan, Jiawei; Ren, Hanlin; Zhu, Youqi; Wang, Yu; Dong, Juncai; Tian, Shubo; Cheong, Weng-Chon; Lu, Siqi; Zheng, Lirong; Zheng, Xusheng; Yan, Wensheng; Zhuang, Zhongbin; Chen, Chen; Peng, Qing; Wang, Dingsheng; Li, Yadong

    2017-12-11

    The highly efficient electrochemical hydrogen evolution reaction (HER) provides a promising pathway to resolve energy and environment problems. An electrocatalyst was designed with single Mo atoms (Mo-SAs) supported on N-doped carbon having outstanding HER performance. The structure of the catalyst was probed by aberration-corrected scanning transmission electron microscopy (AC-STEM) and X-ray absorption fine structure (XAFS) spectroscopy, indicating the formation of Mo-SAs anchored with one nitrogen atom and two carbon atoms (Mo 1 N 1 C 2 ). Importantly, the Mo 1 N 1 C 2 catalyst displayed much more excellent activity compared with Mo 2 C and MoN, and better stability than commercial Pt/C. Density functional theory (DFT) calculation revealed that the unique structure of Mo 1 N 1 C 2 moiety played a crucial effect to improve the HER performance. This work opens up new opportunities for the preparation and application of highly active and stable Mo-based HER catalysts. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Quantitative analysis of hydrogen in SiO2/SiN/SiO2 stacks using atom probe tomography

    Directory of Open Access Journals (Sweden)

    Yorinobu Kunimune

    2016-04-01

    Full Text Available We have demonstrated that it is possible to reproducibly quantify hydrogen concentration in the SiN layer of a SiO2/SiN/SiO2 (ONO stack structure using ultraviolet laser-assisted atom probe tomography (APT. The concentration of hydrogen atoms detected using APT increased gradually during the analysis, which could be explained by the effect of hydrogen adsorption from residual gas in the vacuum chamber onto the specimen surface. The amount of adsorbed hydrogen in the SiN layer was estimated by analyzing another SiN layer with an extremely low hydrogen concentration (<0.2 at. %. Thus, by subtracting the concentration of adsorbed hydrogen, the actual hydrogen concentration in the SiN layer was quantified as approximately 1.0 at. %. This result was consistent with that obtained by elastic recoil detection analysis (ERDA, which confirmed the accuracy of the APT quantification. The present results indicate that APT enables the imaging of the three-dimensional distribution of hydrogen atoms in actual devices at a sub-nanometer scale.

  16. Dynamic hydration shell restores Kauzmann's 1959 explanation of how the hydrophobic factor drives protein folding

    Science.gov (United States)

    Baldwin, Robert L.

    2014-01-01

    Kauzmann's explanation of how the hydrophobic factor drives protein folding is reexamined. His explanation said that hydrocarbon hydration shells are formed, possibly of clathrate water, and they explain why hydrocarbons have uniquely low solubilities in water. His explanation was not universally accepted because of skepticism about the clathrate hydration shell. A revised version is given here in which a dynamic hydration shell is formed by van der Waals (vdw) attraction, as proposed in 1985 by Jorgensen et al. [Jorgensen WL, Gao J, Ravimohan C (1985) J Phys Chem 89:3470–3473]. The vdw hydration shell is implicit in theories of hydrophobicity that contain the vdw interaction between hydrocarbon C and water O atoms. To test the vdw shell model against the known hydration energetics of alkanes, the energetics should be based on the Ben-Naim standard state (solute transfer between fixed positions in the gas and liquid phases). Then the energetics are proportional to n, the number of water molecules correlated with an alkane by vdw attraction, given by the simulations of Jorgensen et al. The energetics show that the decrease in entropy upon hydration is the root cause of hydrophobicity; it probably results from extensive ordering of water molecules in the vdw shell. The puzzle of how hydrophobic free energy can be proportional to nonpolar surface area when the free energy is unfavorable and the only known interaction (the vdw attraction) is favorable, is resolved by finding that the unfavorable free energy is produced by the vdw shell. PMID:25157156

  17. Electron predators are hydrogen atom traps. Effects of aryl groups on N-C(α) bond dissociations of peptide radicals.

    Science.gov (United States)

    Tureček, František

    2010-11-01

    Effects of substituted aryl groups on dissociations of peptide aminoketyl radicals were studied computationally for model tetrapeptide intermediates GXD(•) G where X was a cysteine residue that was derivatized by S-(3-nitrobenzyl), S-(3-cyanobenzyl), S-(3,5-dicyanobenzyl), S-(2,3,4,5,6-pentafluorobenzyl), and S-benzyl groups. The aminoketyl radical was placed within the Asp amide group. Aminoketyl radicals having the S-(3-nitrobenzyl) group were found to undergo spontaneous and highly exothermic migration of the hydroxyl hydrogen atom onto the nitro group in conformers allowing interaction between these groups. Competing reaction channels were investigated for aminoketyl radicals having the S-(3-cyanobenzyl) and S-(3,5-dicyanobenzyl) groups, e.g. H-atom migration to the C and N atoms of the C≡N group, migration to the C-4 position of the phenyl ring, and dissociation of the radical-activated NC(α) bond between the Asp and Gly residues. RRKM kinetic analysis on the combined B3LYP and ROMP2/6-311++G(2d,p) potential energy surface indicated > 99% H-atom transfer to the C≡N group forming a stable iminyl intermediate. The NC(α) bond dissociation was negligible. In contrast, peptides with the S-(2,3,4,5,6-pentafluorobenzyl) and S-benzyl groups showed preferential NC(α) bond dissociation that outcompeted H-atom migration to the C-4 position and fluorine substituents in the phenyl ring. These computational results are used to suggest an alternative mechanism for the quenching effect on electron-based peptide backbone dissociations of benzyl groups with electron-withdrawing substitutents, as reported recently. Copyright © 2010 John Wiley & Sons, Ltd.

  18. Atomically Thin B doped g-C3N4 Nanosheets: High-Temperature Ferromagnetism and calculated Half-Metallicity.

    Science.gov (United States)

    Gao, Daqiang; Liu, Yonggang; Liu, Peitao; Si, Mingsu; Xue, Desheng

    2016-10-20

    Since the graphitic carbon nitride (g-C4N3), which can be seen as C-doped graphitic-C3N4 (g-C3N4), was reported to display ferromagnetic ground state and intrinsic half-metallicity (Du et al., PRL,108,197207,2012), it has attracted numerous research interest to tune the electronic structure and magnetic properties of g-C3N4 due to their potential applications in spintronic devices. In this paper, we reported the experimentally achieving of high temperature ferromagnetism in metal-free ultrathin g-C3N4 nanosheets by introducing of B atoms. Further, first-principles calculation results revealed that the current flow in such a system was fully spin-polarized and the magnetic moment was mainly attributed to the p orbital of N atoms in B doped g-C3N4 monolayer, giving the theoretic evidence of the ferromagnetism and half-metallicity. Our finding provided a new perspective for B doped g-C3N4 spintronic devices in future.

  19. An AlGaN Core-Shell Tunnel Junction Nanowire Light-Emitting Diode Operating in the Ultraviolet-C Band.

    Science.gov (United States)

    Sadaf, S M; Zhao, S; Wu, Y; Ra, Y-H; Liu, X; Vanka, S; Mi, Z

    2017-02-08

    To date, semiconductor light emitting diodes (LEDs) operating in the deep ultraviolet (UV) spectral range exhibit very low efficiency due to the presence of large densities of defects and extremely inefficient p-type conduction of conventional AlGaN quantum well heterostructures. We have demonstrated that such critical issues can be potentially addressed by using nearly defect-free AlGaN tunnel junction core-shell nanowire heterostructures. The core-shell nanowire arrays exhibit high photoluminescence efficiency (∼80%) in the UV-C band at room temperature. With the incorporation of an epitaxial Al tunnel junction, the p-(Al)GaN contact-free nanowire deep UV LEDs showed nearly one order of magnitude reduction in the device resistance, compared to the conventional nanowire p-i-n device. The unpackaged Al tunnel junction deep UV LEDs exhibit an output power >8 mW and a peak external quantum efficiency ∼0.4%, which are nearly one to two orders of magnitude higher than previously reported AlGaN nanowire devices. Detailed studies further suggest that the maximum achievable efficiency is limited by electron overflow and poor light extraction efficiency due to the TM polarized emission.

  20. The atomic structure of polar and non-polar InGaN quantum wells and the green gap problem.

    Science.gov (United States)

    Humphreys, C J; Griffiths, J T; Tang, F; Oehler, F; Findlay, S D; Zheng, C; Etheridge, J; Martin, T L; Bagot, P A J; Moody, M P; Sutherland, D; Dawson, P; Schulz, S; Zhang, S; Fu, W Y; Zhu, T; Kappers, M J; Oliver, R A

    2017-05-01

    We have used high resolution transmission electron microscopy (HRTEM), aberration-corrected quantitative scanning transmission electron microscopy (Q-STEM), atom probe tomography (APT) and X-ray diffraction (XRD) to study the atomic structure of (0001) polar and (11-20) non-polar InGaN quantum wells (QWs). This paper provides an overview of the results. Polar (0001) InGaN in QWs is a random alloy, with In replacing Ga randomly. The InGaN QWs have atomic height interface steps, resulting in QW width fluctuations. The electrons are localised at the top QW interface by the built-in electric field and the well-width fluctuations, with a localisation energy of typically 20meV. The holes are localised near the bottom QW interface, by indium fluctuations in the random alloy, with a localisation energy of typically 60meV. On the other hand, the non-polar (11-20) InGaN QWs contain nanometre-scale indium-rich clusters which we suggest localise the carriers and produce longer wavelength (lower energy) emission than from random alloy non-polar InGaN QWs of the same average composition. The reason for the indium-rich clusters in non-polar (11-20) InGaN QWs is not yet clear, but may be connected to the lower QW growth temperature for the (11-20) InGaN QWs compared to the (0001) polar InGaN QWs. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

  1. Mechanistic elucidation of the stepwise formation of a tetranuclear manganese pinned butterfly cluster via N-N bond cleavage, hydrogen atom transfer, and cluster rearrangement.

    Science.gov (United States)

    Hamilton, Clifton R; Gau, Michael R; Baglia, Regina A; McWilliams, Sean F; Zdilla, Michael J

    2014-12-31

    A mechanistic pathway for the formation of the structurally characterized manganese-amide-hydrazide pinned butterfly complex, Mn4(μ3-PhN-NPh-κ(3)N,N')2(μ-PhN-NPh-κ(2)-N,N')(μ-NHPh)2L4 (L = THF, py), is proposed and supported by the use of labeling studies, kinetic measurements, kinetic competition experiments, kinetic isotope effects, and hydrogen atom transfer reagent substitution, and via the isolation and characterization of intermediates using X-ray diffraction and electron paramagnetic resonance spectroscopy. The data support a formation mechanism whereby bis[bis(trimethylsilyl)amido]manganese(II) (Mn(NR2)2, where R = SiMe3) reacts with N,N'-diphenylhydrazine (PhNHNHPh) via initial proton transfer, followed by reductive N-N bond cleavage to form a long-lived Mn(IV) imido multinuclear complex. Coordinating solvents activate this cluster for abstraction of hydrogen atoms from an additional equivalent of PhNHNHPh resulting in a Mn(II)phenylamido dimer, Mn2(μ-NHPh)2(NR2)2L2. This dimeric complex further assembles in fast steps with two additional equivalents of PhNHNHPh replacing the terminal silylamido ligands with η(1)-hydrazine ligands to give a dimeric Mn2(μ-NHPh)2(PhN-NHPh)2L4 intermediate, and finally, the addition of two additional equivalents of Mn(NR2)2 and PhNHNHPh gives the pinned butterfly cluster.

  2. Optimized Anti-pathogenic Agents Based on Core/Shell Nanostructures and 2-((4-Ethylphenoxy)ethyl)-N-(substituted-phenylcarbamothioyl)-benzamides

    Science.gov (United States)

    Limban, Carmen; Grumezescu, Alexandru Mihai; Saviuc, Crina; Voicu, Georgeta; Predan, Gentiana; Sakizlian, Robert; Chifiriuc, Mariana Carmen

    2012-01-01

    The purpose of this study was to design a new nanosystem for catheter surface functionalization with an improved resistance to Staphylococcus aureus ATCC 25923 and Pseudomonas aeruginosa ATCC 27853 colonization and subsequent biofilm development. New 2-((4-ethylphenoxy)methyl)-N-(substituted-phenylcarbamothioyl)-benzamides were synthesized and used for coating a core/shell nanostructure. Their chemical structures were elucidated by NMR, IR and elemental analysis, being in agreement with the proposed ones. Fe3O4/C12 of up to 5 nm size had been synthesized with lauric acid as a coating agent and characterized by XRD, FT-IR, TGA, TEM and biological assays. The catheter pieces were coated with the fabricated nanofluid in magnetic field. The microbial adherence ability was investigated in 6 multiwell plates by using culture based methods and Scanning Electron Microscopy (SEM). The nanoparticles coated with the obtained compounds 1a–c inhibited the adherence and biofilm development ability of the S. aureus and P. aeruginosa tested strains on the catheter functionalized surface, as shown by the reduction of viable cell counts and SEM examination of the biofilm architecture. Using the novel core/shell/adsorption-shell to inhibit the microbial adherence could be of a great interest for the biomedical field, opening new directions for the design of film-coated surfaces with improved anti-biofilm properties. PMID:23202915

  3. Optimized Anti-pathogenic Agents Based on Core/Shell Nanostructures and 2-((4-Ethylphenoxyethyl-N-(substituted-phenylcarbamothioyl-benzamides

    Directory of Open Access Journals (Sweden)

    Mariana Carmen Chifiriuc

    2012-10-01

    Full Text Available The purpose of this study was to design a new nanosystem for catheter surface functionalization with an improved resistance to Staphylococcus aureus ATCC 25923 and Pseudomonas aeruginosa ATCC 27853 colonization and subsequent biofilm development. New 2-((4 ethylphenoxymethyl-N-(substituted-phenylcarbamothioyl-benzamides were synthesized and used for coating a core/shell nanostructure. Their chemical structures were elucidated by NMR, IR and elemental analysis, being in agreement with the proposed ones. Fe3O4/C12 of up to 5 nm size had been synthesized with lauric acid as a coating agent and characterized by XRD, FT-IR, TGA, TEM and biological assays. The catheter pieces were coated with the fabricated nanofluid in magnetic field. The microbial adherence ability was investigated in 6 multiwell plates by using culture based methods and Scanning Electron Microscopy (SEM. The nanoparticles coated with the obtained compounds 1a–c inhibited the adherence and biofilm development ability of the S. aureus and P. aeruginosa tested strains on the catheter functionalized surface, as shown by the reduction of viable cell counts and SEM examination of the biofilm architecture. Using the novel core/shell/adsorption-shell to inhibit the microbial adherence could be of a great interest for the biomedical field, opening new directions for the design of film-coated surfaces with improved anti-biofilm properties.

  4. Two-step high-resolution laser spectroscopy of the Stark substates of the n = 33 level in atomic hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Delsart, C.; Cabaret, L.; Blondel, C.; Champeau, R.J.

    1987-09-28

    Two synchronised pulsed single-mode tunable laser systems are used to excite atomic hydrogen in an atomic beam. A vacuum ultraviolet laser populates first the 2p /sup 2/Psub(3/2) sublevel from the ground 1s/sup 2/Ssub(1/2) state. A second-step UV laser selects substates of the n = 33 manifold in the presence of a weak electric field. Stark patterns of this manifold are recorded for different polarisation configurations of the exciting light beams. The measured relative intensities of the Stark components agree with the theoretical excitation probabilities in the two-step process, calculated to the first order of perturbation theory. Varying the field value of the ionisation field pulse also makes it possible to plot the ionisation threshold against the parabolic quantum number in the n = 33 manifold. The results agree with an asymptotic formula of ionisation probabilities for hydrogen perturbed by an electric field.

  5. Structure of V(2)O(5)*nH(2)O xerogel solved by the atomic pair distribution function technique.

    Science.gov (United States)

    Petkov, Valeri; Trikalitis, Pantelis N; Bozin, Emil S; Billinge, Simon J L; Vogt, Thomas; Kanatzidis, Mercouri G

    2002-08-28

    A long-standing issue regarding the local and long-range structure of V(2)O(5)*nH(2)O xerogel has been successfully addressed. The full three-dimensional structure of the lamellar turbostratic V(2)O(5)*nH(2)O xerogel was determined by the atomic pair distribution function technique. We show that on the atomic scale the slabs of the xerogel can be described well as almost perfect pairs (i.e., bilayers) of single V(2)O(5) layers made of square pyramidal VO(5) units. These slabs are separated by water molecules and stack along the z-axis of a monoclinic unit cell (space group C2/m) with parameters a = 11.722(3) A, b = 3.570(3) A, c = 11.520(3) A, and beta = 88.65 degrees. The stacking sequence shows signatures of turbostratic disorder and a structural coherence limited to 50 A.

  6. Ultrafine Sn nanoparticles embedded in shell of N-doped hollow carbon spheres as high rate anode for lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Dou, Peng; Cao, Zhenzhen; Wang, Chao; Zheng, Jiao [School of Materials Science and Engineering, Tianjin University, Tianjin 300072 (China); Xu, Xinhua, E-mail: xhxutju@gmail.com [School of Materials Science and Engineering, Tianjin University, Tianjin 300072 (China); Tianjin Key Laboratory of Composite and Functional Materials, Tianjin 300072 (China)

    2017-05-15

    Highlights: • Dynamic covalent bond in polymeric nanoparticles is used to induce hollow Sn{sup 4+}-MOPs. • Ultrafine Sn nanoparticles uniformly embedded in shell of N-doped hollow carbon spheres is successfully synthesized by pyrolysis of the Sn{sup 4+}-MOPs precursor. • The composite exhibits superior cycle stability and rate capacity. - Abstract: A novel reversible interaction in polymeric nanoparticles is used to induce hollow Sn{sup 4+}-MOPs. Then ultrafine Sn nanoparticles uniformly embedded in shell of N-doped hollow carbon spheres is successfully synthesized by pyrolysis of the Sn{sup 4+}-MOPs precursor. In this architecture, the N-doped carbon shells can effectively avoid the direct exposure of embedded Sn nanoparticles to the electrolyte and efficiently accommodate the volume change of Sn nanoparticles. Furthermore, the hollow structure of carbon sphere can prevent Sn nanoparticles aggregation over repeated cycling and shorten the diffusion path of both electrons and ions. As a consequence, this N-doped hollow Sn/C anode delivers a reversible capacity of 606 mA h g{sup −1} at a current density of 0.2 A g{sup −1} after 250 cycles and a reversible capacity of 221 mA h g{sup −1} even at a much higher current density of 10 A g{sup −1}, which are much better than those of pure Sn nanoparticles. The desirable cyclic stability and rate capability were attributed to the unique architecture that provided fast pathway for electron transport and simultaneously solved the major issues of Sn-based anodes, such as pulverization, aggregation and loss of electrical contact.

  7. Dehydrogenation of N{sub 2}H{sub X} (X = 2 − 4) by nitrogen atoms: Thermochemical and kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Spada, Rene Felipe Keidel; Araujo Ferrão, Luiz Fernando de [Departamento de Química, Instituto Tecnológico de Aeronáutica, São José dos Campos 12.228-900, São Paulo (Brazil); Departamento de Física, Instituto Tecnológico de Aeronáutica, São José dos Campos 12.228-900, São Paulo (Brazil); Roberto-Neto, Orlando [Divisão de Aerotermodinâmica e Hipersônica, Instituto de Estudos Avançados, São José dos Campos 12.229-840, São Paulo (Brazil); Machado, Francisco Bolivar Correto, E-mail: fmachado@ita.br [Departamento de Química, Instituto Tecnológico de Aeronáutica, São José dos Campos 12.228-900, São Paulo (Brazil)

    2013-11-21

    Thermochemical and kinetics of sequential hydrogen abstraction reactions from hydrazine by nitrogen atoms were studied. The dehydrogenation was divided in three steps, N{sub 2}H{sub 4} + N, N{sub 2}H{sub 3} + N, and N{sub 2}H{sub 2} + N. The thermal rate constants were calculated within the framework of canonical variational theory, with zero and small curvature multidimensional tunnelling corrections. The reaction paths were computed with the BB1K/aug-cc-pVTZ method and the thermochemical properties were improved with the CCSD(T)/CBS//BB1K/aug-cc-pVTZ approach. The first dehydrogenation step presents the lowest rate constants, equal to 1.22 × 10{sup −20} cm{sup 3} molecule{sup −1} s{sup −1} at 298 K.

  8. Unusual electroluminescence from n-ZnO@i-MgO core-shell nanowire color-tunable light-emitting diode at reverse bias.

    Science.gov (United States)

    Mo, Xiaoming; Fang, Guojia; Long, Hao; Li, Songzhan; Wang, Haoning; Chen, Zhao; Huang, Huihui; Zeng, Wei; Zhang, Yupeng; Pan, Chunxu

    2014-05-28

    Light-emitting diodes (LEDs) based on n-ZnO@i-MgO core-shell (CS) nanowires (NWs) are herein demonstrated and characterized. MgO insulating layers were rationally introduced as shells to modify/passivate the surface defects of ZnO NWs. A high-quality ZnO/MgO interface was attained and the optically pumped near-band-edge emission of the bare ZnO NWs was greatly enhanced after cladding i-MgO shells. Electroluminescence (EL) spectra measured in the whole UV-visible range revealed that light emission can only be detected when LEDs were applied with reverse bias. Moreover, the emission color can be tuned from orange to bright white with increasing reverse bias. We explored these interesting results tentatively in terms of the energy-band diagram of the heterojunction and it was found that the interfacial i-MgO shells not only acted as an insulator to prevent a short circuit between the two electrodes, but also offered a potential energy difference so that electron tunneling was energetically possible, both of which were essential to generate the reverse-bias EL. The dipole-forbidden d-d transitions by the Laporte selection rule in the p-NiO might be the reason to why there is no light being detected from the CS NW LED under forward bias. It is hoped that this simple and facile route may provide an effective approach in designing low-cost CS NW LEDs.

  9. Shell worlds

    Science.gov (United States)

    Roy, Kenneth I.; Kennedy, Robert G., III; Fields, David E.

    2013-02-01

    The traditional concept of terraforming assumes ready availability of candidate planets with acceptable qualities: orbiting a star in its "Goldilocks zone", liquid water, enough mass, years longer than days, magnetic field, etc. But even stipulating affordable interstellar travel, we still might never find a good candidate elsewhere. Whatever we found likely would require centuries of heavy terraforming, just as Mars or Venus would here. Our increasing appreciation of the ubiquity of life suggests that any terra nova would already possess it. We would then face the dilemma of introducing alien life forms (us, our microbes) into another living world. Instead, we propose a novel method to create habitable environments for humanity by enclosing airless, sterile, otherwise useless planets, moons, and even large asteroids within engineered shells, which avoids the conundrum. These shells are subject to two opposing internal stresses: compression due to the primary's gravity, and tension from atmospheric pressure contained inside. By careful design, these two cancel each other resulting in zero net shell stress. Beneath the shell an Earth-like environment could be created similar in almost all respects to that of Home, except for gravity, regardless of the distance to the sun or other star. Englobing a small planet, moon, or even a dwarf planet like Ceres, would require astronomical amounts of material (quadrillions of tons) and energy, plus a great deal of time. It would be a quantum leap in difficulty over building Dyson Dots or industrializing our solar system, perhaps comparable to a mission across interstellar space with a living crew within their lifetime. But when accomplished, these constructs would be complete (albeit small) worlds, not merely large habitats. They could be stable across historic timescales, possibly geologic. Each would contain a full, self-sustaining ecology, which might evolve in curious directions over time. This has interesting implications

  10. Core-shell Prussian blue analogue molecular magnet Mn(1.5)[Cr(CN)6]·mH2O@Ni(1.5)[Cr(CN)6]·nH2O for hydrogen storage.

    Science.gov (United States)

    Bhatt, Pramod; Banerjee, Seemita; Anwar, Sharmistha; Mukadam, Mayuresh D; Meena, Sher Singh; Yusuf, Seikh M

    2014-10-22

    Core-shell Prussian blue analogue molecular magnet Mn1.5[Cr(CN)6]·mH2O@Ni1.5[Cr(CN)6]·nH2O has been synthesized using a core of Mn1.5[Cr(CN)6]·7.5H2O, surrounded by a shell of Ni1.5[Cr(CN)6]·7.5H2O compound. A transmission electron microscopy (TEM) study confirms the core-shell nature of the nanoparticles with an average size of ∼25 nm. The core-shell nanoparticles are investigated by using x-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS) and elemental mapping, X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), and infrared (IR) spectroscopy. The Rietveld refinement of the XRD pattern reveals that the core-shell compound has a face-centered cubic crystal structure with space group Fm3m. The observation of characteristic absorption bands in the range of 2000-2300 cm(-1) in IR spectra corresponds to the CN stretching frequency of Mn(II)/Ni(II)-N≡C-Cr(III) sequence, confirming the formation of Prussian blue analogues. Hydrogen absorption isotherm measurements have been used to investigate the kinetics of molecular hydrogen adsorption into core-shell compounds of the Prussian blue analogue at low temperature conditions. Interestingly, the core-shell compound shows an enhancement in the hydrogen capacity (2.0 wt % at 123 K) as compared to bare-core and bare-shell compounds. The hydrogen adsorption capacity has been correlated with the specific surface area and TGA analysis of the core-shell compound. To the best of our knowledge, this is the first report on the hydrogen storage properties of core-shell Prussian blue analogue molecular magnet that could be useful for hydrogen storage applications.

  11. Increase the threshold voltage of high voltage GaN transistors by low temperature atomic hydrogen treatment

    Energy Technology Data Exchange (ETDEWEB)

    Erofeev, E. V., E-mail: erofeev@micran.ru [Tomsk State University of Control Systems and Radioelectronics, Research Institute of Electrical-Communication Systems (Russian Federation); Fedin, I. V.; Kutkov, I. V. [Research and Production Company “Micran” (Russian Federation); Yuryev, Yu. N. [National Research Tomsk Polytechnic University, Institute of Physics and Technology (Russian Federation)

    2017-02-15

    High-electron-mobility transistors (HEMTs) based on AlGaN/GaN epitaxial heterostructures are a promising element base for the fabrication of high voltage electronic devices of the next generation. This is caused by both the high mobility of charge carriers in the transistor channel and the high electric strength of the material, which makes it possible to attain high breakdown voltages. For use in high-power switches, normally off-mode GaN transistors operating under enhancement conditions are required. To fabricate normally off GaN transistors, one most frequently uses a subgate region based on magnesium-doped p-GaN. However, optimization of the p-GaN epitaxial-layer thickness and the doping level makes it possible to attain a threshold voltage of GaN transistors close to V{sub th} = +2 V. In this study, it is shown that the use of low temperature treatment in an atomic hydrogen flow for the p-GaN-based subgate region before the deposition of gate-metallization layers makes it possible to increase the transistor threshold voltage to V{sub th} = +3.5 V. The effects under observation can be caused by the formation of a dipole layer on the p-GaN surface induced by the effect of atomic hydrogen. The heat treatment of hydrogen-treated GaN transistors in a nitrogen environment at a temperature of T = 250°C for 12 h reveals no degradation of the transistor’s electrical parameters, which can be caused by the formation of a thermally stable dipole layer at the metal/p-GaN interface as a result of hydrogenation.

  12. On the difficulty of N({sup 4}S) atom recombination to explain the appearance of the pink afterglow in a N{sub 2} flowing discharge

    Energy Technology Data Exchange (ETDEWEB)

    Loureiro, J [Centro de Fisica dos Plasmas, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal); Sa, P A [Centro de Fisica dos Plasmas, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal); Departamento de Fisica, Faculdade de Engenharia, Universidade do Porto, 4200-465 Porto (Portugal); Guerra, V [Centro de Fisica dos Plasmas, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal)

    2006-01-07

    The possibility that the pink afterglow (PA) of a flowing nitrogen discharge occurs as a result of recombination of N({sup 4}S) atoms is evaluated and discussed, based on a detailed kinetic model for a microwave discharge and post-discharge. The present simulation shows that the N{sub 2}{sup +}(B{sup 2}{sigma}{sub u}{sup +},v) states responsible for the emission of the PA cannot be created via an indirect mechanism initiated with atomic recombination. Alternatively, it is indicated that the PA may have its origin in non-resonant vibration-vibration energy-exchange processes between N{sub 2}(X{sup 1}{sigma}{sub g}{sup +},v) molecules, which lead to an overpopulation of high levels of the vibrational manifold.

  13. A Simple Synthesis of an N-Doped Carbon ORR Catalyst: Hierarchical Micro/Meso/Macro Porosity and Graphitic Shells.

    Science.gov (United States)

    Eisenberg, David; Stroek, Wowa; Geels, Norbert J; Sandu, Cosmin S; Heller, Adam; Yan, Ning; Rothenberg, Gadi

    2016-01-11

    Replacing platinum as an oxygen reduction catalyst is an important scientific and technological challenge. Herein we report a simple synthesis of a complex carbon with very good oxygen reduction reaction (ORR) activity at pH 13. Pyrolysis of magnesium nitrilotriacetate yields a carbon with hierarchical micro/meso/macro porosity, resulting from in situ templating by spontaneously forming MgO nanoparticles and from etching by pyrolysis gases. The mesopores are lined with highly graphitic shells. The high ORR activity is attributed to a good balance between high specific surface area and mass transport through the hierarchical porosity, and to improved electronic conductivity through the graphitic shells. This novel carbon has a high surface area (1320 m(2) g(-1) ), and high nitrogen content for a single precursor synthesis (∼6 %). Importantly, its synthesis is both cheap and easily scalable. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Synthesis of nano-hydroxyapatite (nHA) from waste mussel shells using a rapid microwave method

    Energy Technology Data Exchange (ETDEWEB)

    Shavandi, Amin, E-mail: amin.shavandi@postgrad.otago.ac.nz [Department of Food Sciences, University of Otago, Dunedin (New Zealand); Bekhit, Alaa El-Din A. [Department of Food Sciences, University of Otago, Dunedin (New Zealand); Ali, Azam [Department of Applied Sciences, University of Otago, Dunedin (New Zealand); Sun, Zhifa [Department of Physics, University of Otago, Dunedin (New Zealand)

    2015-01-15

    Nano-crystalline hydroxyapatite (HA, Ca{sub 10}(PO{sub 4}){sub 6}(OH){sub 2}) was produced from waste mussel shells using a rapid microwave irradiation method. Mussel shells were converted to rod like nano-crystalline HA particles of 30–70 nm long using 0.1 M EDTA as a chelating agent for 30 min after an appropriate pre-treatment and an irradiation step in a microwave with a power of 1.1 kW. The produced HA was characterised using X-ray diffraction (XRD), scanning electron microscopy (SEM) coupled with energy-dispersive X-ray spectroscopy (EDS), transmission electron microscopy (TEM), thermo gravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT-IR) and inductively coupled plasma mass spectrometry (ICP-MS) to determine the morphology, particle size, crystal phases, elemental composition and thermal behaviour. Furthermore, to benchmark the synthesized HA obtained from mussel shells, it was compared with a commercially pure HA (Sigma–Aldrich). The thermal analysis showed that the synthesized HA has remarkable heat stability at 1000 °C, and the XRD and FTIR results showed a high purity of the synthesized HA powders. Compared to the conventional hydrothermal treatment, microwave-assisted method has the advantages of an increased rate of HA formation. The obtained HA have potential engineering applications as materials for bone-tissues. - Highlights: • Waste mussel shells were successfully converted to nano sized hydroxyapatite. • Microwave-assisted technique accelerated the conversion process. • The physicochemical properties of the produced hydroxyapatite are reported. • The prepared hydroxyapatite has nano sized particles of less than 100 nm.

  15. Coulomb excitation $^{74}$Zn-$^{80}$Zn (N=50): probing the validity of shell-model descriptions around $^{78}$Ni

    CERN Multimedia

    A study of the evolution of the nuclear structure along the zinc isotopic chain close to the doubly magic nucleus $^{78}$Ni is proposed to probe recent shell-model calculations in this area of the nuclear chart. Excitation energies and connecting B(E2) values will be measured through multiple Coulomb excitation experiment with laser ionized purified beams of $^{74-80}$Zn from HIE ISOLDE. The current proposal request 30 shifts.

  16. Physico-Chemical and Structural Interpretation of Discrete Derivative Indices on N-Tuples Atoms

    Directory of Open Access Journals (Sweden)

    Oscar Martínez-Santiago

    2016-05-01

    Full Text Available This report examines the interpretation of the Graph Derivative Indices (GDIs from three different perspectives (i.e., in structural, steric and electronic terms. It is found that the individual vertex frequencies may be expressed in terms of the geometrical and electronic reactivity of the atoms and bonds, respectively. On the other hand, it is demonstrated that the GDIs are sensitive to progressive structural modifications in terms of: size, ramifications, electronic richness, conjugation effects and molecular symmetry. Moreover, it is observed that the GDIs quantify the interaction capacity among molecules and codify information on the activation entropy. A structure property relationship study reveals that there exists a direct correspondence between the individual frequencies of atoms and Hückel’s Free Valence, as well as between the atomic GDIs and the chemical shift in NMR, which collectively validates the theory that these indices codify steric and electronic information of the atoms in a molecule. Taking in consideration the regularity and coherence found in experiments performed with the GDIs, it is possible to say that GDIs possess plausible interpretation in structural and physicochemical terms.

  17. Effective atomic numbers of some H-, C-, N-and O-based composite ...

    Indian Academy of Sciences (India)

    The differential incoherent scattering cross-sections of the composite materials of interest measured at these three angles in the same set-up and substituted in this expression would yield their effective atomic number at the three energies. Results obtained in this manner for bakelite, nylon, epoxy, teflon, perspex and some ...

  18. Acrylamide Homopolymers and Acrylamide-N-Isopropylacrylamide Block Copolymers by Atomic Transfer Radical Polymerization in Water

    NARCIS (Netherlands)

    Wever, D. A. Z.; Raffa, P.; Picchioni, F.; Broekhuis, A. A.

    2012-01-01

    Atomic transfer radical polymerization (ATRP) of acrylamide has been accomplished in aqueous media at room temperature. By using methyl 2-chloropropionate (MeClPr) as the initiator and tris[2-(dimethylamino)ethyl]-amine (Me6TREN)/copper halogenide (CuX) as the catalyst system, different linear

  19. Lattice location of dopant atoms: An N-body model calculation

    Indian Academy of Sciences (India)

    2015-11-27

    Nov 27, 2015 ... The close encounter yield from dopant atoms in silicon is determined from the flux density, using the Bontemps and Fontenille method. All previous works reported in literature so far have been done with computer programmes using a statistical analytical expression or by a binary collision model or a ...

  20. Physico-Chemical and Structural Interpretation of Discrete Derivative Indices on N-Tuples Atoms

    Science.gov (United States)

    Martínez-Santiago, Oscar; Marrero-Ponce, Yovani; Barigye, Stephen J.; Le Thi Thu, Huong; Torres, F. Javier; Zambrano, Cesar H.; Muñiz Olite, Jorge L.; Cruz-Monteagudo, Maykel; Vivas-Reyes, Ricardo; Vázquez Infante, Liliana; Artiles Martínez, Luis M.

    2016-01-01

    This report examines the interpretation of the Graph Derivative Indices (GDIs) from three different perspectives (i.e., in structural, steric and electronic terms). It is found that the individual vertex frequencies may be expressed in terms of the geometrical and electronic reactivity of the atoms and bonds, respectively. On the other hand, it is demonstrated that the GDIs are sensitive to progressive structural modifications in terms of: size, ramifications, electronic richness, conjugation effects and molecular symmetry. Moreover, it is observed that the GDIs quantify the interaction capacity among molecules and codify information on the activation entropy. A structure property relationship study reveals that there exists a direct correspondence between the individual frequencies of atoms and Hückel’s Free Valence, as well as between the atomic GDIs and the chemical shift in NMR, which collectively validates the theory that these indices codify steric and electronic information of the atoms in a molecule. Taking in consideration the regularity and coherence found in experiments performed with the GDIs, it is possible to say that GDIs possess plausible interpretation in structural and physicochemical terms. PMID:27240357

  1. Core-shell nanostructured catalysts.

    Science.gov (United States)

    Zhang, Qiao; Lee, Ilkeun; Joo, Ji Bong; Zaera, Francisco; Yin, Yadong

    2013-08-20

    Novel nanotechnologies have allowed great improvements in the syn-thesis of catalysts with well-controlled size, shape, and surface properties. Transition metal nanostructures with specific sizes and shapes, for instance, have shown great promise as catalysts with high selectivities and relative ease of recycling. Researchers have already demonstrated new selective catalysis with solution-dispersed or supported-metal nanocatalysts, in some cases applied to new types of reactions. Several challenges remain, however, particularly in improving the structural stability of the catalytic active phase. Core-shell nanostructures are nanoparticles encapsulated and protected by an outer shell that isolates the nanoparticles and prevents their migration and coalescence during the catalytic reactions. The synthesis and characterization of effective core-shell catalysts has been at the center of our research efforts and is the focus of this Account. Efficient core-shell catalysts require porous shells that allow free access of chemical species from the outside to the surface of nanocatalysts. For this purpose, we have developed a surface-protected etching process to prepare mesoporous silica and titania shells with controllable porosity. In certain cases, we can tune catalytic reaction rates by adjusting the porosity of the outer shell. We also designed and successfully applied a silica-protected calcination method to prepare crystalline shells with high surface area, using anatase titania as a model system. We achieved a high degree of control over the crystallinity and porosity of the anatase shells, allowing for the systematic optimization of their photocatalytic activity. Core-shell nanostructures also provide a great opportunity for controlling the interaction among the different components in ways that might boost structural stability or catalytic activity. For example, we fabricated a SiO₂/Au/N-doped TiO₂ core-shell photocatalyst with a sandwich structure that showed

  2. Non-perturbative study of rotationally induced inner-shell excitation

    Science.gov (United States)

    Wille, U.

    1982-03-01

    Within the time-dependent formulation of atomic scattering theory, the exponential representation (“Magnus expansion”) of the quantum mechanical time-evolution matrix is used in a non-perturbative study of rotationally induced inner-shell excitation in slow ion-atom collisions. The impact-parameter dependence of this type of process is shown to represent a transparent example for testing the convergence properties of the Magnus expansion. The specific structure of the Magnus expansion for multi-state rotational coupling in the vicinity of a united-atom ( n, l) shell is investigated, and the analytic solution which this problem admits in the sudden limit is discussed. Explicit calculations within the Magnus approach have been performed for typical two-state and three-state problems relevant to K-shell and L-shell excitation. Their results are compared to the results of the sudden approximation and of coupled-state calculations. Good agreement between the Magnus results and the coupled-state calculations is obtained throughout if terms up to third order are retained in the commutator expansion of the exponent matrix associated with the time-evolution matrix.

  3. Transferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibrium Calculations: n-Alkanes and n-Olefins.

    Science.gov (United States)

    Hemmen, Andrea; Gross, Joachim

    2015-09-03

    A new transferable force field parametrization for n-alkanes and n-olefins is proposed in this work. A united-atom approach is taken, where hydrogen atoms are lumped with neighboring atoms to single interaction sites. A comprehensive study is conducted for alkanes, optimizing van der Waals force field parameters in 6 dimensions. A Mie n-6 potential is considered for the van der Waals interaction, where for n-alkanes we simultaneously optimize the energy parameters ϵCH3 and ϵCH2 as well as the size parameters σCH3 and σCH2 of the CH3(sp(3)) and CH2(sp(3)) groups. Further, the repulsive exponent n of the Mie n-6 potential is varied. Moreover, we investigate the bond length toward the terminal CH3 group as a degree of freedom. According to the AUA (anisotropic united-atom) force field, the bond length between the terminal CH3 group and the neighboring interaction site should be increased by Δl compared with the carbon-carbon distance in order to better account for the hydrogen atoms. The parameter Δl is considered as a degree of freedom. The intramolecular force field parametrization is taken from existing force fields. A single objective function for the optimization is defined as squared relative deviations in vapor pressure and in liquid density of propane, n-butane, n-hexane, and n-octane. A similar study is also done for olefins, where the objective function includes 1-butene, 1-hexene, 1-octene, cis-2-pentene, and trans-2-pentene. Molecular simulations are performed in the grand canonical ensemble with transition-matrix sampling where the phase equilibrium properties are obtained with the histogram reweighting technique. The 6-dimensional optimization of strongly correlated parameters is possible, because the analytic PC-SAFT equation of state is used to locally correlate simulation results. The procedure is iterative but leads to very efficient convergence. An implementation is proposed, where the converged result is not affected (disturbed) by the

  4. Ultrafine Sn nanoparticles embedded in shell of N-doped hollow carbon spheres as high rate anode for lithium-ion batteries

    Science.gov (United States)

    Dou, Peng; Cao, Zhenzhen; Wang, Chao; Zheng, Jiao; Xu, Xinhua

    2017-05-01

    A novel reversible interaction in polymeric nanoparticles is used to induce hollow Sn4+-MOPs. Then ultrafine Sn nanoparticles uniformly embedded in shell of N-doped hollow carbon spheres is successfully synthesized by pyrolysis of the Sn4+-MOPs precursor. In this architecture, the N-doped carbon shells can effectively avoid the direct exposure of embedded Sn nanoparticles to the electrolyte and efficiently accommodate the volume change of Sn nanoparticles. Furthermore, the hollow structure of carbon sphere can prevent Sn nanoparticles aggregation over repeated cycling and shorten the diffusion path of both electrons and ions. As a consequence, this N-doped hollow Sn/C anode delivers a reversible capacity of 606 mA h g-1 at a current density of 0.2 A g-1 after 250 cycles and a reversible capacity of 221 mA h g-1 even at a much higher current density of 10 A g-1, which are much better than those of pure Sn nanoparticles. The desirable cyclic stability and rate capability were attributed to the unique architecture that provided fast pathway for electron transport and simultaneously solved the major issues of Sn-based anodes, such as pulverization, aggregation and loss of electrical contact.

  5. Communication: H-atom reactivity as a function of temperature in solid parahydrogen: The H + N2O reaction

    Science.gov (United States)

    Mutunga, Fredrick M.; Follett, Shelby E.; Anderson, David T.

    2013-10-01

    We present low temperature kinetic measurements for the H + N2O association reaction in solid parahydrogen (pH2) at liquid helium temperatures (1-5 K). We synthesize 15N218O doped pH2 solids via rapid vapor deposition onto an optical substrate attached to the cold tip of a liquid helium bath cryostat. We then subject the solids to short duration 193 nm irradiations to generate H-atoms produced as byproducts of the in situ N2O photodissociation, and monitor the subsequent reaction kinetics using rapid scan FTIR. For reactions initiated in solid pH2 at 4.3 K we observe little to no reaction; however, if we then slowly reduce the temperature of the solid we observe an abrupt onset to the H + N2O → cis-HNNO reaction at temperatures below 2.4 K. This abrupt change in the reaction kinetics is fully reversible as the temperature of the solid pH2 is repeatedly cycled. We speculate that the observed non-Arrhenius behavior (negative activation energy) is related to the stability of the pre-reactive complex between the H-atom and 15N218O reagents.

  6. Synthesis of core-shell TiO2@g-C3N4 hollow microspheres for efficient photocatalytic degradation of rhodamine B under visible light

    Science.gov (United States)

    Ma, Lina; Wang, Guohong; Jiang, Chuanjia; Bao, Helin; Xu, Qingchuan

    2018-02-01

    Core-shell composites with titanium dioxide (TiO2) hollow microsphere as the core and graphitic carbon nitride (g-C3N4) as the shell were fabricated via a two-step self-assembly procedure with the assistance of ultrasonic dispersion. The as-prepared composite samples with different g-C3N4 contents (0-20%) were thoroughly characterized and the photocatalytic activity was evaluated by the photocatalytic degradation of Rhodamine B (RhB) in aqueous solution under visible light. A g-C3N4 layer of approximately 80 nm was successfully coated on the surface of TiO2 hollow microspheres with a diameter of 1-3 μm, forming a heterostructure with close interfacial contact. The TiO2@g-C3N4 composite exhibited significantly enhanced photocatalytic activity as compared with pure TiO2 hollow microspheres. At an optimum weight ratio of g-C3N4 to TiO2 (15 wt.%), the photocatalytic activity of the composite sample was almost 3 times higher than that of reference TiO2 hollow microspheres. Moreover, the results of recycling test indicated that the TiO2@g-C3N4 composite had excellent stability. A possible photocatalytic reaction mechanism of TiO2@g-C3N4 composite was proposed, in which superoxide radical anions played the major role in the oxidation of RhB, and the separation of photogenerated charge carriers across the heterostructure interface inhibited electron-hole recombination, thus enhancing the photocatalytic activity.

  7. Refined OPLS all-atom force field parameters for n-pentadecane, methyl acetate, and dimethyl phosphate.

    Science.gov (United States)

    Murzyn, Krzysztof; Bratek, Maciej; Pasenkiewicz-Gierula, Marta

    2013-12-27

    OPLS All-Atom (OPLS/AA) is a generic all-atom force field which was fine-tuned to accurately reproduce condensed phase properties of organic liquids. Its application in modeling of lipid membranes is, however, limited mainly due to the inability to correctly describe phase behavior and organization of the hydrophobic core of the model lipid bilayers. Here we report new OPLS/AA parameters for n-pentadecane, methyl acetate, and dimethyl phosphate anion. For the new force field parameters, we show very good agreement between calculated and numerous reference data, including liquid density, enthalpy of vaporization, free energy of hydration, and selected transport properties. The new OPLS/AA parameters have been used in successful submicrosecond MD simulations of bilayers made of bacterial glycolipids whose results will be published elsewhere shortly.

  8. Fullerene-Based Macro-Heterocycle Prepared through Selective Incorporation of Three N and Two O Atoms into C60.

    Science.gov (United States)

    Li, Yanbang; Zhang, Gaihong; Wang, Dian; Xu, Beidi; Xu, Dan; Lou, Ning; Gan, Liangbing

    2016-11-14

    A 14-membered heterocycle is created on the C 60 cage skeleton through a multistep procedure. Key steps involve repeated PCl 5 -induced hydroxylamino N-O bond cleavage leading to insertion of nitrogen atoms, and also piperidine-induced peroxo O-O bond cleavage leading to insertion of oxygen atoms. The hetero atoms form one pyrrole, two pyran, and one diazepine rings in conjunction with the C 60 skeleton carbon atoms. The fullerene-based macrocycle showed unique reactivities towards fluoride ion and copper salts. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Reaction rate coefficients of OH radicals and Cl atoms with ethyl propanoate, n-propyl propanoate, methyl 2-methylpropanoate, and ethyl n-butanoate.

    Science.gov (United States)

    Cometto, Pablo M; Daële, Véronique; Idir, Mahmoud; Lane, Silvia I; Mellouki, Abdelwahid

    2009-10-08

    Kinetics of the reactions of OH radicals and Cl atoms with four saturated esters have been investigated. Rate coefficients for the gas-phase reactions of OH radicals with ethyl propanoate (k(1)), n-propyl propanoate (k(2)), methyl 2-methylpropanoate (k(3)), and ethyl n-butanoate (k(4)) were measured using a conventional relative rate method and the pulsed laser photolysis-laser induced fluorescence technique. At (296 +/- 2) K, the rate coefficients obtained by the two methods were in good agreement. Significant curvatures in the Arrhenius plots have been observed in the temperature range 243-372 K for k(1), k(3), and k(4). The rate coefficients for the reactions of the four esters with Cl atoms were determined using the relative rate method at (296 +/- 2) K and atmospheric pressure. The values obtained are presented, compared with the literature values when they exist, and discussed. Reactivity trends and atmospheric implications for these esters are also presented.

  10. Pseudo-atomic orbitals as basis sets for the O(N) DFT code CONQUEST

    Energy Technology Data Exchange (ETDEWEB)

    Torralba, A S; Brazdova, V; Gillan, M J; Bowler, D R [Materials Simulation Laboratory, UCL, Gower Street, London WC1E 6BT (United Kingdom); Todorovic, M; Miyazaki, T [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Choudhury, R [London Centre for Nanotechnology, UCL, 17-19 Gordon Street, London WC1H 0AH (United Kingdom)], E-mail: david.bowler@ucl.ac.uk

    2008-07-23

    Various aspects of the implementation of pseudo-atomic orbitals (PAOs) as basis functions for the linear scaling CONQUEST code are presented. Preliminary results for the assignment of a large set of PAOs to a smaller space of support functions are encouraging, and an important related proof on the necessary symmetry of the support functions is shown. Details of the generation and integration schemes for the PAOs are also given.

  11. Indium clustering in a-plane InGaN quantum wells as evidenced by atom probe tomography

    Energy Technology Data Exchange (ETDEWEB)

    Tang, Fengzai; Zhu, Tongtong; Oehler, Fabrice; Fu, Wai Yuen; Griffiths, James T.; Massabuau, Fabien C.-P.; Kappers, Menno J.; Oliver, Rachel A., E-mail: rao28@cam.ac.uk [Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); Martin, Tomas L.; Bagot, Paul A. J.; Moody, Michael P., E-mail: michael.moody@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom)

    2015-02-16

    Atom probe tomography (APT) has been used to characterize the distribution of In atoms within non-polar a-plane InGaN quantum wells (QWs) grown on a GaN pseudo-substrate produced using epitaxial lateral overgrowth. Application of the focused ion beam microscope enabled APT needles to be prepared from the low defect density regions of the grown sample. A complementary analysis was also undertaken on QWs having comparable In contents grown on polar c-plane sample pseudo-substrates. Both frequency distribution and modified nearest neighbor analyses indicate a statistically non-randomized In distribution in the a-plane QWs, but a random distribution in the c-plane QWs. This work not only provides insights into the structure of non-polar a-plane QWs but also shows that APT is capable of detecting as-grown nanoscale clustering in InGaN and thus validates the reliability of earlier APT analyses of the In distribution in c-plane InGaN QWs which show no such clustering.

  12. A new model based on group theory for correlating vibrational displacement vectors of attached atoms and shapes of the central atom otbitals in ABn(n=2-5 molecules

    Directory of Open Access Journals (Sweden)

    R. Tayebee

    2003-12-01

    Full Text Available   Stretching and bending normal vibrations of AB2(C2v, AB3(D3h, AB4(D4h, and AB5(D3h molecules are described by correlating the vibrational displacement vectors of the attached atoms with the standard representations of s, p and d atomic orbitals of the central atom in ABn(n=2-5 molecules. It is found that stretching and bending normal vibrations of simple molecules accord with probability density of hybrid orbitals of the central atom. So, stretching and bending normal vibrations can be determined based on the irreducible representations of each vibration, and symbols for the representations which are suggested by Muliken.

  13. Charge radii of neon isotopes across the sd neutron shell

    CERN Document Server

    Marinova, K; Kowalska, M; Kotrotsios, G; Kloos, S; Neugart, R; Blaum, K; Simon, H; Keim, M; Lievens, P; Wilbert, S; Kappertz, S

    2011-01-01

    We report on the changes in mean square charge radii of unstable neon nuclei relative to the stable (20)Ne, based on the measurement of optical isotope shifts. The studies were carried out using collinear laser spectroscopy on a fast beam of neutral neon atoms. High sensitivity on short-lived isotopes was achieved thanks to nonoptical detection based on optical pumping and state-selective collisional ionization, which was complemented by an accurate determination of the beam kinetic energy. The new results provide information on the structural changes in the sequence of neon isotopes all across the neutron sd shell, ranging from the proton drip line nucleus and halo candidate (17)Ne up to the neutron-rich (28)Ne in the vicinity of the ``island of inversion.{''} Within this range the charge radius is smallest for (24)Ne with N = 14 corresponding to the closure of the neutron d(5/2) shell, while it increases toward both neutron shell closures, N = 8 and N = 20. The general trend of the charge radii correlates w...

  14. Shell structure of potassium isotopes deduced from their magnetic moments

    CERN Document Server

    Papuga, J; Kreim, K; Barbieri, C; Blaum, K; De Rydt, M; Duguet, T; Garcia Ruiz, R F; Heylen, H; Kowalska, M; Neugart, R; Neyens, G; Nortershauser, W; Rajabali, M M; Sanchez, R; Smirnova, N; Soma, V; Yordanov, D T

    2014-01-01

    $\\textbf{Background:}$ Ground-state spins and magnetic moments are sensitive to the nuclear wave function, thus they are powerful probes to study the nuclear structure of isotopes far from stability. \\\\ \\\\ $\\textbf{Purpose:}$ Extend our knowledge about the evolution of the $1/2^+$ and $3/2^+$ states for K isotopes beyond the $N = 28$ shell gap. \\\\ \\\\ $\\textbf{Method:}$ High-resolution collinear laser spectroscopy on bunched atomic beams. \\\\ \\\\ $\\textbf{Results:}$ From measured hyperfine structure spectra of K isotopes, nuclear spins and magnetic moments of the ground states were obtained for isotopes from $N = 19$ up to $N = 32$. In order to draw conclusions about the composition of the wave functions and the occupation of the levels, the experimental data were compared to shell-model calculations using SDPF-NR and SDPF-U effective interactions. In addition, a detailed discussion about the evolution of the gap between proton $1d_{3/2}$ and $2s_{1/2}$ in the shell model and $\\textit{ab initio}$ framework is al...

  15. Gömülmüs Atom Potansiyeli Kullanarak CuNi Alasımının Moleküler Dinamik Simulasyonu

    Directory of Open Access Journals (Sweden)

    Eşe Ergün AKPINAR

    2009-04-01

    Full Text Available Bu çalısmada, CuNi alasımının moleküler dinamik simulasyonu, Sutton-Chen (SC potansiyeli kullanılarak incelendi. Bu potansiyel Cu, Ni ve CuNi in deneysel bilgilerinin fonksiyon parametrelerine fit edilmesiyle elde edildi. CuNi alasımının kristalizasyon sürecini atomik olarak tanımlamak için, gömülmüs atom yöntemini esas alan sabit basınç, sabit sıcaklık (NPT moleküler dinamik simulasyonu uygulandı. Sıvı fazda iken 4x1011 K/s sogutma hızında sogutulan CuNi alasımının yapısı ve kristallesme olusum yetenegi radyal dagılım fonksiyonuyla incelendi. Simulasyon, üç temel dogrultu boyunca periyodik sınır sartlarını saglayan kübik bir hücrede 1024 atom içeren sistemle gerçeklestirildi. Hareket denklemleri Verlet algoritması kullanılarak sayısal olarak çözüldü. Sogutma deneyi için sıvı hal baslangıcı, katının sıvı sıcaklıgına ısıtılmasıyla elde edildi. Sistem 1300-1550K sıvılasma bölgesi üzerindeki sıcaklıkta eritildi ve homojenize edildi ve hızla oda sıcaklıgına sogutuldu.

  16. Measurement of OH, NO, O and N atoms in helium plasma jet for ROS/RNS controlled biomedical processes

    Science.gov (United States)

    Yonemori, Seiya; Kamakura, Taku; Ono, Ryo

    2014-10-01

    Atmospheric-pressure plasmas are of emerging interest for new plasma applications such as cancer treatment, cell activation and sterilization. In those biomedical processes, reactive oxygen/nitrogen species (ROS/RNS) are said that they play significant role. It is though that active species give oxidative stress and induce biomedical reactions. In this study, we measured OH, NO, O and N atoms using laser induced fluorescence (LIF) measurement and found that voltage polarity affect particular ROS. When negative high voltage was applied to the plasma jet, O atom density was tripled compared to the case of positive applied voltage. In that case, O atom density was around 3 × 1015 [cm-3] at maximum. In contrast, OH and NO density did not change their density depending on the polarity of applied voltage, measured as in order of 1013 and 1014 [cm-3] at maximum, respectively. From ICCD imaging measurement, it could be seen that negative high voltage enhanced secondary emission in plasma bullet propagation and it can affect the effective production of particular ROS. Since ROS/RNS dose can be a quantitative criterion to control plasma biomedical application, those measurement results is able to be applied for in vivo and in vitro plasma biomedical experiments. This study is supported by the Grant-in-Aid for Science Research by the Ministry of Education, Culture, Sport, Science and Technology.

  17. Hydrogen Atom Transfer (HAT) Processes Promoted by the Quinolinimide-N-oxyl Radical. A Kinetic and Theoretical Study.

    Science.gov (United States)

    DiLabio, Gino A; Franchi, Paola; Lanzalunga, Osvaldo; Lapi, Andrea; Lucarini, Fiorella; Lucarini, Marco; Mazzonna, Marco; Prasad, Viki Kumar; Ticconi, Barbara

    2017-06-16

    A kinetic study of the hydrogen atom transfer (HAT) reactions from a series of organic compounds to the quinolinimide-N-oxyl radical (QINO) was performed in CH3CN. The HAT rate constants are significantly higher than those observed with the phthalimide-N-oxyl radical (PINO) as a result of enthalpic and polar effects due to the presence of the N-heteroaromatic ring in QINO. The relevance of polar effects is supported by theoretical calculations conducted for the reactions of the two N-oxyl radicals with toluene, which indicate that the HAT process is characterized by a significant degree of charge transfer permitted by the π-stacking that occurs between the toluene and the N-oxyl aromatic rings in the transition state structures. An increase in the HAT reactivity of QINO was observed in the presence of 0.15 M HClO4 and 0.15 M Mg(ClO4)2 due to the protonation or complexation with the Lewis acid of the pyridine nitrogen that leads to a further decrease in the electron density in the N-oxyl radical. These results fully support the use of N-hydroxyquinolinimide as a convenient substitute for N-hydroxyphthalimide in the catalytic aerobic oxidations of aliphatic hydrocarbons characterized by relatively high C-H bond dissociation energies.

  18. Morphological changes of InGaN epilayers during annealing assessed by spectral analysis of atomic force microscopy images

    Science.gov (United States)

    Oliver, Rachel A.; Sumner, Joy; Kappers, Menno J.; Humphreys, Colin J.

    2009-09-01

    During annealing, the morphologies of thin InGaN epilayers have been observed to change from a terraced structure to a network of interlinking InGaN strips separated by troughs. This change in morphology may contribute to high efficiencies in some GaN-based light emitting diodes (LEDs) if the InGaN is exposed to elevated temperatures without a protective GaN capping layer. Here, we investigate the changes in morphology which occur when InGaN epilayers are annealed at their growth temperature under NH3, N2, and a small H2 flux. We observe that while the layers initially roughen, more extended anneals lead to the surface becoming smooth and terraced once again. Power spectral density analysis of atomic force microscopy data is used to show that the dominant mechanism for roughening is loss of material from pre-existing pits, while the dominant smoothening mechanism is surface diffusion. This mechanistic analysis may be relevant to the growth of InGaN quantum wells in LED structures.

  19. X-ray Signature of Charge Exchange in the Spectra of L-shell Iron Ions

    Energy Technology Data Exchange (ETDEWEB)

    Beiersdorfer, P; Schweikhard, L; Liebisch, P; Brown, G V

    2007-01-05

    The X-ray signature of charge exchange between highly charged L-shell iron ions and neutral gas atoms was studied in the laboratory in order to assess its diagnostic utility. Significant differences with spectra formed by electron-impact excitation were observed. In particular, a strong enhancement was found of the emission corresponding to n {le} 4 {yields} n = 2 transitions relative to the n = 3 {yields} n = 2 emission. This enhancement was detectable even with relatively low-resolution X-ray instrumentation (E/{Delta}E {approx} 10) and may enable future identification of charge exchange as a line-formation mechanism in astrophysical spectra.

  20. Atomic Layer Deposition of Ruthenium with TiN Interface for Sub-10 nm Advanced Interconnects beyond Copper

    DEFF Research Database (Denmark)

    Wen, Liang Gong; Roussel, Philippe; Pedreira, Olalla Varela

    2016-01-01

    Atomic layer deposition of ruthenium is studied as a barrierless metallization solution for future sub-10 nm interconnect technology nodes. We demonstrate the void-free filling in sub-10 nm wide single damascene lines using an ALD process in combination with 2.5 angstrom of ALD TiN interface and po......'stdeposition annealing. At such small dimensions, the ruthenium effective resistance depends less on the scaling than that of Cu/barrier systems. Ruthenium effective resistance potentially crosses the Cu curve at 14 and 10 nm according to the semiempirical interconnect resitance model for advanced technology nodes...

  1. The Correlation of the N{sub A} Measurements by Counting {sup 28}Si Atoms

    Energy Technology Data Exchange (ETDEWEB)

    Mana, G., E-mail: g.mana@inrim.it; Massa, E.; Sasso, C. P. [INRIM—Istituto Nazionale di Ricerca Metrologica, Str. delle Cacce 91, 10135 Torino (Italy); Stock, M. [BIPM—Bureau International des Poids et Mesures BIPM, Pavillon de Breteuil, 92312 Sèvres Cedex (France); Fujii, K.; Kuramoto, N.; Mizushima, S.; Narukawa, T. [NMIJ—National Metrology Institute of Japan, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8563 (Japan); Borys, M.; Busch, I.; Nicolaus, A.; Pramann, A. [PTB—Physikalisch-Technische Bundesanstalt, Bundesallee 100, 38116 Braunschweig (Germany)

    2015-09-15

    An additional value of the Avogadro constant was obtained by counting the atoms in isotopically enriched Si spheres. With respect to the previous determination, the spheres were etched and repolished to eliminate metal contaminations and to improve the roundness. In addition, all the input quantities—molar mass, lattice parameter, mass, and volume—were remeasured aiming at a smaller uncertainty. In order to make the values given in Andreas et al. [Metrologia 48, S1 (2011)] and Azuma et al. [Metrologia 52, 360 (2015)] usable for a least squares adjustment, we report about the estimate of their correlation.

  2. Acrylamide Homopolymers and Acrylamide-N-Isopropylacrylamide Block Copolymers by Atomic Transfer Radical Polymerization in Water

    OpenAIRE

    Wever, D. A. Z.; Raffa, P.; Picchioni, F.; Broekhuis, A.A.

    2012-01-01

    Atomic transfer radical polymerization (ATRP) of acrylamide has been accomplished in aqueous media at room temperature. By using methyl 2-chloropropionate (MeClPr) as the initiator and tris[2-(dimethylamino)ethyl]-amine (Me6TREN)/copper halogenide (CuX) as the catalyst system, different linear polyacrylamides with apparent molecular weights up to >150 000 g/mol were synthesized with dispersities as low as 1.39. The molecular weights agreed well with the theoretical ones at relatively low-medi...

  3. Visualization of drug-nucleic acid interactions at atomic resolution. X. Structure of a N,N-dimethylproflavine: deoxycytidylyl(3'-5')deoxyguanosine crystalline complex

    Energy Technology Data Exchange (ETDEWEB)

    Sakore, T.D.; Bhandary, K.K.; Sobell, H.M.

    1984-01-01

    N,N-dimethylproflavine forms a crystalline complex with deoxycytidylyl(3'-5')deoxyguanosine (d-CpG), space group P2/sub 1/,2/sub 1/2, with a = 21.37 A, b = 34.05 A, c = 13.63 A. The structure has been solved to atomic resolution and refined by Fourier and least squares methods to a residual of 0.18 of 2032 observed reflections. The structure consists of two N,N-dimethylproflavine molecules, two deoxycytidylyl (3'-5')deoxyguanosine molecules and 16 water molecules, a total of 128 nonhydrogen atoms. As with other structures of this type, N,N-dimethylproflavine molecules intercalate between base-paired d-CpG dimers. In addition, dimethylproflavine molecules stack on either side of the intercalated duplex, being related by a unit cell translation along the c axis. Both sugar-phosphate chains demonstrate the mixed sugar puckering geometry: C3' endo (3'-5') C2' endo. The same intercalative geometry has been seen in two other complexes containing N,N-dimethylproflavine and iodoCpG, described in the accompanying paper. Taken together, these studies indicate a common intercalative geometry present in both RNA- and DNA- model systems. Again, N,N-dimethylproflavine behaves as a simple intercalator, intercalating asymmetrically between guanine-cytosine base-pairs. The free amino- group on the intercalated dimethylproflavine molecule does not hydrogen bond directly to the phosphate oxygen. Other aspects of the structure will be presented. 4 references, 5 figures, 2 tables.

  4. In situ growth of Ag3PO4 on N-BiPO4 nanorod: A core-shell heterostructure for high performance photocatalyst.

    Science.gov (United States)

    Li, Junqi; Yuan, Huan; Zhu, Zhenfeng

    2016-01-15

    Enhanced light absorption and effective separation of photogenerated charges are the main strategies to improve the performance of photocatalytic materials. In this study, Ag3PO4/N-doped BiPO4 (N-BiPO4) core-shell structure photocatalyst was synthesized by a simple in-situ growth strategy in an organic solvent. The separation of photogenerated electron-hole was enhanced by the doping of nitrogen, because of the emergence of N-O impurity energy levels. The increased photocatalytic activity of Ag3PO4/N-BiPO4 could be attributed to the in-situ formation of chemical bonds between Ag3PO4 and N-BiPO4, which accelerate the separation of electron-hole pairs. The photocatalytic performance of the as-synthesized Ag3PO4/N-BiPO4 was evaluated by monitoring the decolorization of methyl orange under sunlight irradiation. Ag3PO4/N-BiPO4 was capable of bleaching 95% MO within 40min. Copyright © 2015 Elsevier Inc. All rights reserved.

  5. Production cross sections of elements near the N=126 shell in Ca48-induced reactions with Gd154,Tb159,Dy162, and Ho165 targets

    Science.gov (United States)

    Mayorov, D. A.; Werke, T. A.; Alfonso, M. C.; Bennett, M. E.; Folden, C. M.

    2014-08-01

    Excitation functions for shell-stabilized evaporation residues produced in Ca48-induced reactions with Gd154,Tb159,Dy162, and Ho165 targets have been measured in experiments performed at the Cyclotron Institute at Texas A&M University. The examined energy range predominantly covers the 3n and 4n evaporation channels with higher cross sections measured for the 4n products. The σ4n are nearly invariant within experimental uncertainty in reactions with Tb159,Dy162, and Ho165 with the maxima at 12.6 ± 1.9, 12.6 ± 1.7, and 9.4 ± 1.3 mb, respectively. For the reaction with Gd154, the maximum is slightly lower at 4.0 ± 0.6 mb. A simple model to describe the measured production cross sections was employed. Capture was estimated by using the "diffused barrier formula" from the "fusion by diffusion" model proposed by Świątecki et al. [Phys. Rev. C 71, 014602 (2005)]., 10.1103/PhysRevC.71.014602 The fusion probability was estimated by using a phenomenological expression presented by Siwek-Wilczyńska et al. [Int. J. Mod. Phys. E 17, 12 (2008)]., 10.1142/S0218301308009501 The survival probability was calculated according to the formula of Vandenbosch and Huizenga [Nuclear Fission (Academic, New York, 1973)], derived from transition-state theory. The best agreement is reached between calculation and experiment upon inclusion of collective effects in the calculation of the survival probability, shown previously to be important for production of weakly deformed nuclei. This, in turn, challenges the expectation that strong shell stabilization benefits the production cross section. The present data are compared with earlier studies on production of neutron-deficient nuclei in Ca-induced reactions with lanthanide targets.

  6. 3D Atom Probe Tomography Analysis of Neutron-irradiated SA508 Gr.4N

    Energy Technology Data Exchange (ETDEWEB)

    Lim, Sang Yeob; Kwon, Jun Hyun; Lee, Gyeong Geun; Jin, Hyung Ha; Chang, Kun Ok [KAERI, Daejeon (Korea, Republic of); Shin, Chan Sun [Myongi University, Yongin (Korea, Republic of)

    2016-05-15

    The embrittlement is induced by the formation of radiation defects (so-called 'matrix damage') and/or of radiation induced precipitates. Cu-rich precipitates (CRP) have been observed in Cu-bearing RPV steels. In case of Cu free, high Mn (and Ni and Si) containing RPV steels such as SA508 Gr.3 (1.4Mn-0.9Ni-0.15Cr-0.2C-0.002P in wt.%), Mn-Ni-rich precipitates (MNP) are reported to form at low temperature and high neutron fluence. These MNPs are believed to have long incubation time. But once nucleated, they rapidly grow to large volume fractions and mechanical properties deteriorate abruptly, e.g., increase in ductile-to-brittle transition temperature. For such reasons, MNPs are denoted as late blooming phases (LBP). MNPs are often observed in RPV steels with Mn content of -1 wt.% and similar or lower Ni content. Atom probe experiments of neutron irradiated SA508 Gr.3, which has a composition of, showed Mn, Ni, Si, and P atoms are formed MNPs and segregated at dislocation lines.

  7. Atomic-layer chemical-vapor-deposition of TiN thin films on Si(100) and Si(111)

    CERN Document Server

    Kim, Y S; Kim, Y D; Kim, W M

    2000-01-01

    An atomic-layer chemical vapor deposition (AL-CVD) system was used to deposit TiN thin films on Si(100) and Si(111) substrates by cyclic exposures of TiCl sub 4 and NH sub 3. The growth rate was measured by using the number of deposition cycles, and the physical properties were compared with those of TiN films grown by using conventional deposition methods. To investigate the growth mechanism, we suggest a growth model for TiN n order to calculate the growth rate per cycle with a Cerius program. The results of the calculation with the model were compared with the experimental values for the TiN film deposited using the AL-CVD method. The stoichiometry of the TiN film was examined by using Auger electron spectroscopy, and the chlorine and the oxygen impurities were examined. The x-ray diffraction and the transmission electron microscopy results for the TiN film exhibited a strong (200) peak and a randomly oriented columnar microstructure. The electrical resistivity was found to decrease with increasing deposit...

  8. High-temperature catalytic reforming of n-hexane over supported and core-shell Pt nanoparticle catalysts: role of oxide-metal interface and thermal stability.

    Science.gov (United States)

    An, Kwangjin; Zhang, Qiao; Alayoglu, Selim; Musselwhite, Nathan; Shin, Jae-Youn; Somorjai, Gabor A

    2014-08-13

    Designing catalysts with high thermal stability and resistance to deactivation while simultaneously maintaining their catalytic activity and selectivity is of key importance in high-temperature reforming reactions. We prepared Pt nanoparticle catalysts supported on either mesoporous SiO2 or TiO2. Sandwich-type Pt core@shell catalysts (SiO2@Pt@SiO2 and SiO2@Pt@TiO2) were also synthesized from Pt nanoparticles deposited on SiO2 spheres, which were encapsulated by either mesoporous SiO2 or TiO2 shells. n-Hexane reforming was carried out over these four catalysts at 240-500 °C with a hexane/H2 ratio of 1:5 to investigate thermal stability and the role of the support. For the production of high-octane gasoline, branched C6 isomers are more highly desired than other cyclic, aromatic, and cracking products. Over Pt/TiO2 catalyst, production of 2-methylpentane and 3-methylpentane via isomerization was increased selectively up to 420 °C by charge transfer at Pt-TiO2 interfaces, as compared to Pt/SiO2. When thermal stability was compared between supported catalysts and sandwich-type core@shell catalysts, the Pt/SiO2 catalyst suffered sintering above 400 °C, whereas the SiO2@Pt@SiO2 catalyst preserved the Pt nanoparticle size and shape up to 500 °C. The SiO2@Pt@TiO2 catalyst led to Pt nanoparticle sintering due to incomplete protection of the TiO2 shells during the reaction at 500 °C. Interestingly, over the Pt/TiO2 catalyst, the average size of Pt nanoparticles was maintained even after 500 °C without sintering. In situ ambient pressure X-ray photoelectron spectroscopy demonstrated that the Pt/TiO2 catalyst did not exhibit TiO2 overgrowth on the Pt surface or deactivation by Pt sintering up to 600 °C. The extraordinarily high stability of the Pt/TiO2 catalyst promoted high reaction rates (2.0 μmol · g(-1) · s(-1)), which was 8 times greater than other catalysts and high isomer selectivity (53.0% of C6 isomers at 440 °C). By the strong metal-support interaction

  9. One step growth of GaN/SiO2 core/shell nanowire in vapor-liquid-solid route by chemical vapor deposition technique

    Science.gov (United States)

    Barick, B. K.; Yadav, Shivesh; Dhar, S.

    2017-11-01

    GaN/SiO2 core/shell nanowires are grown by cobalt phthalocyanine catalyst assisted vapor-liquid-solid route, in which Si wafer coated with a mixture of gallium and indium is used as the source for Ga and Si and ammonia is used as the precursor for nitrogen and hydrogen. Gallium in the presence of indium and hydrogen, which results from the dissociation of ammonia, forms Si-Ga-In alloy at the growth temperature ∼910 °C. This alloy acts as the source of Si, Ga and In. A detailed study using a variety of characterization tools reveals that these wires, which are several tens of micron long, has a diameter distribution of the core ranging from 20 to 50 nm, while the thickness of the amorphous SiO2 shell layer is about 10 nm. These wires grow along [ 1 0 1 bar 0 ] direction. It has also been observed that the average diameter of these wires decreases, while their density increases as the gallium proportion in the Ga-In mixture is increased.

  10. Facile synthesis of zwitterionic polymer-coated core-shell magnetic nanoparticles for highly specific capture of N-linked glycopeptides

    Science.gov (United States)

    Chen, Yajing; Xiong, Zhichao; Zhang, Lingyi; Zhao, Jiaying; Zhang, Quanqing; Peng, Li; Zhang, Weibing; Ye, Mingliang; Zou, Hanfa

    2015-02-01

    Highly selective and efficient capture of glycosylated proteins and peptides from complex biological samples is of profound significance for the discovery of disease biomarkers in biological systems. Recently, hydrophilic interaction liquid chromatography (HILIC)-based functional materials have been extensively utilized for glycopeptide enrichment. However, the low amount of immobilized hydrophilic groups on the affinity material has limited its specificity, detection sensitivity and binding capacity in the capture of glycopeptides. Herein, a novel affinity material was synthesized to improve the binding capacity and detection sensitivity for glycopeptides by coating a poly(2-(methacryloyloxy)ethyl)-dimethyl-(3-sulfopropyl) ammonium hydroxide (PMSA) shell onto Fe3O4@SiO2 nanoparticles, taking advantage of reflux-precipitation polymerization for the first time (denoted as Fe3O4@SiO2@PMSA). The thick polymer shell endows the nanoparticles with excellent hydrophilic property and several functional groups on the polymer chains. The resulting Fe3O4@SiO2@PMSA demonstrated an outstanding ability for glycopeptide enrichment with high selectivity, extremely high detection sensitivity (0.1 fmol), large binding capacity (100 mg g-1), high enrichment recovery (above 73.6%) and rapid magnetic separation. Furthermore, in the analysis of real complicated biological samples, 905 unique N-glycosylation sites from 458 N-glycosylated proteins were reliably identified in three replicate analyses of a 65 μg protein sample extracted from mouse liver, showing the great potential of Fe3O4@SiO2@PMSA in the detection and identification of low-abundance N-linked glycopeptides in biological samples.Highly selective and efficient capture of glycosylated proteins and peptides from complex biological samples is of profound significance for the discovery of disease biomarkers in biological systems. Recently, hydrophilic interaction liquid chromatography (HILIC)-based functional materials have

  11. Reactions of substituted benzene anions with N and O atoms: Chemistry in Titan’s upper atmosphere and the interstellar medium

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhe-Chen; Bierbaum, Veronica M. [Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309 (United States)

    2016-06-07

    The likely existence of aromatic anions in many important extraterrestrial environments, from the atmosphere of Titan to the interstellar medium (ISM), is attracting increasing attention. Nitrogen and oxygen atoms are also widely observed in the ISM and in the ionospheres of planets and moons. In the current work, we extend previous studies to explore the reactivity of prototypical aromatic anions (deprotonated toluene, aniline, and phenol) with N and O atoms both experimentally and computationally. The benzyl and anilinide anions both exhibit slow associative electron detachment (AED) processes with N atom, and moderate reactivity with O atom in which AED dominates but ionic products are also formed. The reactivity of phenoxide is dramatically different; there is no measurable reaction with N atom, and the moderate reactivity with O atom produces almost exclusively ionic products. The reaction mechanisms are studied theoretically by employing density functional theory calculations, and spin conversion is found to be critical for understanding some product distributions. This work provides insight into the rich gas-phase chemistry of aromatic ion-atom reactions and their relevance to ionospheric and interstellar chemistry.

  12. L-shell X-ray production cross sections of Ce, Nd, Sm, Eu, Gd, and Dy by impact of {sup 14}N{sup 2+} ions with energies between 7.0 MeV and 10.5 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Murillo, G.; Méndez, B.; López-Monroy, J. [Departamento de Aceleradores, Instituto Nacional de Investigaciones Nucleares, Carr. México-Toluca S/N, Ocoyoacac, Edo. Méx. 52750 (Mexico); Miranda, J., E-mail: miranda@fisica.unam.mx [Instituto de Física, Universidad Nacional Autónoma de México, A.P. 20-364, México, Cd. Mx. 01000 (Mexico); Villaseñor, P. [Departamento de Aceleradores, Instituto Nacional de Investigaciones Nucleares, Carr. México-Toluca S/N, Ocoyoacac, Edo. Méx. 52750 (Mexico)

    2016-09-15

    Highlights: • A new data set of L X-ray production cross sections by nitrogen ion impact is given. • The target elements have atomic numbers in the range 58–66 (lanthanoids). • A universal scaling as function of a reduced velocity variable is applied. • The eCPSSR model with EC and MI corrections gives very good results. - Abstract: L-shell X-ray production cross sections from the lanthanoid elements Ce, Nd, Sm, Eu, Gd, and Dy, induced by the impact of {sup 14}N{sup 2+} ions with energies in the interval 7.0 MeV to 10.5 MeV (0.50 MeV/μ to 0.75 MeV/μ), were measured and then compared with theoretical calculations obtained with the ECPSSR model with exact limits of integration (eCPSSR) and related corrections. These include the electron capture by the incoming ion and multiple ionizations of higher shells. Data from this work were contrasted with previously published L X-ray production cross sections for {sup 14}N{sup 2+} ion impact. As with other ions, a universal behavior is found when L{sub α} and L{sub γ} X-ray production cross sections are plotted as a function of reduced velocity parameters. The agreement with theoretical predictions was very good when the corrections were applied to the eCPSSR model.

  13. Blistering mechanisms of atomic-layer-deposited AlN and Al2O3 films

    Science.gov (United States)

    Broas, Mikael; Jiang, Hua; Graff, Andreas; Sajavaara, Timo; Vuorinen, Vesa; Paulasto-Kröckel, Mervi

    2017-10-01

    Blistering of protective, structural, and functional coatings is a reliability risk pestering films ranging from elemental to ceramic ones. The driving force behind blistering comes from either excess hydrogen at the film-substrate interface or stress-driven buckling. Contrary to the stress-driven mechanism, the hydrogen-initiated one is poorly understood. Recently, it was shown that in the bulk Al-Al2O3 system, the blistering is preceded by the formation of nano-sized cavities on the substrate. The stress- and hydrogen-driven mechanisms in atomic-layer-deposited (ALD) films are explored here. We clarify issues in the hydrogen-related mechanism via high-resolution microscopy and show that at least two distinct mechanisms can cause blistering in ALD films.

  14. Dancing with Energetic Nitrogen Atoms: Versatile N-Functionalization Strategies for N-Heterocyclic Frameworks in High Energy Density Materials.

    Science.gov (United States)

    Yin, Ping; Zhang, Qinghua; Shreeve, Jean'ne M

    2016-01-19

    Nitrogen-rich heterocycles represent a unique class of energetic frameworks featuring high heats of formation and high nitrogen content, which have generated considerable research interest in the field of high energy density materials (HEDMs). Although traditional C-functionalization methodology of aromatic hydrocarbons has been fully established, studies on N-functionalization strategies of nitrogen-containing heterocycles still have great potential to be exploited by virtue of forming diverse N-X bonds (X = C, N, O, B, halogen, etc.), which are capable of regulating energy performance and the stability of the resulting energetic compounds. In this sense, versatile N-functionalization of N-heterocyclic frameworks offers a flexible strategy to meet the requirements of developing new-generation HEDMs. In this Account, the role of strategic N-functionalization in designing new energetic frameworks, including the formation of N-C, N-N, N-O, N-B and N-halogen bonds, is emphasized. In the family of N-functionalized HEDMs, energetic derivatives, by virtue of forming N-C bonds, are the most widely used type due to the good nucleophilic capacity of most heterocyclic backbones. Although introduction of carbon tends to decrease energetic performance, significant improvement in material sensitivity makes this strategy attractive for safety concerns. More importantly, most "explosophores" can be readily introduced into the N-C linkage, thus providing a promising route to various HEDMs. Formation of additional N-N bonds typically gives rise to higher heats of formation, implying the potential enhancement in detonation performance. In many cases, the increased hydrogen bonding interactions within N-N functionalized heterocycles also improve thermal stability accordingly. Introduction of a single N,N'-azo bridge into several azole moieties leads to an extended nitrogen chain, demonstrating a new strategy for designing high-nitrogen compounds. The strategy of N-O functionalization

  15. N-linear algebraic maps for chemical structure codification: a suitable generalization for atom-pair approaches?

    Science.gov (United States)

    Garcia-Jacas, Cesar R; Marrero-Ponce, Yovani; Barigye, Stephen J; Valdes-Martini, Jose R; Rivera-Borroto, Oscar M; Olivero-Verbel, Jesus

    2014-01-01

    The present manuscript introduces, for the first time, a novel 3D-QSAR alignment free method (QuBiLS-MIDAS) based on tensor concepts through the use of the three-linear and four-linear algebraic forms as specific cases of n-linear maps. To this end, the k(th) three-tuple and four-tuple spatial-(dis)similarity matrices are defined, as tensors of order 3 and 4, respectively, to represent 3Dinformation among "three and four" atoms of the molecular structures. Several measures (multi-metrics) to establish (dis)-similarity relations among "three and four" atoms are discussed, as well as, normalization schemes proposed for the n-tuple spatial-(dis)similarity matrices based on the simple-stochastic and mutual probability algebraic transformations. To consider specific interactions among atoms, both for the global and local indices, n-tuple path and length cut-off constraints are introduced. This algebraic scaffold can also be seen as a generalization of the vector-matrix-vector multiplication procedure (which is a matrix representation of the traditional linear, quadratic and bilinear forms) for the calculation of molecular descriptors and is thus a new theoretical approach with a methodological contribution. A variability analysis based on Shannon's entropy reveals that the best distributions are achieved with the ternary and quaternary measures corresponding to the bond and dihedral angles. In addition, the proposed indices have superior entropy behavior than the descriptors calculated by other programs used in chemo-informatics studies, such as, DRAGON, PADEL, Mold2, and so on. A principal component analysis shows that the novel 3D n-tuple indices codify the same information captured by the DRAGON 3D-indices, as well as, information not codified by the latter. A QSAR study to obtain deeper criteria on the contribution of the novel molecular parameters was performed for the binding affinity to the corticosteroid-binding globulin, using Cramer's steroid database. The

  16. Au/n-InP Schottky diodes using an Al2O3 interfacial layer grown by atomic layer deposition

    Science.gov (United States)

    Kim, Hogyoung; Kim, Min Soo; Yoon, Seung Yu; Choi, Byung Joon

    2017-02-01

    We investigated the effect of an Al2O3 interfacial layer grown by atomic layer deposition on the electrical properties of Au Schottky contacts to n-type InP. Considering barrier inhomogeneity, modified Richardson plots yielded a Richardson constant of 8.4 and 7.5 Acm-2K-2, respectively, for the sample with and without the Al2O3 interlayer (theoretical value of 9.4 Acm-2K-2 for n-type InP). The dominant reverse current flow for the sample with an Al2O3 interlayer was found to be Poole-Frenkel emission. From capacitance-voltage measurements, it was observed that the capacitance for the sample without the Al2O3 interlayer was frequency dependent. Sputter-induced defects as well as structural defects were passivated effectively with an Al2O3 interlayer.

  17. Teaching Valence Shell Electron Pair Repulsion (VSEPR) Theory

    Science.gov (United States)

    Talbot, Christopher; Neo, Choo Tong

    2013-01-01

    This "Science Note" looks at the way that the shapes of simple molecules can be explained in terms of the number of electron pairs in the valence shell of the central atom. This theory is formally known as valence shell electron pair repulsion (VSEPR) theory. The article explains the preferred shape of chlorine trifluoride (ClF3),…

  18. g factor of the exotic N=21 isotope {sup 34}Al: probing the N=20 and N=28 shell gaps at the border of the 'island of inversion'

    Energy Technology Data Exchange (ETDEWEB)

    Himpe, P. [K.U. Leuven, Instituut voor Kern-en Stralingsfysica, B-3001 Leuven (Belgium); Neyens, G. [K.U. Leuven, Instituut voor Kern-en Stralingsfysica, B-3001 Leuven (Belgium)], E-mail: gerda.neyens@fys.kuleuven.be; Balabanski, D.L. [INRNE, Bulgarian Academy of Sciences, BG-1784 Sofia (Bulgaria); Belier, G.; Daugas, J.M. [CEA/DIF/DPTA/PN, BP 12, F-91680 Bruyeres le Chatel (France); Oliveira Santos, F. de [GANIL, BP 55027, F-14076 Caen Cedex 5 (France); Rydt, M. de; Flanagan, K.T. [K.U. Leuven, Instituut voor Kern-en Stralingsfysica, B-3001 Leuven (Belgium); Matea, I. [Centre d' Etudes Nucleaires de Bordeaux Gradignan-CENBG, F-33175 Gradignan (France); Morel, P. [CEA/DIF/DPTA/PN, BP 12, F-91680 Bruyeres le Chatel (France); Penionzhkevich, Yu.E. [Joint Institute for Nuclear Research, FLNR, Dubna 141980, Moscow Region (Russian Federation); Perrot, L. [GANIL, BP 55027, F-14076 Caen Cedex 5 (France); Smirnova, N.A. [Universiteit Gent, Vakgroep Subatomaire en Stralingsfysica, B-9000 Gent (Belgium); Stodel, C.; Thomas, J.C. [GANIL, BP 55027, F-14076 Caen Cedex 5 (France); Vermeulen, N.; Yordanov, D.T. [K.U. Leuven, Instituut voor Kern-en Stralingsfysica, B-3001 Leuven (Belgium); Utsuno, Y. [Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Otsuka, T. [Department of Physics and Center for Nuclear Study, University of Tokyo, Hongo, Tokyo 113-0033 (Japan); RIKEN, Hirosawa, Wako-shi, Saitama 351-0198 (Japan)

    2008-01-10

    For the first time the g factor of an isotope beyond N=20 near the 'island of inversion' has been measured. A {sup 34}Al radioactive beam was produced in a one-neutron pickup reaction on a {sup 36}S primary beam at 77.5 MeV/u, providing a large spin-polarization for application of the {beta}-Nuclear Magnetic Resonance ({beta}-NMR) method. The measured g factor of {sup 34}Al, |g|=0.539(2), combined with results from earlier {beta}-decay studies, allows to firmly assign a ground state spin/parity 4{sup -}. Comparison to large scale shell model calculations reveals that a dominant amount of intruder components is needed in the {sup 34}Al wave function to account for the observed large magnetic moment {mu}=(+)2.156(16){mu}{sub N}. This reveals Z=13 to be a true 'transition number' between the normal Z=14 Si isotopes and the abnormal Z=12 Mg isotopes. The sensitivity of this odd-odd ground state dipole moment to the N=20, as well as the N=28 gap, reveals that both are significantly reduced, despite Z=13 being outside the conventional island of inversion.

  19. Polymer brushes on single-walled carbon nanotubes by atom transfer radical polymerization of n-butyl methacrylate.

    Science.gov (United States)

    Qin, Shuhui; Qin, Dongqi; Ford, Warren T; Resasco, Daniel E; Herrera, Jose E

    2004-01-14

    Polymer brushes with single-walled carbon nanotubes (SWNT) as backbones were synthesized by grafting n-butyl methacrylate (nBMA) from the ends and sidewalls of SWNT via atom transfer radical polymerization (ATRP). Carboxylic acid groups on SWNT were formed by nitric acid oxidation. The ATRP initiators were covalently attached to the SWNT by esterification of 2-hydroxyethyl 2'-bromopropionate with carboxylic acid groups. Methyl 2-bromopropionate (MBP) was added as free initiator during the brush preparation to control growth of the brushes and to monitor the polymerization kinetics. Size-exclusion chromatography (SEC) results show that the molecular weight of free poly(n-butyl methacrylate) (PnBMA) increased linearly with nBMA monomer conversion. PnBMA cleaved from the SWNT after high conversion had the same molecular weight as PnBMA produced in solution. Thermogravimetric analyses (TGA) show that the amount of PnBMA grown from the SWNT increased linearly with the molecular weight of the free PnBMA. The most highly PnBMA-functionalized SWNT dissolve in 1,2-dichlorobenzene, chloroform, and tetrahydrofuran, and solubility increases with the amount of PnBMA bound to SWNT. Near-infrared and Raman spectra indicate that the side walls of the SWNT were lightly functionalized by the nitric acid treatment and that the degree of functionalization of the SWNT did not change significantly during the formation of initiator or during the polymerization. Atomic force microscopy (AFM) images show contour lengths of the SWNT brushes on a mica surface from 200 nm to 2.0 microm and an average height of the backbone of 2-3 nm, indicating that the bundles of original SWNT were broken into individual tubes by functionalization and polymerization.

  20. Fabrication of WO3@g-C3N4 with core@shell nanostructure for enhanced photocatalytic degradation activity under visible light

    Science.gov (United States)

    Wang, Pu; Lu, Na; Su, Yan; Liu, Ning; Yu, Hongtao; Li, Jie; Wu, Yan

    2017-11-01

    WO3@g-C3N4 composite photocatalysts with core@shell nanostructure were fabricated via a self-assembly method. A large heterojunction interfacial area of WO3@g-C3N4 can be provided in the nanoscale heterostructure. Furthermore, the electron mobility of the composite photocatalysts was improved with the introduction of WO3. These are favorable for increasing the separation efficiency of photoinduced electron-hole pairs and improving the photocatalytic efficiency of WO3@g-C3N4, which was confirmed by the measurements of photocurrent and electrochemical impedance spectroscopy. The results of the photocatalytic degradation of Rh B showed dramatic photocatalytic performance of this composite photocatalyst. The kinetic constant of Rh B degradation on the WO3@g-C3N4 was 0.95 h-1, which was 7.7-fold and 3.5-fold higher than those on pure WO3 and g-C3N4 nanosheets, respectively. In addition, the stability of the composite photocatalyst was also satisfactory according to the result of the three-cycle experiment.

  1. Injection of atoms and molecules in a superfluid helium fountain: Cu and Cu2He(n) (n = 1, ..., ∞).

    Science.gov (United States)

    Vehmanen, Esa; Ghazarian, Vahan; Sams, Courtney; Khachatryan, Isahak; Eloranta, Jussi; Apkarian, V A

    2011-06-30

    We introduce an experimental platform designed around a thermomechanical helium fountain, which is aimed at investigating spectroscopy and dynamics of atoms and molecules in the superfluid and at its vapor interface. Laser ablation of copper, efficient cooling and transport of Cu and Cu(2) through helium vapor (1.5 K fountain interface. Cu(2) dimers mainly travel through the fountain unimpeded. However, the conditions of fountain flow and transport of molecules can be controlled to demonstrate injection and, in particular, injection into a nondivergent columnar fountain with a plug velocity of about 1 m/s. The experimental observables are interpreted with the aid of bosonic density functional theory calculations and ab initio interaction potentials.

  2. Piezo-Phototronic Effect Enhanced Flexible Solar Cells Based on n-ZnO/p-SnS Core-Shell Nanowire Array.

    Science.gov (United States)

    Zhu, Laipan; Wang, Longfei; Xue, Fei; Chen, Libo; Fu, Jianqiang; Feng, Xiaolong; Li, Tianfeng; Wang, Zhong Lin

    2017-01-01

    The piezo-phototronic effect is about the enhanced separation, transport, and recombination of the photogenerated carriers using the piezoelectric polarization charges present in piezoelectric-semiconductor materials. Here, it is presented that the piezo-phototronic effect can be effectively applied to improve the relative conversion efficiency of a flexible solar cell based on n-ZnO/p-SnS core-shell nanowire array for 37.3% under a moderate vertical pressure. The performance of the solar cell can be effectively enhanced by a gentle bending of the device, showing its potential for application in curly geometries. This study not only adds further understanding about the concept of increasing solar energy conversion efficiency via piezo-phototronic effect, but also demonstrates the great potential of piezo-phototronic effect in the application of large-scale, flexible, and lightweight nanowire array solar cells.

  3. Half-Life Systematics across the N =126 Shell Closure: Role of First-Forbidden Transitions in the β Decay of Heavy Neutron-Rich Nuclei

    Science.gov (United States)

    Morales, A. I.; Benlliure, J.; Kurtukián-Nieto, T.; Schmidt, K.-H.; Verma, S.; Regan, P. H.; Podolyák, Z.; Górska, M.; Pietri, S.; Kumar, R.; Casarejos, E.; Al-Dahan, N.; Algora, A.; Alkhomashi, N.; Álvarez-Pol, H.; Benzoni, G.; Blazhev, A.; Boutachkov, P.; Bruce, A. M.; Cáceres, L. S.; Cullen, I. J.; Denis Bacelar, A. M.; Doornenbal, P.; Estévez-Aguado, M. E.; Farrelly, G.; Fujita, Y.; Garnsworthy, A. B.; Gelletly, W.; Gerl, J.; Grebosz, J.; Hoischen, R.; Kojouharov, I.; Kurz, N.; Lalkovski, S.; Liu, Z.; Mihai, C.; Molina, F.; Mücher, D.; Rubio, B.; Shaffner, H.; Steer, S. J.; Tamii, A.; Tashenov, S.; Valiente-Dobón, J. J.; Walker, P. M.; Wollersheim, H. J.; Woods, P. J.

    2014-07-01

    This Letter reports on a systematic study of β-decay half-lives of neutron-rich nuclei around doubly magic Pb208. The lifetimes of the 126-neutron shell isotone Pt204 and the neighboring Ir200-202, Pt203, Au204 are presented together with other 19 half-lives measured during the "stopped beam" campaign of the rare isotope investigations at GSI collaboration. The results constrain the main nuclear theories used in calculations of r-process nucleosynthesis. Predictions based on a statistical macroscopic description of the first-forbidden β strength reveal significant deviations for most of the nuclei with N <126. In contrast, theories including a fully microscopic treatment of allowed and first-forbidden transitions reproduce more satisfactorily the trend in the measured half-lives for the nuclei in this region, where the r-process pathway passes through during β decay back to stability.

  4. Ab initio calculations on structural and electronic transport properties of six-atom GaN clusters

    Science.gov (United States)

    Song, Jinfeng; Long, Xiaojiang; Hao, Yanjun; Zhu, Jun; Guo, Yundong

    2017-11-01

    The structural and electronic transport properties of GaxNy (x + y = 6) clusters are investigated in the framework of density functional theory (DFT). To get their most stable structures, a strategy of particle swarm optimization (PSO) algorithm is adopted. It is found that the most stable cluster’s binding energy and HOMO-LUMO gap energy decrease with Ga atom’s number in cluster increasing. The electronic transport properties of the clusters connected with two Al(100) electrodes are obtained by a method of combining nonequilibrium Green’s function (NEGF) with DFT. Equilibrium conductance of all six-atom GaN cluster is low (less than 0.65 G0), and Ga2N4 has the highest one (0.635 G0). Significant negative differential resistance (NDR) phenomenon is observed in configurations with cluster Ga2N4, Ga3N3 and Ga5N1, and these three clusters have almost the same current value in voltage region from 0.8 V to 1.3 V.

  5. Ordering of p-n-alkylbenzoic acids (nBAC) having four, five, and six alkyl chain carbon atoms - a computational analysis

    Science.gov (United States)

    Ojha, D. P.

    2004-06-01

    A computational analysis of ordering in p-n-alkylbenzoic acids, having 4 (4BAC), 5 (5BAC), and 6 (6BAC) alkyl chain carbon atoms, has been carried out based on quantum mechanics and intermolecular forces. The evaluation of atomic charge and dipole moment at each atomic centre has been carried out through an all-valance electron (CNDO/2) method. The modified Rayleigh-Schrodinger perturbation theory along with multicentered-multipole expansion method has been employed to evaluate long-range intermolecular interactions while a 6-exp potential function has been assumed for short-range interactions. The total interaction energy values obtained through these computations were used to calculate the probability of each configuration at room temperature, nematic-isotropic transition temperature and above transition temperature using the Maxwell-Boltzmann formula. A comparative picture of molecular parameters like total energy, binding energy and total dipole moment has been given. A model has been developed to describe the nematogenicity of these acids in terms of their relative order with molecular parameter introduced in this article.

  6. Low-temperature self-limiting atomic layer deposition of wurtzite InN on Si(100)

    Energy Technology Data Exchange (ETDEWEB)

    Haider, Ali, E-mail: ali.haider@bilkent.edu.tr, E-mail: biyikli@unam.bilkent.edu.tr; Kizir, Seda; Biyikli, Necmi, E-mail: ali.haider@bilkent.edu.tr, E-mail: biyikli@unam.bilkent.edu.tr [National Nanotechnology Research Center (UNAM), Bilkent University, Bilkent, Ankara 06800 Turkey (Turkey); Institute of Materials Science and Nanotechnology, Bilkent University, Bilkent, Ankara 06800 Turkey (Turkey)

    2016-04-15

    In this work, we report on self-limiting growth of InN thin films at substrate temperatures as low as 200 °C by hollow-cathode plasma-assisted atomic layer deposition (HCPA-ALD). The precursors used in growth experiments were trimethylindium (TMI) and N{sub 2} plasma. Process parameters including TMI pulse time, N{sub 2} plasma exposure time, purge time, and deposition temperature have been optimized for self-limiting growth of InN with in ALD window. With the increase in exposure time of N{sub 2} plasma from 40 s to 100 s at 200 °C, growth rate showed a significant decrease from 1.60 to 0.64 Å/cycle. At 200 °C, growth rate saturated as 0.64 Å/cycle for TMI dose starting from 0.07 s. Structural, optical, and morphological characterization of InN were carried out in detail. X-ray diffraction measurements revealed the hexagonal wurtzite crystalline structure of the grown InN films. Refractive index of the InN film deposited at 200 °C was found to be 2.66 at 650 nm. 48 nm-thick InN films exhibited relatively smooth surfaces with Rms surface roughness values of 0.98 nm, while the film density was extracted as 6.30 g/cm{sup 3}. X-ray photoelectron spectroscopy (XPS) measurements depicted the peaks of indium, nitrogen, carbon, and oxygen on the film surface and quantitative information revealed that films are nearly stoichiometric with rather low impurity content. In3d and N1s high-resolution scans confirmed the presence of InN with peaks located at 443.5 and 396.8 eV, respectively. Transmission electron microscopy (TEM) and selected area electron diffraction (SAED) further confirmed the polycrystalline structure of InN thin films and elemental mapping revealed uniform distribution of indium and nitrogen along the scanned area of the InN film. Spectral absorption measurements exhibited an optical band edge around 1.9 eV. Our findings demonstrate that HCPA-ALD might be a promising technique to grow crystalline wurtzite InN thin films at low substrate

  7. Low-temperature self-limiting atomic layer deposition of wurtzite InN on Si(100

    Directory of Open Access Journals (Sweden)

    Ali Haider

    2016-04-01

    Full Text Available In this work, we report on self-limiting growth of InN thin films at substrate temperatures as low as 200 °C by hollow-cathode plasma-assisted atomic layer deposition (HCPA-ALD. The precursors used in growth experiments were trimethylindium (TMI and N2 plasma. Process parameters including TMI pulse time, N2 plasma exposure time, purge time, and deposition temperature have been optimized for self-limiting growth of InN with in ALD window. With the increase in exposure time of N2 plasma from 40 s to 100 s at 200 °C, growth rate showed a significant decrease from 1.60 to 0.64 Å/cycle. At 200 °C, growth rate saturated as 0.64 Å/cycle for TMI dose starting from 0.07 s. Structural, optical, and morphological characterization of InN were carried out in detail. X-ray diffraction measurements revealed the hexagonal wurtzite crystalline structure of the grown InN films. Refractive index of the InN film deposited at 200 °C was found to be 2.66 at 650 nm. 48 nm-thick InN films exhibited relatively smooth surfaces with Rms surface roughness values of 0.98 nm, while the film density was extracted as 6.30 g/cm3. X-ray photoelectron spectroscopy (XPS measurements depicted the peaks of indium, nitrogen, carbon, and oxygen on the film surface and quantitative information revealed that films are nearly stoichiometric with rather low impurity content. In3d and N1s high-resolution scans confirmed the presence of InN with peaks located at 443.5 and 396.8 eV, respectively. Transmission electron microscopy (TEM and selected area electron diffraction (SAED further confirmed the polycrystalline structure of InN thin films and elemental mapping revealed uniform distribution of indium and nitrogen along the scanned area of the InN film. Spectral absorption measurements exhibited an optical band edge around 1.9 eV. Our findings demonstrate that HCPA-ALD might be a promising technique to grow crystalline wurtzite InN thin films at low substrate temperatures.

  8. Two-Photon Laser-Induced Fluorescence O and N Atoms for the Study of Heterogeneous Catalysis in a Diffusion Reactor

    Science.gov (United States)

    Pallix, Joan B.; Copeland, Richard A.; Arnold, James O. (Technical Monitor)

    1995-01-01

    Advanced laser-based diagnostics have been developed to examine catalytic effects and atom/surface interactions on thermal protection materials. This study establishes the feasibility of using laser-induced fluorescence for detection of O and N atom loss in a diffusion tube to measure surface catalytic activity. The experimental apparatus is versatile in that it allows fluorescence detection to be used for measuring species selective recombination coefficients as well as diffusion tube and microwave discharge diagnostics. Many of the potential sources of error in measuring atom recombination coefficients by this method have been identified and taken into account. These include scattered light, detector saturation, sample surface cleanliness, reactor design, gas pressure and composition, and selectivity of the laser probe. Recombination coefficients and their associated errors are reported for N and O atoms on a quartz surface at room temperature.

  9. Atomic-Level Simulation Study of n-Hexane Pyrolysis on Silicon Carbide Surfaces.

    Science.gov (United States)

    Sajib, Md Symon Jahan; Samieegohar, Mohammadreza; Wei, Tao; Shing, Katherine

    2017-10-24

    Ethylene production plays a key role in the petrochemical industry. The severe operation conditions of ethylene thermal cracking, such as high-temperature and coke-formation, pose challenges for the development of new corrosion-resistant and coking-resistant materials for ethylene reactor radiant coils tubes (RCTs). We investigated the performance of ceramic materials such as silicon carbide (SiC) in severe pyrolysis conditions by using reactive force field molecular dynamics (ReaxFF MD) simulation method. Our results indicate that β-SiC surface remains fully stable at 1500 K, whereas increased temperature results in melted interface. At 2500 K, fully grown cross-linked-graphene-like polycyclic aromatic hydrocarbon coking structure on SiC surfaces was observed. Such coking was particularly severe in the carbon-side of the surface slab. The coking structures were mainly derived from surface atoms at the initial 3.0 ns, as a result of the loss of interfacial hydroxyl layer and further hydrothermal corrosion. The SiC substrate surface enhances the ethylene cracking rate and also leads to different intermediate-state compounds. Our fundamental research will have significant and broad impact on both petrochemical industry and academic research in materials science, petrochemistry, and combustion chemistry.

  10. Magnetic core-shell CuFe2O4@C3N4 hybrids for visible light photocatalysis of Orange II.

    Science.gov (United States)

    Yao, Yunjin; Lu, Fang; Zhu, Yanping; Wei, Fengyu; Liu, Xueting; Lian, Chao; Wang, Shaobin

    2015-10-30

    Novel CuFe2O4@C3N4 core-shell photocatalysts were fabricated through a self-assembly method and characterized by X-ray diffraction, Fourier transform infrared spectroscopy, thermogravimetric analysis, X-ray photoelectron spectroscopy, transmission electron microscopy and Uv-vis diffuse reflection spectroscopy. The photocatalytic performances of the CuFe2O4@C3N4 catalysts were evaluated in photo Fenton-like discoloration of Orange II dye using H2O2 as an oxidant under visible-light irradiation (λ>420 nm). It was found the CuFe2O4@C3N4 hybrid (mass ratio of CuFe2O4/g-C3N4 at 2:1) exhibits a superior activity as compared with single component of CuFe2O4 or g-C3N4 and the mixture of g-C3N4 and CuFe2O4, due to the elevation of the separation efficiency of photoinduced electron-hole pairs, resulted from the heterojunction between the interfaces of g-C3N4 and CuFe2O4. The quenching tests of different scavengers displayed that O2(•-), OH and h(+) are responsible for the Orange II decolorization. In addition, the effects of initial concentration of the dye contaminant (0.014-0.140 mM), different anions (Cl(-), SO4(2-), NO3(-), CH3COO(-) and HCO3(-)) and temperature (15-65 °C) in photoreaction were also investigated. The CuFe2O4@C3N4 sample exhibited stable performance without obvious loss of catalytic activity after five successive runs, showing a promising application for the photo-oxidative degradation of environmental contaminants. Copyright © 2015 Elsevier B.V. All rights reserved.

  11. Atomic arrangement at the AlN/ZrB2 interface

    Science.gov (United States)

    Liu, R.; Bell, A.; Ponce, F. A.; Kamiyama, S.; Amano, H.; Akasaki, I.

    2002-10-01

    Low-dislocation-density GaN films (approx108 cm-2) have been grown on closely lattice-matched ZrB2 substrates by metalorganic vapor phase epitaxy using low-temperature AlN as a buffer layer. High-resolution electron microscopy images of the AlN/ZrB2 interface region reveal that the AlN buffer layer does not grow directly on the ZrB2 substrate. Instead, the existence of an unintentional intermediate cubic-phase layer (approximately 2 nm thick) has been observed. Misfit dislocations are evident at both interfaces of the intermediate layer. Our analysis indicates that the intermediate layer has a lattice constant a=4.6 A, and that it is a ternary alloy of ZrxByNz, which should result from a transformation from the hexagonal phase of ZrB2 due to interdiffusion of nitrogen and boron at the elevated temperature required for growth of GaN. This intermediate cubic-phase layer of ZrxByNz appears to have been so far unavoidable in the growth of high-quality GaN epilayers on ZrB2 substrates by our technique.

  12. Simultaneous sonosynthesis and sonofabrication of N-doped ZnO/TiO2 core-shell nanocomposite on wool fabric: Introducing various properties specially nano photo bleaching.

    Science.gov (United States)

    Behzadnia, Amir; Montazer, Majid; Rad, Mahnaz Mahmoudi

    2015-11-01

    In this study, N-doped ZnO/TiO2 core-shell nanocomposite was successfully sonosynthesized and sonofabricated on wool fabric through a facile one-step method under ambient pressure and low temperature (75-80°C) as a novel photo-catalyst nanocomposite on textile material. The differences between crystalline phase transformation of conventional and ultrasound synthesized N-ZnO/TiO2 has been compared. The influence of different zinc acetate and titanium isopropoxide precursors in the formation of nanocomposite was studied and optimized through response surface methodology. The photocatalytic activity of the sonofabricated catalyst on the wool fabric surface was evaluated through decomposition of Methylene Blue as a model compound under sunlight irradiation. Also, N-doped ZnO/TiO2 nanocomposite sonosynthesized on wool fabric led to photo bleaching of wool fabric due to decomposition of the naturally occurred pigments under daylight irradiation. Further, yellowness index, antibacterial and antifungal activity against Escherichia coli, Staphylococcus aureus and Candida albicans, cell viability, char residual, alkali solubility, mechanical properties and water drop absorption time on the treated wool fabrics were evaluated. Also, the acid solubility of the synthesized nanopowder obtained from sonobath after treatment was characterized in acetic acid indicating higher acid resistance on N-doped ZnO/TiO2 nanocomposite. Copyright © 2015 Elsevier B.V. All rights reserved.

  13. The annealing of interstitial carbon atoms in high-resistivity n-type silicon after proton irradiation

    CERN Document Server

    Kuhnke, M; Lindström, G

    2002-01-01

    The annealing of interstitial carbon C sub i after 7-10 MeV and 23 GeV proton irradiations at room temperature in high-resistivity n-type silicon is investigated. Deep level transient spectroscopy is used to determine the defect parameters. The annealing characteristics of the impurity defects C sub i , C sub i C sub s , C sub i O sub i and VO sub i suggest that the mobile C sub i atoms are also captured at divacancy VV sites at the cluster peripheries and not only at C sub s and O sub i sites in the silicon bulk. The deviation of the electrical filling characteristic of C sub i from the characteristic of a homogeneously distributed defect can be explained by an aggregation of C sub i atoms in the environment of the clusters. The capture rate of electrons into defects located in the cluster environment is reduced due to a positive space charge region surrounding the negatively charged cluster core. The optical filling characteristic of C sub i suggests that the change of the triangle-shaped electric field dis...

  14. Impacts of oxidants in atomic layer deposition method on Al2O3/GaN interface properties

    Science.gov (United States)

    Taoka, Noriyuki; Kubo, Toshiharu; Yamada, Toshikazu; Egawa, Takashi; Shimizu, Mitsuaki

    2018-01-01

    The electrical interface properties of GaN metal–oxide–semiconductor (MOS) capacitors with an Al2O3 gate insulator formed by atomic layer deposition method using three kinds of oxidants were investigated by the capacitance–voltage technique, Terman method, and conductance method. We found that O3 and the alternate supply of H2O and O3 (AS-HO) are effective for reducing the interface trap density (D it) at the energy range of 0.15 to 0.30 eV taking from the conduction band minimum. On the other hand, we found that surface potential fluctuation (σs) induced by interface charges for the AS-HO oxidant is much larger than that for a Si MOS capacitor with a SiO2 layer formed by chemical vapor deposition despite the small D it values for the AS-HO oxidant compared with the Si MOS capacitor. This means that the total charged center density including the fixed charge density, charged slow trap density, and charged interface trap density for the GaN MOS capacitor is higher than that for the Si MOS capacitor. Therefore, σs has to be reduced to improve the performances and reliability of GaN devices with the Al2O3/GaN interfaces.

  15. Atomic coordination reflects peptide immunogenicity

    Directory of Open Access Journals (Sweden)

    Georgios S.E. Antipas

    2016-01-01

    Full Text Available We demonstrated that the immunological identity of variant peptides may be accurately predicted on the basis of atomic coordination of both unprotonated and protonated tertiary structures, provided that the structure of the native peptide (index is known. The metric which was discovered to account for this discrimination is the coordination difference between the variant and the index; we also showed that increasing coordination difference in respect to the index was correlated to a correspondingly weakening immunological outcome of the variant. Additionally, we established that this metric quickly seizes to operate beyond the peptide scale, e.g. over a coordination shell inclusive of atoms up to a distance of 7 Å away from the peptide or over the entire pMHC-TCR complex. Analysis of molecular orbital interactions over a range of formal charges further revealed that the N-terminus of the agonists was always able to sustain a stable ammonium (NH3+ group which was consistently absent in antagonists. We deem that the presence of NH3+ constitutes a secondary observable with a biological consequence, signifying a change in T cell activation. While our analysis of protonated structures relied on the quantum chemical relaxation of the H species, the results were consistent over a wide range of peptide charge and spin polarization conditions.

  16. Chemistry with bigger, better atoms

    Indian Academy of Sciences (India)

    DELL

    Why are QD-QD solids Stoichiometric. • Adjacent QD levels are <0.1 eV apart. • In contrast, atomic oxidation states are separated by. ~1 eV. • Creation of a Stoichiometric defect is 1012 times easier. × Packing Effects. × (Impossible in disordered solids). × Shell Filling. × (Insufficient level separation) ...

  17. One-electron reduction of N-chlorinated and N-brominated species is a source of radicals and bromine atom formation.

    Science.gov (United States)

    Pattison, David I; O'Reilly, Robert J; Skaff, Ojia; Radom, Leo; Anderson, Robert F; Davies, Michael J

    2011-03-21

    Hypochlorous (HOCl) and hypobromous (HOBr) acids are strong bactericidal oxidants that are generated by the human immune system but are implicated in the development of many human inflammatory diseases (e.g., atherosclerosis, asthma). These oxidants react readily with sulfur- and nitrogen-containing nucleophiles, with the latter generating N-halogenated species (e.g., chloramines/bromamines (RR'NX; X = Cl, Br)) as initial products. Redox-active metal ions and superoxide radicals (O(2)(•-)) can reduce N-halogenated species to nitrogen- and carbon-centered radicals. N-Halogenated species and O(2)(•-) are generated simultaneously at sites of inflammation, but the significance of their interactions remains unclear. In the present study, rate constants for the reduction of N-halogenated amines, amides, and imides to model potential biological substrates have been determined. Hydrated electrons reduce these species with k(2) > 10(9) M(-1) s(-1), whereas O(2)(•-) reduced only N-halogenated imides with complex kinetics indicative of chain reactions. For N-bromoimides, heterolytic cleavage of the N-Br bond yielded bromine atoms (Br(•)), whereas for other substrates, N-centered radicals and Cl(-)/Br(-) were produced. High-level quantum chemical procedures have been used to calculate gas-phase electron affinities and aqueous solution reduction potentials. The effects of substituents on the electron affinities of aminyl, amidyl, and imidyl radicals are rationalized on the basis of differential effects on the stabilities of the radicals and anions. The calculated reduction potentials are consistent with the experimental observations, with Br(•) production predicted for N-bromosuccinimide, while halide ion formation is predicted in all other cases. These data suggest that interaction of N-halogenated species with O(2)(•-) may produce deleterious N-centered radicals and Br(•).

  18. Visualization of drug-nucleic acid interactions at atomic resolution. IX. Structures of two N,N-dimethylproflavine: 5-iodocytidylyl (3'-5') guanosine crystalline complexes

    Energy Technology Data Exchange (ETDEWEB)

    Bhandary, K.K.; Sakore, T.D.; Sobell, H.M.; King, D.; Gabbay, E.J.

    1984-01-01

    This paper describes two complexes containing N,N-dimethylproflavine and the dinucleoside monophosphate, 5-iodocytidylyl(3'-5')guanosine (iodoCpG). The first complex is triclinic, space group P1, with unit cell dimensions a = 11.78 A, b = 14.55 A, c = 15.50 A, ..cap alpha.. = 89.2/sup 0/, ..beta.. 86.2/sup 0/, ..gamma.. = 96.4/sup 0/. The second complex is monoclinic, space group P2/sub 1/, with a = 14.20 A, b = 19.00 A, c = 20.73 A, ..beta.. = 103.6/sup 0/. Both structures have been solved to atomic resolution and refined by Fourier and least squares methods. The first structure has been refined anisotropically to a residual of 0.09 on 5025 observed reflections using block diagonal least squares, while the second structure has been refined isotropically to a residual of 0.13 on 2888 reflections with full matrix least squares. The asymmetric unit in both structures contains two dimethylproflavine molecules and two iodoCpG molecules; the first structure has 16 water molecules (a total of 134 non-hydrogen atoms), while the second structure has 18 water molecules (a total of 136 non-hydrogen atoms). Both structures demonstrate intercalation of dimethylproflavine between base-paired iodoCpG dimers. In addition, dimethylproflavine molecules stack on either side of the intercalated duplex, being related by a unit cell translation along b and a axes, respectively. 16 references, 13 figures, 5 tables.

  19. Phase control of Kerr nonlinearity due to quantum interference in a four-level N-type atomic system

    Energy Technology Data Exchange (ETDEWEB)

    Asadpour, Seyyed Hossein, E-mail: S.hosein.asadpour@gmail.com [Young Researchers Club, Bandar Anzali Branch, Islamic Azad University, Bandar Anzali (Iran, Islamic Republic of); Reza Hamedi, Hamid; Sahrai, Mostafa [Research Institute for Applied Physics and Astronomy, University of Tabriz, Tabriz (Iran, Islamic Republic of)

    2012-08-15

    Linear and nonlinear response of a four-level N-type atomic system for a weak probe field is investigated. It is demonstrated that the giant Kerr nonlinearity with reduced absorption can be achieved by the spontaneously generated coherence. In addition, the effect of a relative phase between coupling fields on linear and nonlinear absorption as well as Kerr nonlinearity is then discussed. - Highlights: Black-Right-Pointing-Pointer The quantum interference due to spontaneous emission is considered in a four level medium. Black-Right-Pointing-Pointer The giant Kerr nonlinearity in the reduced linear absorption is obtained. Black-Right-Pointing-Pointer The phase control of driving fields on linear and nonlinear susceptibility is investigated.

  20. Charge exchange from D(n=2) atoms to low-Z receiver ions

    NARCIS (Netherlands)

    Hoekstra, R; Anderson, H; Bliek, FW; von Hellermann, M; Maggi, CF; Olson, RE; Summers, HP

    To elucidate the influence on charge-exchange Spectroscopy of metastable deuterium donors, the corresponding cross sections for state-selective charge transfer have been calculated using the classical trajectory Monte Carlo method. The cross sections for electron capture from D(n = 2) by fully

  1. Effect of doping of N and B atoms on thermoelectric properties of ...

    Indian Academy of Sciences (India)

    In this work, the doping effect on the thermoelectric properties of the C60 molecule (fullerene) was studied by considering inelastic electron–phonon interactions. It is seen that the maximum value of thermal conductance (max) with respect to the molecules are max(C59N) < max(C60) < max(C59B). Also, the ...

  2. Photoluminescence recovery by in-situ exposure of plasma-damaged n-GaN to atomic hydrogen at room temperature

    Directory of Open Access Journals (Sweden)

    Shang Chen

    2012-06-01

    Full Text Available The effect of in-situ exposure of n-GaN damaged by Cl2 plasma to atomic hydrogen (H radicals at room temperature was investigated. We found that the PL intensities of the band-edge emission, which had been drastically reduced by plasma-beam irradiation at a Cl ion dose of 5 × 1016 cm−2, recovered to values close to those of as-grown samples after H radical exposure at a dose of 3.8 × 1017 cm−2. XPS revealed the appearance of a peak at a binding energy of 18.3 eV, which is tentatively assigned to Ga-H, and confirmed the removal of Cl after H radical exposure.

  3. Single Atomically Sharp Lateral Monolayer p-n Heterojunction Solar Cells with Extraordinarily High Power Conversion Efficiency.

    Science.gov (United States)

    Tsai, Meng-Lin; Li, Ming-Yang; Retamal, José Ramón Durán; Lam, Kai-Tak; Lin, Yung-Chang; Suenaga, Kazu; Chen, Lih-Juann; Liang, Gengchiau; Li, Lain-Jong; He, Jr-Hau

    2017-08-01

    The recent development of 2D monolayer lateral semiconductor has created new paradigm to develop p-n heterojunctions. Albeit, the growth methods of these heterostructures typically result in alloy structures at the interface, limiting the development for high-efficiency photovoltaic (PV) devices. Here, the PV properties of sequentially grown alloy-free 2D monolayer WSe2 -MoS2 lateral p-n heterojunction are explores. The PV devices show an extraordinary power conversion efficiency of 2.56% under AM 1.5G illumination. The large surface active area enables the full exposure of the depletion region, leading to excellent omnidirectional light harvesting characteristic with only 5% reduction of efficiency at incident angles up to 75°. Modeling studies demonstrate the PV devices comply with typical principles, increasing the feasibility for further development. Furthermore, the appropriate electrode-spacing design can lead to environment-independent PV properties. These robust PV properties deriving from the atomically sharp lateral p-n interface can help develop the next-generation photovoltaics. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Single Atomically Sharp Lateral Monolayer p-n Heterojunction Solar Cells with Extraordinarily High Power Conversion Efficiency

    KAUST Repository

    Tsai, Meng-Lin

    2017-06-26

    The recent development of 2D monolayer lateral semiconductor has created new paradigm to develop p-n heterojunctions. Albeit, the growth methods of these heterostructures typically result in alloy structures at the interface, limiting the development for high-efficiency photovoltaic (PV) devices. Here, the PV properties of sequentially grown alloy-free 2D monolayer WSe-MoS lateral p-n heterojunction are explores. The PV devices show an extraordinary power conversion efficiency of 2.56% under AM 1.5G illumination. The large surface active area enables the full exposure of the depletion region, leading to excellent omnidirectional light harvesting characteristic with only 5% reduction of efficiency at incident angles up to 75°. Modeling studies demonstrate the PV devices comply with typical principles, increasing the feasibility for further development. Furthermore, the appropriate electrode-spacing design can lead to environment-independent PV properties. These robust PV properties deriving from the atomically sharp lateral p-n interface can help develop the next-generation photovoltaics.

  5. An Atom-Economical Method To Prepare Enantiopure Benzodiazepines with N-Carboxyanhydrides.

    Science.gov (United States)

    Fier, Patrick S; Whittaker, Aaron M

    2017-03-17

    The development of a rapid, one-pot synthesis of diazepinones with simple reagents is described. N-Carboxyanhydrides (NCAs) are employed as amino acid building blocks that react with o-ketoanilines sequentially as electrophiles and nucleophiles to form diazepinones with water and carbon dioxide as byproducts. Notably, these reactions enable the coupling of stereodefined amino acid derived NCAs without racemization. This method is demonstrated by an improved synthesis of a key intermediate toward a bromodomain and extra-terminal (BET) bromodomain inihibitor.

  6. Ab initio thermochemistry with high-level isodesmic corrections: validation of the ATOMIC protocol for a large set of compounds with first-row atoms (H, C, N, O, F).

    Science.gov (United States)

    Bakowies, Dirk

    2009-10-29

    The recently proposed ATOMIC protocol is a fully ab initio thermochemical approach designed to provide accurate atomization energies for molecules with well-defined valence structures. It makes consistent use of the concept of bond-separation reactions to supply high-level precomputed bond increments which correct for errors of lower-level models. The present work extends the approach to the calculation of standard heats of formation and validates it by comparison to experimental and benchmark level ab initio data reported in the literature. Standard heats of formation (298 K) have been compiled for a large sample of 173 neutral molecules containing hydrogen and first-row atoms (C, N, O, F), resorting to several previous compilations and to the original experimental literature. Statistical evaluation shows that the simplest implementation of the ATOMIC protocol (composite model C) achieves an accuracy comparable to the popular Gaussian-3 approach and that composite models A and B perform better. Chemical accuracy (1-2 kcal/mol) is normally achieved even for larger systems with about 10 non-hydrogen atoms and for systems with charge-separated valence structures, bearing testimony to the robustness of the bond-separation reaction model. Effects of conformational averaging have been examined in detail for the series of n-alkanes, and our most refined composite model A reproduces experimental heats of formation quantitatively, provided that conformational averaging is properly accounted for. Several cases of larger discrepancy with respect to experiment are discussed, and potential weaknesses of the approach are identified.

  7. Shell ontogeny in radiolarians

    Digital Repository Service at National Institute of Oceanography (India)

    Anderson, O.R.; Gupta, S.M.

    The ontogeny of the shells in modern and ancient radiolarian species, Acrosphaera cyrtodon were observed by scanning and transmission electron microscopy. The shells of A. cyrtodon were obtained from core samples collected from the Central Indian...

  8. Maximally Atomic Languages

    Directory of Open Access Journals (Sweden)

    Janusz Brzozowski

    2014-05-01

    Full Text Available The atoms of a regular language are non-empty intersections of complemented and uncomplemented quotients of the language. Tight upper bounds on the number of atoms of a language and on the quotient complexities of atoms are known. We introduce a new class of regular languages, called the maximally atomic languages, consisting of all languages meeting these bounds. We prove the following result: If L is a regular language of quotient complexity n and G is the subgroup of permutations in the transition semigroup T of the minimal DFA of L, then L is maximally atomic if and only if G is transitive on k-subsets of 1,...,n for 0 <= k <= n and T contains a transformation of rank n-1.

  9. K-Shell Photoabsorption and Photoionisation of Trace Elements I. Isoelectronic Sequences With Electron Number 3< or = N < or = 11

    Science.gov (United States)

    Palmeri, P.; Quinet, P.; Mendoza, C.; Bautista, M. A.; Witthoeft, M. C.; Kallman, T. R.

    2016-01-01

    Context. With the recent launching of the Hitomi X-ray space observatory, K lines and edges of chemical elements with low cosmic abundances, namely F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu and Zn, can be resolved and used to determine important properties of supernova remnants, galaxy clusters and accreting black holes and neutron stars.Aims. The second stage of the present ongoing project involves the computation of the accurate photoabsorption and photoionisation cross sections required to interpret the X-ray spectra of such trace elements.Methods. Depending on target complexity and computer tractability, ground-state cross sections are computed either with the close-coupling Breit-Pauli R-matrix method or with the autostructure atomic structure code in the isolated-resonance approximation. The intermediate-coupling scheme is used whenever possible. In order to determine a realistic K-edge behaviour for each species, both radiative and Auger dampings are taken into account, the latter being included in the R-matrix formalism by means of an optical potential.Results. Photoabsorption and total and partial photoionisation cross sections are reported for isoelectronic sequences with electron numbers 3 11 as they contribute significantly to the monotonic background of the cross section between the L and K edges. Configurations with 3d orbitals are important in rendering an accurate L edge, but they can be practically neglected in the K-edge region.

  10. Preparation, thermal properties and thermal reliabilities of microencapsulated n-octadecane with acrylic-based polymer shells for thermal energy storage

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, Xiaolin [Advanced Materials Institute and Clearer Production Key Laboratory, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Key Laboratory of Advanced Materials, Department of Materials Science and Engineering, Tsinghua University, Haidian District, Beijing 100084 (China); Song, Guolin; Chu, Xiaodong; Li, Xuezhu [Advanced Materials Institute and Clearer Production Key Laboratory, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Tang, Guoyi, E-mail: tanggy@tsinghua.edu.cn [Advanced Materials Institute and Clearer Production Key Laboratory, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Key Laboratory of Advanced Materials, Department of Materials Science and Engineering, Tsinghua University, Haidian District, Beijing 100084 (China)

    2013-01-10

    Highlights: Black-Right-Pointing-Pointer n-Octadecane was encapsulated by p(butyl methacrylate) (PBMA) and p(butyl acrylate). Black-Right-Pointing-Pointer Microcapsules using divinylbenzene as crosslinking agent have better quality. Black-Right-Pointing-Pointer Microcapsule with butyl methacrylate-divinylbenzene has highest latent heat. Black-Right-Pointing-Pointer Microcapsule with butyl methacrylate-divinylbenzene has greatest thermal stability. Black-Right-Pointing-Pointer Phase change temperatures and enthalpies of the microcapsules varied little after thermal cycle. - Abstract: Microencapsulation of n-octadecane with crosslinked p(butyl methacrylate) (PBMA) and p(butyl acrylate) (PBA) as shells for thermal energy storage was carried out by a suspension-like polymerization. Divinylbenzene (DVB) and pentaerythritol triacrylate (PETA) were employed as crosslinking agents. The surface morphologies of the microencapsulated phase change materials (microPCMs) were studied by scanning electron microscopy (SEM). Thermal properties, thermal reliabilities and thermal stabilities of the as-prepared microPCMs were investigated by differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA). The microPCMs prepared by using DVB exhibit greater heat capacities and higher thermal stabilities compared with those prepared by using PETA. The thermal resistant temperature of the microPCM with BMA-DVB polymer was up to 248 Degree-Sign C. The phase change temperatures and latent heats of all the as-prepared microcapsules varied little after 1000 thermal cycles.

  11. Atomic Structure and Biochemical Characterization of an RNA Endonuclease in the N Terminus of Andes Virus L Protein.

    Directory of Open Access Journals (Sweden)

    Yaiza Fernández-García

    2016-06-01

    Full Text Available Andes virus (ANDV is a human-pathogenic hantavirus. Hantaviruses presumably initiate their mRNA synthesis by using cap structures derived from host cell mRNAs, a mechanism called cap-snatching. A signature for a cap-snatching endonuclease is present in the N terminus of hantavirus L proteins. In this study, we aimed to solve the atomic structure of the ANDV endonuclease and characterize its biochemical features. However, the wild-type protein was refractory to expression in Escherichia coli, presumably due to toxic enzyme activity. To circumvent this problem, we introduced attenuating mutations in the domain that were previously shown to enhance L protein expression in mammalian cells. Using this approach, 13 mutant proteins encompassing ANDV L protein residues 1-200 were successfully expressed and purified. Protein stability and nuclease activity of the mutants was analyzed and the crystal structure of one mutant was solved to a resolution of 2.4 Å. Shape in solution was determined by small angle X-ray scattering. The ANDV endonuclease showed structural similarities to related enzymes of orthobunya-, arena-, and orthomyxoviruses, but also differences such as elongated shape and positively charged patches surrounding the active site. The enzyme was dependent on manganese, which is bound to the active site, most efficiently cleaved single-stranded RNA substrates, did not cleave DNA, and could be inhibited by known endonuclease inhibitors. The atomic structure in conjunction with stability and activity data for the 13 mutant enzymes facilitated inference of structure-function relationships in the protein. In conclusion, we solved the structure of a hantavirus cap-snatching endonuclease, elucidated its catalytic properties, and present a highly active mutant form, which allows for inhibitor screening.

  12. Shell concrete pavement.

    Science.gov (United States)

    1966-10-01

    This report describes the testing performed with reef shell, clam shell and a combination of reef and clam shell used as coarse aggregate to determine if a low modulus concrete could be developed for use as a base material as an alternate to the pres...

  13. Production of TiN thin films by N2-laser-ablated Ti atoms in nitrogen gas atmospheres

    Science.gov (United States)

    Castell, R.; Ruiz, A.; Castell, C.; Suárez, C.

    Laser ablation has proven to be an important technique for thin film deposition because of the high velocity heating and quenching of materials. We have used a nitrogen laser, which is capable of producing nanosecond pulses of intense UV (337.1 nm) radiation to generate high-temperature and high-electron-density plasmas when strongly focused on titanium targets. Laser beam pulses with a peak energy of 32 J/cm2 and a power density of 1.6 GW/cm2 were used in this experiment. As ablated Ti species are allowed to expand further in a nitrogen atmosphere, they cool down and eventually dissipate. In this sequence, they meet a substrate where condensation, nucleation, and growth processes yield TiN thin films because of the reaction with the nitrogen gas. Thin film depositions were made on stainless steel (AISI 1020 and AISI 304) substrates at nitrogen gas pressures ranging from 10-1 Pa to 200 Pa and for different distances between the substrate and the spot where the laser beam was focused upon the target. For rather short distances (less than 7 mm), optical microscopy shows the effect of a further plasma-thin film interaction, while at larger distances, the depositions exhibit a regular film condensation from the vapor. Microstructure characterization of the thin film deposited was done by several techniques. The typical cubic TiN phase was identified by transmission electron microscopy (TEM) and energy dispersion spectroscopy (EDS).

  14. Resistive switching and synaptic properties of fully atomic layer deposition grown TiN/HfO{sub 2}/TiN devices

    Energy Technology Data Exchange (ETDEWEB)

    Matveyev, Yu.; Zenkevich, A. [Moscow Institute of Physics and Technology, 141700 Moscow Region (Russian Federation); NRNU “Moscow Engineering Physics Institute”, 115409 Moscow (Russian Federation); Egorov, K.; Markeev, A. [Moscow Institute of Physics and Technology, 141700 Moscow Region (Russian Federation)

    2015-01-28

    Recently proposed novel neural network hardware designs imply the use of memristors as electronic synapses in 3D cross-bar architecture. Atomic layer deposition (ALD) is the most feasible technique to fabricate such arrays. In this work, we present the results of the detailed investigation of the gradual resistive switching (memristive) effect in nanometer thick fully ALD grown TiN/HfO{sub 2}/TiN stacks. The modelling of the I-V curves confirms interface limited trap-assisted-tunneling mechanism along the oxygen vacancies in HfO{sub 2} in all conduction states. The resistivity of the stack is found to critically depend upon the distance from the interface to the first trap in HfO{sub 2}. The memristive properties of ALD grown TiN/HfO{sub 2}/TiN devices are correlated with the demonstrated neuromorphic functionalities, such as long-term potentiation/depression and spike-timing dependent plasticity, thus indicating their potential as electronic synapses in neuromorphic hardware.

  15. Insight into the promotion effect of pre-covered X (C, N and O) atoms on the dissociation of water on Cu(111) surface: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Zhao; Fang, Tao, E-mail: taofang@mail.xjtu.edu.cn

    2016-07-15

    Highlights: • Complete dehydrogenation mechanisms of H{sub 2}O on clean and X-covered Cu(111) were studied using periodic DFT calculations. • The minimum energy paths for the dissociation of H{sub 2}O on four types Cu(111) surfaces were identified. • The role of the doped-C, N and O on the Cu(111) surface was discussed. - Abstract: Based on the density functional theory together with a periodic model, the adsorption and successive dissociation of water on clean and X (X = C, N and O)-covered Cu(111) surfaces have been investigated systematically. Our results indicate that the doping of carbon, nitrogen and oxygen atoms on the clean Cu(111) surface strengthens the interaction of H{sub 2}O-surface and weakens the interaction of OH-surface. The corresponding adsorption configurations of adsorbates are slightly changed. Compared to that on clean Cu(111) surface, it is revealed that the doped C, N and O atoms can promote the catalytic activity of H{sub 2}O dissociation and that the adsorbed C and N atoms are beneficial for the dissociation of OH, namely, the joining of C and N atoms on Cu(111) surfaces improve the catalytic activity and selectivity for H{sub 2}O complete dissociation. Among four types Cu(111) surfaces, C-covered Cu(111) is the most favorable surface both kinetically and thermodynamically.

  16. Experimental and theoretical study of hydrogen atom abstraction from n-butane by lanthanum oxide cluster anions.

    Science.gov (United States)

    Xu, Bo; Zhao, Yan-Xia; Li, Xiao-Na; Ding, Xun-Lei; He, Sheng-Gui

    2011-09-22

    Lanthanum oxide cluster anions are prepared by laser ablation and reacted with n-C(4)H(10) in a fast flow reactor. A time-of-flight mass spectrometer is used to detect the cluster distribution before and after the reactions. (La(2)O(3))(m=1-3)OH(-) and La(3)O(7)H(-) are observed as products, which suggests the occurrence of hydrogen atom abstraction reactions: (La(2)O(3))(m=1-3)O(-) + n-C(4)H(10) → (La(2)O(3))(m=1-3)OH(-) + C(4)H(9) and La(3)O(7)(-) + n-C(4)H(10) → La(3)O(7)H(-) + C(4)H(9). Density functional theory (DFT) calculations are performed to study the structures and bonding properties of La(2)O(4)(-), La(3)O(7)(-), and La(4)O(7)(-) clusters. The calculated results show that each of La(2)O(4)(-) and La(4)O(7)(-) contains one oxygen-centered radical (O(-•)) which is responsible for the high reactivity toward n-C(4)H(10). La(3)O(7)(-) contains one oxygen-centered radical (O(-•)) and one superoxide unit (O(2)(-•)), and the O(-•) is responsible for its high reactivity toward n-C(4)H(10). The O(-•) and O(2)(-•) can be considered to be generated by the adsorption of an O(2) molecule onto the singlet La(3)O(5)(-) with electron transfer from a terminally bonded oxygen ion (O(2-)) to the O(2). This may help us understand the mechanism of the formation of O(-•) and O(2)(-•) radicals in lanthanum oxide systems. The reaction mechanisms of La(2)O(4)(-) + n-C(4)H(10) and La(3)O(7)(-) + n-C(4)H(10) are also studied by the DFT calculations, and the calculated results are in good agreement with the experimental observations. © 2011 American Chemical Society

  17. Kinetics and mechanism of the reaction of methacrolein with chlorine atoms in 1-950 Torr of N2 or N2/O2 diluent at 297 K.

    Science.gov (United States)

    Kaiser, E W; Pala, I R; Wallington, T J

    2010-07-01

    The rate constant of the reaction of Cl atoms with methacrolein (k(1)) has been measured relative to that of Cl with propane (k(2)) or cyclohexane (k(6)) at ambient temperature and pressures varying from 1-950 Torr. The experiments were carried out by irradiation (350 nm) of Cl(2)/methacrolein/propane or cyclohexane mixtures in N(2) or N(2)/O(2) diluent at ambient temperature in a spherical (500 cm(3)) Pyrex reactor (GC/FID analyses) or a 140 L FTIR smog chamber. The measured relative rate constant ratios in the GC/FID experiments were k(1)/k(2) = 1.464 +/- 0.015(2sigma) in N(2) and k(1)/k(2) = 1.68 +/- 0.03(2sigma) in N(2)/O(2) diluent (O(2) > 20,000 ppm). No pressure dependence was observed over the range studied in N(2) (120-950 Torr) using the GC/FID. In the FTIR/smog chamber experiments values of k(1)/k(6) = 0.645 +/- 0.032, 0.626 +/- 0.037, 0.586 +/- 0.026, and 0.479 +/- 0.024 were measured in 700, 100, 10, and 1 Torr, respectively, of N(2) diluent. Using k(2) = (1.4 +/- 0.2) x 10(-10) and k(6) = (3.3 +/- 0.5) x 10(-10) high pressure limiting rate constants of k(1) = (2.05 +/- 0.3) x 10(-10) [GC/FID] and (2.13 +/- 0.34) x 10(-10) [FTIR] cm(3) molecule(-1) s(-1) were determined. In experiments using the GC/FID reactor with N(2) diluent the following products (molar yields) were observed: 2,3-dichloro-2-methylpropanal [(47.2 +/- 8)% excluding error in calibration]; methacryloyl chloride [(22.9 +/- 2)%]; and 2-chloromethylacrolein [(2.3 +/- 0.8)%]. Addition of 200 ppm O(2) (with Cl(2) = 5000 ppm) resulted in a sharp reduction of the 2,3-dichloro-2-methylpropanal yield (to approximately 2%) with an accompanying appearance of chloroacetone [yield = (55 +/- 7)% decreasing to (44 +/- 7)% in air diluent]. The methacryloyl chloride yield was 23% for [O(2)]/[Cl(2)] ratios from 0 to 0.2 but decreased to near zero as the O(2)/Cl(2) ratio was increased to approximately 400. The variation in methacryloyl chloride yield with the O(2)/Cl(2) ratio in the initial mixture

  18. Atomic scale high-angle annular dark field STEM analysis of the N configuration in dilute nitrides of GaAs

    Energy Technology Data Exchange (ETDEWEB)

    Herrera, M. [University of California, Davis; Ramasse, Q. M. [Lawrence Berkeley National Laboratory (LBNL); Morgan, D. G. [University of Cadiz, Spain; Gonzalez, D. [University of Cadiz, Spain; Pizarro, J. [University of Cadiz, Spain; Yanez, A. [University of Cadiz, Spain; Galindo, P. [University of Cadiz, Spain; Garcia, R. [University of Cadiz, Spain; Du, Mao-Hua [ORNL; Zhang, S. B. [Rensselaer Polytechnic Institute (RPI); Hopkinson, M. [University of Sheffield; Browning, N. D. [Lawrence Livermore National Laboratory (LLNL)

    2009-01-01

    While high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) has been successfully used for the analysis of heavy atoms in a lighter matrix, the detection of light atoms in a heavy matrix remains challenging. In this paper, we show that the combination of first-principles total-energy calculations with aberration-corrected HAADF-STEM experimental and simulated images can be used to overcome this problem. The application of this methodology to the analysis of dilute nitrides of GaAs points to the existence of a major proportion of (2N{sub As})nn in the alloy, which is a relatively stable configuration in GaAsN as revealed by our energetic calculations. Our study has allowed us to shed light in the effect of the local distortion of the lattice due to different configuration of atoms in HAADF-STEM imaging.

  19. On the size and structure of helium snowballs formed around charged atoms and clusters of noble gases.

    Science.gov (United States)

    Bartl, Peter; Leidlmair, Christian; Denifl, Stephan; Scheier, Paul; Echt, Olof

    2014-09-18

    Helium nanodroplets doped with argon, krypton, or xenon are ionized by electrons and analyzed in a mass spectrometer. HenNgx(+) ions containing up to seven noble gas (Ng) atoms and dozens of helium atoms are identified; the high resolution of the mass spectrometer combined with advanced data analysis make it possible to unscramble contributions from isotopologues that have the same nominal mass but different numbers of helium or Ng atoms, such as the magic He20(84)Kr2(+) and the isobaric, nonmagic He41(84)Kr(+). Anomalies in these ion abundances reveal particularly stable ions; several intriguing patterns emerge. Perhaps most astounding are the results for HenAr(+), which show evidence for three distinct, solid-like solvation shells containing 12, 20, and 12 helium atoms. This observation runs counter to the common notion that only the first solvation shell is solid-like but agrees with calculations by Galli et al. for HenNa(+) [J. Phys. Chem. A 2011, 115, 7300] that reveal three shells of icosahedral symmetry. HenArx(+) (2 ≤ x ≤ 7) ions appear to be especially stable if they contain a total of n + x = 19 atoms. A sequence of anomalies in the abundance distribution of HenKrx(+) suggests that rings of six helium atoms are inserted into the solvation shell each time a krypton atom is added to the ionic core, from Kr(+) to Kr3(+). Previously reported strong anomalies at He12Kr2(+) and He12Kr3(+) [Kim , J. H.; et al. J. Chem. Phys. 2006, 124, 214301] are attributed to a contamination. Only minor local anomalies appear in the distributions of HenXex(+) (x ≤ 3). The distributions of HenKr(+) and HenXe(+) show strikingly similar, broad features that are absent from the distribution of HenAr(+); differences are tentatively ascribed to the very different fragmentation dynamics of these ions.

  20. Trapping of hydrogen atoms inside small beryllium clusters and their ions

    Science.gov (United States)

    Naumkin, F. Y.; Wales, D. J.

    2016-08-01

    Structure, stability and electronic properties are evaluated computationally for small Ben (n = 5-9) cluster cages accommodating atomic H inside and forming core-shell species. These parameters are predicted to vary significantly upon insertion of H, for ionic derivatives, and with the system size. In particular, the energy barrier for H-atom exit from the cage changes significantly for ions compared to the neutral counterparts. The corresponding effects predicted for cage assemblies suggest the possibility of efficient charge-control of hydrogen release. This, together with a high capacity for storing hydrogen in extended such assemblies might indicate a possible way towards feasible hydrogen-storage solutions.

  1. Laser-modified electron scattering from a slowly ionising atom

    Science.gov (United States)

    Fiordilino, E.; Mittleman, M. H.

    1983-01-01

    When an electron scatters from an atom in the presence of a laser field which is resonant with an atomic transition, off-shell effects enter into the cross section. These only become significant at higher laser intensities where the atom may also be ionised by the laser. Cross-sections are obtained for electron-atom scattering in which these off-shell effects appear and in which the slow ionisation of the atom by the laser is included. Experiments are suggested in which simplifications can occur and which still retain these 'exotic' effects.

  2. Effects of N2O and O2 addition to nitrogen Townsend dielectric barrier discharges at atmospheric pressure on the absolute ground-state atomic nitrogen density

    KAUST Repository

    Es-sebbar, Et-touhami

    2012-11-27

    Absolute ground-state density of nitrogen atoms N (2p3 4S3/2) in non-equilibrium Townsend dielectric barrier discharges (TDBDs) at atmospheric pressure sustained in N2/N2O and N2/O2 gas mixtures has been measured using Two-photon absorption laser-induced fluorescence (TALIF) spectroscopy. The quantitative measurements have been obtained by TALIF calibration using krypton as a reference gas. We previously reported that the maximum of N (2p3 4S3/2) atom density is around 3 × 1014 cm-3 in pure nitrogen TDBD, and that this maximum depends strongly on the mean energy dissipated in the gas. In the two gas mixtures studied here, results show that the absolute N (2p3 4S3/2) density is strongly affected by the N2O and O2 addition. Indeed, the density still increases exponentially with the energy dissipated in the gas but an increase in N2O and O2 amounts (a few hundreds of ppm) leads to a decrease in nitrogen atom density. No discrepancy in the order of magnitude of N (2p3 4S3/2) density is observed when comparing results obtained in N2/N2O and N2/O2 mixtures. Compared with pure nitrogen, for an energy of ∼90 mJ cm-3, the maximum of N (2p3 4S3/2) density drops by a factor of 3 when 100 ppm of N2O and O2 are added and it reduces by a factor of 5 for 200 ppm, to reach values close to our TALIF detection sensitivity for 400 ppm (1 × 1013 cm -3 at atmospheric pressure). © 2013 IOP Publishing Ltd.

  3. Growth kinetics and structural perfection of (InN){sub 1}/(GaN){sub 1–20} short-period superlattices on +c-GaN template in dynamic atomic layer epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Kusakabe, Kazuhide; Hashimoto, Naoki; Wang, Ke; Imai, Daichi [Center for SMART Green Innovation Research, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan); Itoi, Takaomi [Graduate School of Engineering, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan); Yoshikawa, Akihiko, E-mail: yoshi@faculty.chiba-u.jp [Center for SMART Green Innovation Research, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba 263-8522 (Japan); Graduate School of Engineering, Kogakuin University, Hachioji, Tokyo 192-0015 (Japan)

    2016-04-11

    The growth kinetics and structural perfection of (InN){sub 1}/(GaN){sub 1–20} short-period superlattices (SPSs) were investigated with their application to ordered alloys in mind. The SPSs were grown on +c-GaN template at 650 °C by dynamic atomic layer epitaxy in conventional plasma-assisted molecular beam epitaxy. It was found that coherent structured InN/GaN SPSs could be fabricated when the thickness of the GaN barrier was 4 ML or above. Below 3 ML, the formation of SPSs was quite difficult owing to the increased strain in the SPS structure caused by the use of GaN as a template. The effective or average In composition of the (InN){sub 1}/(GaN){sub 4} SPSs was around 10%, and the corresponding InN coverage in the ∼1 ML-thick InN wells was 50%. It was found that the effective InN coverage in ∼1 ML-thick InN wells could be varied with the growth conditions. In fact, the effective In composition could be increased up to 13.5%, i.e., the corresponding effective InN coverage was about 68%, by improving the capping/freezing speed by increasing the growth rate of the GaN barrier layer.

  4. Theoretical study on production of heavy neutron-rich isotopes around the N=126 shell closure in radioactive beam induced transfer reactions

    Directory of Open Access Journals (Sweden)

    Long Zhu

    2017-04-01

    Full Text Available In order to produce more unknown neutron-rich nuclei around N=126, the transfer reactions 136Xe + 198Pt, 136–144Xe + 208Pb, and 132Sn + 208Pb are investigated within the framework of the dinuclear system (DNS model. The influence of neutron excess of projectile on production cross sections of target-like products is studied through the reactions 136,144Xe + 208Pb. We find that the radioactive projectile 144Xe with much larger neutron excess is favorable to produce neutron-rich nuclei with charge number less than the target rather than produce transtarget nuclei. The incident energy dependence of yield distributions of fragments in the reaction 132Sn + 208Pb are also studied. The production cross sections of neutron-rich nuclei with Z=72–77 are predicted in the reactions 136–144Xe + 208Pb and 132Sn + 208Pb. It is noticed that the production cross sections of unknown neutron-rich nuclei in the reaction 144Xe + 208Pb are at least two orders of magnitude larger than those in the reaction 136Xe + 208Pb. The radioactive beam induced transfer reactions 139,144Xe + 208Pb, considering beam intensities proposed in SPIRAL2 (Production System of Radioactive Ion and Acceleration On-Line project as well, for production of neutron-rich nuclei around the N=126 shell closure are investigated for the first time. It is found that, in comparison to the stable beam 136Xe, the radioactive beam 144Xe shows great advantages for producing neutron-rich nuclei with N=126 and the advantages get more obvious for producing nuclei with less charge number.

  5. Acrylamide-b-N-isopropylacrylamide block copolymers : Synthesis by atomic transfer radical polymerization in water and the effect of the hydrophilic-hydrophobic ratio on the solution properties

    NARCIS (Netherlands)

    Wever, Diego Armando Z.; Ramalho, Graham; Picchioni, Francesco; Broekhuis, Antonius Augustinus

    2014-01-01

    A series of block copolymers of acrylamide and N-isopropylacrylamide (NIPAM) characterized by different ratios between the length of the two blocks have been prepared through atomic transfer radical polymerization in water at room temperature. The solution properties of the block copolymers were

  6. Core-Shell ZIF-8@ZIF-67 Derived CoP Nanoparticles-Embedded N-doped Carbon Nanotube Hollow Polyhedron for Efficient Over-all Water Splitting.

    Science.gov (United States)

    Pan, Yuan; Sun, Kaian; Liu, Shoujie; Cao, Xing; Wu, Konglin; Cheong, Weng-Chon; Chen, Zheng; Wang, Yu; Li, Yang; Liu, Yunqi; Wang, Dingsheng; Peng, Qing; Chen, Chen; Li, Yadong

    2018-01-17

    The construction of highly active and stable non-noble metal electrocatalysts for hydrogen and oxygen evolution reactions electrocatalysts is a major challenge for overall water splitting. Herein, we report a novel hybrid nanostructure with CoP na-noparticles (NPs) embedded in N-doped carbon nanotube hollow polyhedron (NCNHP) through a pyrolysis-oxidation-phosphidation strategy derived from core-shell ZIF-8@ZIF-67. Benefiting from the synergistic effects between highly active CoP NPs and NCNHP, the CoP/NCNHP hybrid exhibited outstanding bifunctional electrocatalytic performances. When the CoP/NCNHP was employed as both anode and cathode for overall water splitting, a potential as low as 1.64 V was needed to achieve the current density of 10 mA·cm-2, and it still exhibited superior activity after continuously working for 36 h with nearly negligible decay in potential. Density functional theory calculations indicated that the electron transfer from NCNHP to CoP could increase the electronic states of Co d-orbital around the Fermi level, which could increase binding strength with H, and therefore improve the electrocatalytic performance. The strong stability is attributed to high oxidation resistance of CoP surface protected by the NCNHP.

  7. Enhanced sensitivity and stability of room-temperature NH₃ sensors using core-shell CeO₂ nanoparticles@cross-linked PANI with p-n heterojunctions.

    Science.gov (United States)

    Wang, Lingling; Huang, Hui; Xiao, Songhua; Cai, Daoping; Liu, Yuan; Liu, Bin; Wang, Dandan; Wang, Chenxia; Li, Han; Wang, Yanrong; Li, Qiuhong; Wang, Taihong

    2014-08-27

    We report a room-temperature NH3 gas sensor with high response and great long-term stability, including CeO2 NPs conformally coated by cross-linked PANI hydrogel. Such core-shell nanocomposites were prepared by in situ polymerization with different weight ratios of CeO2 NPs and aniline. At room temperature, the nanohybrids showed enhanced response (6.5 to 50 ppm of NH3), which could be attributed to p-n junctions formed by the intimate contact between these two materials. Moreover, the stability was discussed in terms of phytic acid working as a gelator, which helped the PANI sheath accommodate itself and enhance the mechanical strength and chemical stability of the sensors by avoiding "swelling effect" in high relative humidity. The sensors maintained its sensing characteristic (response of ca. 6.5 to 50 ppm of NH3) in 15 days. Herein, the obtained results could help to accelerate the development of ammonia gas sensor.

  8. A novel paramyxean parasite, Marteilia octospora n. sp. (Cercozoa) infecting the Grooved Razor Shell clam Solen marginatus from Galicia (NW Spain).

    Science.gov (United States)

    Ruiz, Maite; López, Carmen; Lee, Ren-Shiang; Rodríguez, Rosana; Darriba, Susana

    2016-03-01

    Protozoan parasites of the genus Marteilia have been detected in marine bivalves and other invertebrates around the world, associated in some cases with mass mortalities. The present paper reports the characterization of the Marteilia sp. protozoan infecting the digestive gland of the Grooved Razor Shell clam (Solen marginatus) from Galicia (NW Spain), proposing a novel species in the genus: Marteilia octospora n. sp. Morphological and molecular techniques were used for the description of this parasite. Tissue imprints were essential in the study to confirm the presence of 8 spores per sporangium, a number never reported in other species from this genus. An ultrastructural study revealed that the size and number of dense granules, free in the mature sporangia, were quite different from granules in other Marteilia spp. Another morphological difference is the absence of a layer of concentric membranes found surrounding the mature spore in other species. In addition, concentric membranous structures observed in the different stages of the parasite have never been mentioned in other species of genus Marteilia. Moreover, molecular analysis of the rDNA intergenic spacer (IGS) and the internal transcribed spacer (ITS-1) showed differences with the sequences available for other Marteilia spp. Copyright © 2016 Elsevier Inc. All rights reserved.

  9. Waltzing route toward double-helix formation in cholesteric shells

    Science.gov (United States)

    Darmon, Alexandre; Benzaquen, Michael; Seč, David; Čopar, Simon; Dauchot, Olivier; Lopez-Leon, Teresa

    2016-01-01

    Liquid crystals, when confined to a spherical shell, offer fascinating possibilities for producing artificial mesoscopic atoms, which could then self-assemble into materials structured at a nanoscale, such as photonic crystals or metamaterials. The spherical curvature of the shell imposes topological constraints in the molecular ordering of the liquid crystal, resulting in the formation of defects. Controlling the number of defects, that is, the shell valency, and their positions, is a key success factor for the realization of those materials. Liquid crystals with helical cholesteric order offer a promising, yet unexplored way of controlling the shell defect configuration. In this paper, we study cholesteric shells with monovalent and bivalent defect configurations. By bringing together experiments and numerical simulations, we show that the defects appearing in these two configurations have a complex inner structure, as recently reported for simulated droplets. Bivalent shells possess two highly structured defects, which are composed of a number of smaller defect rings that pile up through the shell. Monovalent shells have a single radial defect, which is composed of two nonsingular defect lines that wind around each other in a double-helix structure. The stability of the bivalent configuration against the monovalent one is controlled by c = h/p, where h is the shell thickness and p the cholesteric helical pitch. By playing with the shell geometry, we can trigger the transition between the two configurations. This transition involves a fascinating waltz dynamics, where the two defects come closer while turning around each other. PMID:27493221

  10. Shell evolution of stable N = 50-56 Zr and Mo nuclei with respect to low-lying octupole excitations

    Energy Technology Data Exchange (ETDEWEB)

    Gregor, E.T.; Scheck, M.; Chapman, R.; Gaffney, L.P.; Keatings, J.; Mashtakov, K.R.; O' Donnell, D.; Smith, J.F.; Spagnoletti, P.; Wiseman, C. [University of the West of Scotland, School of Engineering and Computing, Paisley (United Kingdom); SUPA, Scottish Universities Physics Alliance, Glasgow (United Kingdom); Thuerauf, M.; Werner, V. [Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany)

    2017-03-15

    For the N = 50-56 zirconium (Z = 40) and molybdenum (Z = 42) isotopes, the evolution of subshells is evaluated by extracting the effective single-particle energies from available particle-transfer data. The extracted systematic evolution of neutron subshells and the systematics of the excitation energy of the octupole phonons provide evidence for type-II shape coexistence in the Zr isotopes. Employing a simplistic approach, the relative effective single-particle energies are used to estimate whether the formation of low-lying octupole-isovector excitations is possible at the proposed energies. The results raise doubts about this assignment. (orig.)

  11. Calculated Entropies for n-Heptane, 2-Methylhexane, 2,3-Dimethylpentane, and Radicals from the Loss of H Atoms

    Directory of Open Access Journals (Sweden)

    Jason M. Hudzik

    2013-01-01

    Full Text Available Entropy data are reported using different calculation methods for internal rotors on n-heptane, 2-methylhexane, and 2,3-dimethylpentane and on the different radical sites of each species corresponding to the loss of a hydrogen atom for temperatures between 298 and 1500 K. Structures, moments of inertia, vibration frequencies, and internal rotor potentials are calculated at the B3LYP/6-31G(d,p level of theory. Comparisons with experimental literature data suggest limitations inuse of the rigid-rotor harmonic-oscillator (HO approximation and advantages to the use of internal rotation contributions for entropy relative to torsion frequencies. The comparisons suggest the need to include contributions from all internal rotors where the barriers are at or below those of the above molecules. Calculation of entropy from the use of internal rotor contributions provides acceptable approximations to available literature values. Entropy values for radicals corresponding to carbon sites on these hydrocarbons are presented.

  12. Treatment surfaces with atomic oxygen excited in dielectric barrier discharge plasma of O2 admixed to N2

    Directory of Open Access Journals (Sweden)

    E. V. Shun'ko

    2012-06-01

    Full Text Available This paper describes the increase in surface energy of substrates by their treatment with gas composition generated in plasmas of DBD (Dielectric Barrier Discharge in O2 admixed with N2. Operating gas dissociation and excitation was occurred in plasmas developed in two types of reactors of capacitively-coupled dielectric barrier configurations: coaxial cylindrical, and flat rectangular. The coaxial cylindrical type comprised an inner cylindrical electrode encapsulated in a ceramic sheath installed coaxially inside a cylindrical ceramic (quartz tube passing through an annular outer electrode. Components of the flat rectangular type were a flat ceramic tube of a narrow rectangular cross section supplied with two flat electrodes mounted against one another outside of the long parallel walls of this tube. The operating gas, mixture of N2 and O2, was flowing in a completely insulated discharge gap formed between insulated electrodes of the devices with an average velocity of gas inlet of about 7 to 9 m/s. Dielectric barrier discharge plasma was excited in the operating gaps with a bipolar pulse voltage of about 6 kV for 2 ms at 50 kHz repetition rate applied to the electrodes of the coaxial device, and of about 14 kV for 7 ms at 30 kHz repetition rate for the flat linear device. A lifetime of excited to the 2s22p4(1S0 state in DBD plasma and streaming to the surfaces with a gas flow atomic oxygen, responsible presumably for treating surfaces, exceeded 10 ms in certain cases, that simplified its separation from DBD plasma and delivery to substrates. As it was found in particular, surfaces of glass and some of polymers revealed significant enhancement in wettability after treatment.

  13. Fluctuating shells under pressure

    Science.gov (United States)

    Paulose, Jayson; Vliegenthart, Gerard A.; Gompper, Gerhard; Nelson, David R.

    2012-01-01

    Thermal fluctuations strongly modify the large length-scale elastic behavior of cross-linked membranes, giving rise to scale-dependent elastic moduli. Whereas thermal effects in flat membranes are well understood, many natural and artificial microstructures are modeled as thin elastic shells. Shells are distinguished from flat membranes by their nonzero curvature, which provides a size-dependent coupling between the in-plane stretching modes and the out-of-plane undulations. In addition, a shell can support a pressure difference between its interior and its exterior. Little is known about the effect of thermal fluctuations on the elastic properties of shells. Here, we study the statistical mechanics of shape fluctuations in a pressurized spherical shell, using perturbation theory and Monte Carlo computer simulations, explicitly including the effects of curvature and an inward pressure. We predict novel properties of fluctuating thin shells under point indentations and pressure-induced deformations. The contribution due to thermal fluctuations increases with increasing ratio of shell radius to thickness and dominates the response when the product of this ratio and the thermal energy becomes large compared with the bending rigidity of the shell. Thermal effects are enhanced when a large uniform inward pressure acts on the shell and diverge as this pressure approaches the classical buckling transition of the shell. Our results are relevant for the elasticity and osmotic collapse of microcapsules. PMID:23150558

  14. Atomic polarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Safronova, M. S. [Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Mitroy, J. [School of Engineering, Charles Darwin University, Darwin NT 0909 (Australia); Clark, Charles W. [Joint Quantum Institute, National Institute of Standards and Technology and the University of Maryland, Gaithersburg, Maryland 20899-8410 (United States); Kozlov, M. G. [Petersburg Nuclear Physics Institute, Gatchina 188300 (Russian Federation)

    2015-01-22

    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.

  15. Atomic Physics

    CERN Document Server

    Foot, Christopher J

    2007-01-01

    This text will thoroughly update the existing literature on atomic physics. Intended to accompany an advanced undergraduate course in atomic physics, the book will lead the students up to the latest advances and the applications to Bose-Einstein Condensation of atoms, matter-wave inter-ferometry and quantum computing with trapped ions. The elementary atomic physics covered in the early chapters should be accessible to undergraduates when they are first introduced to the subject. To complement. the usual quantum mechanical treatment of atomic structure the book strongly emphasizes the experimen

  16. Investigating compositional effects of atomic layer deposition ternary dielectric Ti-Al-O on metal-insulator-semiconductor heterojunction capacitor structure for gate insulation of InAlN/GaN and AlGaN/GaN

    Energy Technology Data Exchange (ETDEWEB)

    Colon, Albert; Stan, Liliana; Divan, Ralu; Shi, Junxia

    2016-11-01

    Gate insulation/surface passivation in AlGaN/GaN and InAlN/GaN heterojunction field-effect transistors is a major concern for passivation of surface traps and reduction of gate leakage current. However, finding the most appropriate gate dielectric materials is challenging and often involves a compromise of the required properties such as dielectric constant, conduction/valence band-offsets, or thermal stability. Creating a ternary compound such as Ti-Al-O and tailoring its composition may result in a reasonably good gate material in terms of the said properties. To date, there is limited knowledge of the performance of ternary dielectric compounds on AlGaN/GaN and even less on InAlN/GaN. To approach this problem, the authors fabricated metal-insulator-semiconductor heterojunction (MISH) capacitors with ternary dielectrics Ti-Al-O of various compositions, deposited by atomic layer deposition (ALD). The film deposition was achieved by alternating cycles of TiO2 and Al2O3 using different ratios of ALD cycles. TiO2 was also deposited as a reference sample. The electrical characterization of the MISH capacitors shows an overall better performance of ternary compounds compared to the pure TiO2. The gate leakage current density decreases with increasing Al content, being similar to 2-3 orders of magnitude lower for a TiO2:Al2O3 cycle ratio of 2:1. Although the dielectric constant has the highest value of 79 for TiO2 and decreases with increasing the number of Al2O3 cycles, it is maintaining a relatively high value compared to an Al2O3 film. Capacitance voltage sweeps were also measured in order to characterize the interface trap density. A decreasing trend in the interface trap density was found while increasing Al content in the film. In conclusion, our study reveals that the desired high-kappa properties of TiO2 can be adequately maintained while improving other insulator performance factors. The ternary compounds may be an excellent choice as a gate material for both

  17. Straightforward synthesis of bimetallic Co/Pt nanoparticles in ionic liquid: atomic rearrangement driven by reduction-sulfidation processes and Fischer-Tropsch catalysis.

    Science.gov (United States)

    Silva, Dagoberto O; Luza, Leandro; Gual, Aitor; Baptista, Daniel L; Bernardi, Fabiano; Zapata, Maximiliano J M; Morais, Jonder; Dupont, Jairton

    2014-08-07

    Unsupported bimetallic Co/Pt nanoparticles (NPs) of 4.4 ± 1.9 nm can be easily obtained by a simple reaction of [bis(cylopentadienyl)cobalt(ii)] and [tris(dibenzylideneacetone) bisplatinum(0)] complexes in 1-n-butyl-3-methylimidazolium hexafluorophosphate IL at 150 °C under hydrogen (10 bar) for 24 h. These bimetallic NPs display core-shell like structures in which mainly Pt composes the external shell and its concentration decreases in the inner-shells (CoPt3@Pt-like structure). XPS and EXAFS analyses show the restructuration of the metal composition at the NP surface when they are subjected to hydrogen and posterior H2S sulfidation, thus inducing the migration of Co atoms to the external shells of the bimetallic NPs. Furthermore, the isolated bimetallic NPs are active catalysts for the Fischer-Tropsch synthesis, with selectivity for naphtha products.

  18. Synthesis and detection the oxidization of Co cores of Co@SiO2 core-shell nanoparticles by in situ XRD and EXAFS.

    Science.gov (United States)

    Zhang, Kunhao; Zhao, Ziyan; Wu, Zhonghua; Zhou, Ying

    2015-01-01

    In this paper, the Co@SiO2 core-shell nanoparticles were prepared by the sol-gel method. The oxidization of Co core nanoparticles was studied by the synchrotron radiation-based techniques including in situ X-ray diffraction (XRD) and X-ray absorption fine structure (XAFS) up to 800°C in air and N2 protection conditions, respectively. It was found that the oxidization of Co cores is undergoing three steps regardless of being in air or in N2 protection condition. In the first step ranging from room temperature to 200°C, the Co cores were dominated by Co(0) state as well as small amount of Co(2+) ions. When temperature was above 300°C, the interface between Co cores and SiO2 shells was gradually oxidized into Co(2+), and the CoO layer was observed. As the temperature increasing to 800°C, the Co cores were oxidized to Co3O4 or Co3O4/CoO. Nevertheless, the oxidization kinetics of Co cores is different for the Co@SiO2 in air and N2 gas conditions. Generally, the O2 in the air could get through the SiO2 shells easily onto the Co core surface and induce the oxidization of the Co cores due to the mesoporous nature of the SiO2 shells. However, in N2 gas condition, the O atoms can only be from the SiO2 shells, so the diffusion effect of O atoms in the interface between Co core and SiO2 shell plays a key role.

  19. Effect of surface pretreatment on interfacial chemical bonding states of atomic layer deposited ZrO{sub 2} on AlGaN

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Gang; Arulkumaran, Subramaniam; Ng, Geok Ing; Li, Yang; Ang, Kian Siong [School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Wang, Hong, E-mail: ewanghong@ntu.edu.sg [School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798, Singapore and CINTRA CNRS/NTU/Thales, UMI 3288, 50 Nanyang Drive, Singapore 637553 (Singapore); Ng, Serene Lay Geok; Ji, Rong [Data Storage Institute, Agency for Science Technology and Research (A-STAR), 5 Engineering Drive 1, Singapore 117608 (Singapore); Liu, Zhi Hong [Singapore-MIT Alliance for Research and Technology, 1 CREATE Way, Singapore 138602 (Singapore)

    2015-09-15

    Atomic layer deposition (ALD) of ZrO{sub 2} on native oxide covered (untreated) and buffered oxide etchant (BOE) treated AlGaN surface was analyzed by utilizing x-ray photoelectron spectroscopy (XPS) and high-resolution transmission electron microscopy. Evidenced by Ga–O and Al–O chemical bonds by XPS, parasitic oxidation during deposition is largely enhanced on BOE treated AlGaN surface. Due to the high reactivity of Al atoms, more prominent oxidation of Al atoms is observed, which leads to thicker interfacial layer formed on BOE treated surface. The results suggest that native oxide on AlGaN surface may serve as a protecting layer to inhibit the surface from further parasitic oxidation during ALD. The findings provide important process guidelines for the use of ALD ZrO{sub 2} and its pre-ALD surface treatments for high-k AlGaN/GaN metal–insulator–semiconductor high electron mobility transistors and other related device applications.

  20. Ultracold atoms on atom chips

    DEFF Research Database (Denmark)

    Krüger, Peter; Hofferberth, S.; Haller, E.

    2005-01-01

    Miniaturized potentials near the surface of atom chips can be used as flexible and versatile tools for the manipulation of ultracold atoms on a microscale. The full scope of possibilities is only accessible if atom-surface distances can be reduced to microns. We discuss experiments in this regime...

  1. Delay in atomic photoionization

    CERN Document Server

    Kheifets, A S

    2010-01-01

    We analyze the time delay between emission of photoelectrons from the outer valence $ns$ and $np$ sub-shells in noble gas atoms following absorption of an attosecond XUV pulse. By solving the time dependent Schr\\"odinger equation and carefully examining the time evolution of the photoelectron wave packet, we establish the apparent "time zero" when the photoelectron leaves the atom. Various processes such as elastic scattering of the photoelectron on the parent ion and many-electron correlation affect the quantum phase of the dipole transition matrix element, the energy dependence of which defines the emission timing. This qualitatively explains the time delay between photoemission from the $2s$ and $2p$ sub-shells of Ne as determined experimentally by attosecond streaking [{\\em Science} {\\bf 328}, 1658 (2010)]. However, with our extensive numerical modeling, we were only able to account for less than a half of the measured time delay of $21\\pm5$~as. We argue that the XUV pulse alone cannot produce such a larg...

  2. Shell-like structures

    CERN Document Server

    Altenbach, Holm

    2011-01-01

    In this volume, scientists and researchers from industry discuss the new trends in simulation and computing shell-like structures. The focus is put on the following problems: new theories (based on two-dimensional field equations but describing non-classical effects), new constitutive equations (for materials like sandwiches, foams, etc. and which can be combined with the two-dimensional shell equations), complex structures (folded, branching and/or self intersecting shell structures, etc.) and shell-like structures on different scales (for example: nano-tubes) or very thin structures (similar

  3. Evaluation of AlGaN/GaN metal-oxide-semicondutor high-electron mobility transistors with plasma-enhanced atomic layer deposition HfO2/AlN date dielectric for RF power applications

    Science.gov (United States)

    Chiu, Yu Sheng; Luc, Quang Ho; Lin, Yueh Chin; Chien Huang, Jui; Dee, Chang Fu; Yeop Majlis, Burhanuddin; Chang, Edward Yi

    2017-09-01

    A plasma enhanced atomic layer deposition (PEALD) HfO2/AlN dielectric stack was used as the gate dielectric for AlGaN/GaN metal-oxide-semiconductor high-electron-mobility transistors (MOS-HEMTs) for high-frequency power device applications. The capacitance-voltage (C-V) curves of the HfO2/AlN/GaN MOS capacitor (MOSCAP) showed a small frequency dispersion along with a very small hysteresis (˜50 mV). Moreover, the interface trap density (D it) was calculated to be 2.7 × 1011 cm-2 V-1 s-1 at 150 °C. Using PEALD-AlN as the interfacial passivation layer (IPL), the drain current of the HfO2/AlN MOS-HEMTs increased by about 46% and the gate leakage current decreased by six orders of magnitude as compared with those of the conventional Schottky gate AlGaN/GaN HEMTs processed using the same epitaxial wafer. The 0.3-µm-gate-length HfO2/AlN/AlGaN/GaN MOS-HEMTs demonstrated a 2.88 W/mm output power, a 23 dB power gain, a 30.2% power-added efficiency at 2.4 GHz, and an improved device linearity as compared with the conventional AlGaN/GaN HEMTs. The third-order intercept point at the output (OIP3) of the MOS-HEMTs was 28.4 as compared with that of 26.5 for the conventional GaN HEMTs. Overall, the MOS-HEMTs with a HfO2/AlN gate stack showed good potential for high-linearity RF power device applications.

  4. Stress domains in Si(111)/a-Si3N4 nanopixel: ten-million-atom molecular dynamics simulations on parallel computers

    Science.gov (United States)

    Omeltchenko; Bachlechner; Nakano; Kalia; Vashishta; Ebbsjo; Madhukar; Messina

    2000-01-10

    Parallel molecular dynamics simulations are performed to determine atomic-level stresses in Si(111)/Si(3)N4(0001) and Si(111)/a-Si3N4 nanopixels. Compared to the crystalline case, the stresses in amorphous Si3N4 are highly inhomogeneous in the plane of the interface. In silicon below the interface, for a 25 nm square mesa stress domains with triangular symmetry are observed, whereas for a rectangular, 54 nmx33 nm, mesa tensile stress domains ( approximately 300 A) are separated by Y-shaped compressive domain wall. Maximum stresses in the domains and domain walls are -2 GPa and +2 GPa, respectively.

  5. Oxidative atom-transfer to a trimanganese complex to form Mn6(μ6-E) (E = O, N) clusters featuring interstitial oxide and nitride functionalities.

    Science.gov (United States)

    Fout, Alison R; Zhao, Qinliang; Xiao, Dianne J; Betley, Theodore A

    2011-10-26

    Utilizing a hexadentate ligand platform, a trinuclear manganese complex of the type ((H)L)Mn(3)(thf)(3) was synthesized and characterized ([(H)L](6-) = [MeC(CH(2)N(C(6)H(4)-o-NH))(3)](6-)). The pale-orange, formally divalent trimanganese complex rapidly reacts with O-atom transfer reagents to afford the μ(6)-oxo complex ((H)L)(2)Mn(6)(μ(6)-O)(NCMe)(4), where two trinuclear subunits bind the central O-atom and the ((H)L) ligands cooperatively bind both trinuclear subunits. The trimanganese complex ((H)L)Mn(3)(thf)(3) rapidly consumes inorganic azide ([N(3)]NBu(4)) to afford a dianionic hexanuclear nitride complex [((H)L)(2)Mn(6)(μ(6)-N)](NBu(4))(2), which subsequently can be oxidized with elemental iodine to ((H)L)(2)Mn(6)(μ(6)-N)(NCMe)(4). EPR and alkylation of the interstitial light atom substituent were used to distinguish the nitride from the oxo complex. The oxo and oxidized nitride complexes give rise to well-defined Mn(II) and Mn(III) sites, determined by bond valence summation, while the dianionic nitride shows a more symmetric complex, giving rise to indistinguishable ion oxidation states based on crystal structure bond metrics.

  6. Impact of post-deposition annealing on interfacial chemical bonding states between AlGaN and ZrO{sub 2} grown by atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Gang; Arulkumaran, Subramaniam; Ng, Geok Ing; Li, Yang; Ang, Kian Siong [Novitas, Nanoelectronics Center of Excellence, School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Wang, Hong, E-mail: ewanghong@ntu.edu.sg [Novitas, Nanoelectronics Center of Excellence, School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); CINTRA CNRS/NTU/Thales, UMI 3288, 50 Nanyang Drive (Singapore); Ng, Serene Lay Geok; Ji, Rong [Data Storage Institute, Agency for Science Technology and Research (A-STAR), 5 Engineering Drive 1, 117608 (Singapore); Liu, Zhi Hong [Singapore-MIT Alliance for Research and Technology, 1 CREATE Way, Singapore 138602 (Singapore)

    2015-03-02

    The effect of post-deposition annealing on chemical bonding states at interface between Al{sub 0.5}Ga{sub 0.5}N and ZrO{sub 2} grown by atomic layer deposition (ALD) is studied by angle-resolved x-ray photoelectron spectroscopy and high-resolution transmission electron microscopy. It has been found that both of Al-O/Al 2p and Ga-O/Ga 3d area ratio decrease at annealing temperatures lower than 500 °C, which could be attributed to “clean up” effect of ALD-ZrO{sub 2} on AlGaN. Compared to Ga spectra, a much larger decrease in Al-O/Al 2p ratio at a smaller take-off angle θ is observed, which indicates higher effectiveness of the passivation of Al-O bond than Ga-O bond through “clean up” effect near the interface. However, degradation of ZrO{sub 2}/AlGaN interface quality due to re-oxidation at higher annealing temperature (>500 °C) is also found. The XPS spectra clearly reveal that Al atoms at ZrO{sub 2}/AlGaN interface are easier to get oxidized as compared with Ga atoms.

  7. Analysis of compositional uniformity in Al{sub x}Ga{sub 1−x}N thin films using atom probe tomography and electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Fang; Huang, Li; Porter, Lisa M.; Davis, Robert F., E-mail: rfd@andrew.cmu.edu [Department of Materials Science and Engineering, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, Pennsylvania 15213 (United States); Schreiber, Daniel K. [Energy and Environment Directorate, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352 (United States)

    2016-07-15

    Calculated frequency distributions of atom probe tomography reconstructions (∼80 nm field of view) of very thin Al{sub x}Ga{sub 1−x}N (0.18 ≤ x ≤ 0.51) films grown via metalorganic vapor phase epitaxy on both (0001) GaN/AlN/SiC and (0001) GaN/sapphire heterostructures revealed homogeneous concentrations of Al and chemically abrupt Al{sub x}Ga{sub 1−x}N/GaN interfaces. The results of scanning transmission electron microscopy and selected area diffraction corroborated these results and revealed that neither superlattice ordering nor phase separation was present at nanometer length scales.

  8. 1,3-Ninhydrin dihydrazone featuring an R4(4)(12) motif with 4 symmetry and comprising only N and H atoms.

    Science.gov (United States)

    Blake, Alexander J; Chebude, Yonas; Tadesse, Haregewine; Wondimu, Berhanu

    2012-09-01

    In the title compound [systematic name: (1Z,3Z)-1,3-dihydrazinylidene-1H-inden-2(3H)-one], C(9)H(8)N(4)O, isolated molecules possess approximate noncrystallographic C(2v) symmetry and their cis conformation and planarity are assisted by a pair of short intramolecular N-H···O hydrogen bonds. Each molecule is asymmetrically involved in an extensive three-dimensional network of N-H···O and N-H···N hydrogen bonds, and the structure also exhibits weaker π-π and C=O···C interactions. The structure features an R(4)(4)(12) motif consisting solely of N and H atoms and possessing crystallographic 4 symmetry.

  9. Absolute ground-state nitrogen atom density in a N{sub 2}/CH{sub 4} late afterglow: TALIF experiments and modelling studies

    Energy Technology Data Exchange (ETDEWEB)

    Es-sebbar, Et; C-Gazeau, M; Benilan, Y; Jolly, A [LISA, Universites Paris-Est Creteil Val de Marne (UPEC) and Paris Denis Diderot, CNRS-UMR 7583, 61, avenue du General de Gaulle, 94010 Creteil Cedex (France); Pintassilgo, C D, E-mail: essebbar@lisa.univ-paris12.f [Instituto de Plasmas e Fusao Nuclear-Laboratorio Associado, Instituto Superior Tecnico, 1049-001 Lisboa (Portugal)

    2010-08-25

    Following a first study on a late afterglow in flowing pure nitrogen post discharge, we report new two-photon absorption laser-induced fluorescence (TALIF) measurements of the absolute ground-state atomic nitrogen density N({sup 4}S) and investigate the influence of methane introduced downstream from the discharge by varying the CH{sub 4} mixing ratio from 0% up to 50%. The N ({sup 4}S) maximum density is about 2.2 x 10{sup 15} cm{sup -3} in pure N{sub 2} for a residence time of 22 ms and does not change significantly for methane mixing ratio up to {approx}15%, while above, a drastic decrease is observed. The influence of the residence time has been studied. A kinetic model has been developed to determine the elementary processes responsible for the evolution of the N ({sup 4}S) density in N{sub 2}/CH{sub 4} late afterglow. This model shows the same decrease as the experimental results even though absolute density values are always larger by about a factor of 3. In the late afterglow three-body recombination dominates the loss of N ({sup 4}S) atoms whatever the CH{sub 4} mixing ratio. For high CH{sub 4} mixing ratio, the destruction process through collisions with CH{sub 3}, H{sub 2}CN and NH becomes important and is responsible for the observed decrease of the N ({sup 4}S) density.

  10. Atomic and Molecular Physics Program

    Science.gov (United States)

    2013-03-05

    Atomic Quantum Memories in Nano-Scale Optical Circuits: Jeff Kimble, Oskar Painter (CalTech) • Demonstration of a nanofiber atom trap: A. Goban...et al, Phys. Rev. Lett. 109, 033603 (2012) • Cavity QED with atomic mirrors: D. Chang, et al, N. J. Phys. 14, 063003 (2012) • Fiber -coupled chip... PMMA -diamond hybrid cavities, coupling stable NV centers • Cavity Optomechanics with Cold Atoms: Dan Stamper-Kurn (UC Berkeley) • Squeezed light

  11. SHELL ISOTOPE GEOCHEMISTRY

    African Journals Online (AJOL)

    Valley. Although fossil specimens of this subspecies have been used in palaeoclimatic reconstruction, there have been no previous reports of living examples. Here We describe the local habitat, climate and some aspects of ecology and isotopic variation within the snail shell. If isotope data can be obtained for fossil shells, ...

  12. Learning the Bash Shell

    CERN Document Server

    Newham, Cameron

    2005-01-01

    This refreshed edition serves as the most valuable guide yet to the bash shell. It's full of practical examples of shell commands and programs guaranteed to make everyday use of Linux that much easier. Includes information on key bindings, command line editing and processing, integrated programming features, signal handling, and much more!

  13. From hollow olive-shaped BiVO4 to n-p core-shell BiVO4@Bi2O3 microspheres: controlled synthesis and enhanced visible-light-responsive photocatalytic properties.

    Science.gov (United States)

    Guan, Mei-Li; Ma, De-Kun; Hu, Sheng-Wei; Chen, Yan-Jun; Huang, Shao-Ming

    2011-02-07

    In this study, hollow olive-shaped BiVO(4) and n-p core-shell BiVO(4)@Bi(2)O(3) microspheres were synthesized by a novel sodium bis(2-ethylhexyl)sulfosuccinate (AOT)-assisted mixed solvothermal route and a thermal solution of NaOH etching process under hydrothermal conditions for the first time, respectively. The as-obtained products were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy, Brunauer-Emmett-Teller surface area, and UV-vis diffuse-reflectance spectroscopy in detail. The influence of AOT and solvent ratios on the final products was studied. On the basis of SEM observations and XRD analyses of the samples synthesized at different reaction stages, the formation mechanism of hollow olive-shaped BiVO(4) microspheres was proposed. The photocatalytic activities of hollow olive-shaped BiVO(4) and core-shell BiVO(4)@Bi(2)O(3) microspheres were evaluated on the degradation of rhodamine B under visible-light irradiation (λ > 400 nm). The results indicated that core-shell BiVO(4)@Bi(2)O(3) exhibited much higher photocatalytic activities than pure olive-shaped BiVO(4). The mechanism of enhanced photocatalytic activity of core-shell BiVO(4)@Bi(2)O(3) microspheres was discussed on the basis of the calculated energy band positions as well. The present study provides a new strategy to enhancing the photocatalytic activity of visible-light-responsive Bi-based photocatalysts by p-n heterojunction.

  14. Pulsed laser deposited porous nano-carpets of indium tin oxide and their use as charge collectors in core-shell structures for dye sensitized solar cells

    Science.gov (United States)

    Garvey, Timothy R.; Farnum, Byron H.; Lopez, Rene

    2015-01-01

    Porous In2O3:Sn (ITO) films resembling from brush carpets to open moss-like discrete nanostructures were grown by pulsed laser deposition under low to high background gas pressures, respectively. The charge transport properties of these mesoporous substrates were probed by pulsed laser photo-current and -voltage transient measurements in N719 dye sensitized devices. Although the cyclic voltammetry and dye adsorption measurements suggest a lower proportion of electro-active dye molecules for films deposited at the high-end background gas pressures, the transient measurements indicate similar electron transport rates within the films. Solar cell operation was achieved by the deposition of a conformal TiO2 shell layer by atomic layer deposition (ALD). Much of the device improvement was shown to be due to the TiO2 shell blocking the recombination of photoelectrons with the electrolyte as recombination lifetimes increased drastically from a few seconds in uncoated ITO to over 50 minutes in the ITO with a TiO2 shell layer. Additionally, an order of magnitude increase in the electron transport rate in ITO/TiO2 (core/shell) films was observed, giving the core-shell structure a superior ratio of recombination/transport times.Porous In2O3:Sn (ITO) films resembling from brush carpets to open moss-like discrete nanostructures were grown by pulsed laser deposition under low to high background gas pressures, respectively. The charge transport properties of these mesoporous substrates were probed by pulsed laser photo-current and -voltage transient measurements in N719 dye sensitized devices. Although the cyclic voltammetry and dye adsorption measurements suggest a lower proportion of electro-active dye molecules for films deposited at the high-end background gas pressures, the transient measurements indicate similar electron transport rates within the films. Solar cell operation was achieved by the deposition of a conformal TiO2 shell layer by atomic layer deposition (ALD). Much

  15. K-shell photoabsorption and photoionization of trace elements. II. Isoelectronic sequences with electron number 12 ≤N ≤ 18

    Science.gov (United States)

    Mendoza, C.; Bautista, M. A.; Palmeri, P.; Quinet, P.; Witthoeft, M. C.; Kallman, T. R.

    2017-08-01

    Context. We are concerned with improving the diagnostic potential of the K lines and edges of elements with low cosmic abundances, namely F, Na, P, Cl, K, Sc, Ti, V, Cr, Mn, Co, Cu, and Zn, that are observed in the X-ray spectra of supernova remnants, galaxy clusters, and accreting black holes and neutron stars. Aims: Since accurate photoabsorption and photoionization cross sections are needed in their spectral models, they have been computed for isoelectronic sequences with electron number 12 ≤ N ≤ 18 using a multi-channel method. Methods: Target representations are obtained with the atomic structure code autostructure, and ground-state cross sections are computed with the Breit-Pauli R-matrix method (bprm) in intermediate coupling, including damping (radiative and Auger) effects. Results: Following the findings in our earlier work on sequences with 2 ≤ N ≤ 11, the contributions from channels associated with the 2s-hole [2s] μ target configurations and those containing 3d orbitals are studied in the Mg (N = 12) and Ar (N = 18) isoelectronic sequences. Cross sections for the latter ions are also calculated in the isolated-resonance approximation as implemented in autostructure and compared with bprm to test their accuracy. Conclusions: It is confirmed that the collisional channels associated with the [2s] μ target configurations must be taken into account owing to significant increases in the monotonic background cross section between the L and K edges. Target configurations with 3d orbitals give rise to fairly conspicuous unresolved transition arrays in the L-edge region, but to a much lesser extent in the K-edge that is our main concern; therefore, they have been neglected throughout owing to their computationally intractable channel inventory, thus allowing the computation of cross sections for all the ions with 12 ≤ N ≤ 18 in intermediate coupling with bprm. We find that the isolated-resonance approximations performs satisfactorily and will be our

  16. An absolute- and relative-rate study of the gas-phase reaction of OH radicals and Cl atoms with n-alkyl nitrates

    DEFF Research Database (Denmark)

    Nielsen, O.J.; Sidebottom, H.W.; Donlon, M.

    1991-01-01

    Rate constants for the reactions of OH radicals and Cl atoms with CH3ONO2, C2H5ONO2, n-C3H7ONO2, n-C4H9ONO2, and n-C5H11ONO2 have been determined at 298 +/- 2 K and a total pressure of approximately 1 atm. The OH rate data were obtained using both the absolute-rate technique of pulse radiolysis...... combined with kinetic spectroscopy and a conventional photolytic relative-rate method. The Cl rate constants were measured using only the relative-rate method. Evidence is presented from the kinetic studies that reaction of OH radicals with alkyl nitrates may involve both addition and abstraction pathways....... The data show that the -ONO2 group substantially decreases the rate constant for H-atom abstraction by OH radicals from groups bonded to the -ONO2 group and also decreases that for groups in the beta-position. Similar results were found for the reaction of Cl atoms with these compounds. The results...

  17. L-shell radiative transition rates by selective synchrotron ionization

    Energy Technology Data Exchange (ETDEWEB)

    Bonetto, R D [Centro de Investigacion y Desarrollo en Ciencias Aplicadas Dr. Jorge J. Ronco, CONICET-UNLP, Calle 47 No. 257-Cc 59 (1900) La Plata (Argentina); Carreras, A C [Facultad de Matematica, AstronomIa y FIsica, Universidad Nacional de Cordoba, Ciudad Universitaria (5000) Cordoba (Argentina); Trincavelli, J [Facultad de Matematica, AstronomIa y FIsica, Universidad Nacional de Cordoba, Ciudad Universitaria (5000) Cordoba (Argentina); Castellano, G [Facultad de Matematica, AstronomIa y FIsica, Universidad Nacional de Cordoba, Ciudad Universitaria (5000) Cordoba (Argentina)

    2004-04-14

    Relative L-shell radiative transition rates were obtained for a number of decays in Gd, Dy, Er, Yb, Hf, Ta and Re by means of a method for refining atomic and experimental parameters involved in the spectral analysis of x-ray irradiated samples. For this purpose, pure samples were bombarded with monochromatic synchrotron radiation tuning the incident x-ray energy in order to allow selective ionization of the different atomic shells. The results presented are compared to experimental and theoretical values published by other authors. A good general agreement was found and some particular discrepancies are discussed.

  18. The shell coal gasification process

    Energy Technology Data Exchange (ETDEWEB)

    Koenders, L.O.M.; Zuideveld, P.O. [Shell Internationale Petroleum Maatschappij B.V., The Hague (Netherlands)

    1995-12-01

    Future Integrated Coal Gasification Combined Cycle (ICGCC) power plants will have superior environmental performance and efficiency. The Shell Coal Gasification Process (SCGP) is a clean coal technology, which can convert a wide range of coals into clean syngas for high efficiency electricity generation in an ICGCC plant. SCGP flexibility has been demonstrated for high-rank bituminous coals to low rank lignites and petroleum coke, and the process is well suited for combined cycle power generation, resulting in efficiencies of 42 to 46% (LHV), depending on choice of coal and gas turbine efficiency. In the Netherlands, a 250 MWe coal gasification combined cycle plant based on Shell technology has been built by Demkolec, a development partnership of the Dutch Electricity Generating Board (N.V. Sep). The construction of the unit was completed end 1993 and is now followed by start-up and a 3 year demonstration period, after that the plant will be part of the Dutch electricity generating system.

  19. Ground state instabilities of protein shells are eliminated by buckling.

    Science.gov (United States)

    Singh, Amit R; Perotti, Luigi E; Bruinsma, Robijn F; Rudnick, Joseph; Klug, William S

    2017-11-15

    We propose a hybrid discrete-continuum model to study the ground state of protein shells. The model allows for shape transformation of the shell and buckling transitions as well as the competition between states with different symmetries that characterize discrete particle models with radial pair potentials. Our main results are as follows. For large Föppl-von Kármán (FvK) numbers the shells have stable isometric ground states. As the FvK number is reduced, shells undergo a buckling transition resembling that of thin-shell elasticity theory. When the width of the pair potential is reduced below a critical value, then buckling coincides with the onset of structural instability triggered by over-stretched pair potentials. Chiral shells are found to be more prone to structural instability than achiral shells. It is argued that the well-width appropriate for protein shells lies below the structural instability threshold. This means that the self-assembly of protein shells with a well-defined, stable structure is possible only if the bending energy of the shell is sufficiently low so that the FvK number of the assembled shell is above the buckling threshold.

  20. Isolation of two N-monosubstituted protoporphyrins, bearing either the whole drug or a methyl group on the pyrrole nitrogen atom, from liver of mice given griseofulvin.

    Science.gov (United States)

    Holley, A E; Frater, Y; Gibbs, A H; De Matteis, F; Lamb, J H; Farmer, P B; Naylor, S

    1991-01-01

    1. A hepatic green pigment with inhibitory properties towards the enzyme ferrochelatase has been isolated from the liver of mice treated with griseofulvin and identified as N-methylprotoporphyrin. 2. All four structural isomers of N-methylprotoporphyrin have been demonstrated to be present, NA, where ring A of protoporphyrin IX is N-methylated, being the predominant isomer. 3. In addition to N-methylprotoporphyrin, a second green pigment, present in far greater amounts, was also isolated from the liver of griseofulvin-treated mice. This second green pigment is also an N-monosubstituted protoporphyrin, but in this case the substituent on the pyrrole nitrogen atom appears to be intact griseofulvin rather than a methyl group. 4. The fragmentation of this adduct in tandem m.s. studies suggests that griseofulvin is bound to the pyrrole nitrogen through one of its carbon atoms and further suggests that N-methylprotoporphyrin may arise as a secondary product from the major griseofulvin pigment. PMID:2012610

  1. Atomic physics

    CERN Document Server

    Born, Max

    1969-01-01

    The Nobel Laureate's brilliant exposition of the kinetic theory of gases, elementary particles, the nuclear atom, wave-corpuscles, atomic structure and spectral lines, electron spin and Pauli's principle, quantum statistics, molecular structure and nuclear physics. Over 40 appendices, a bibliography, numerous figures and graphs.

  2. Early Atomism

    Indian Academy of Sciences (India)

    http://www.ias.ac.in/article/fulltext/reso/015/10/0905-0925. Keywords. Atomic theory; Avogadro's hypothesis; atomic weights; periodic table; valence; molecular weights; molecular formula; isomerism. Author Affiliations. S Ramasesha1. Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, ...

  3. Prediction of Setschenow constants of N-heteroaromatics in NaCl solutions based on the partial charge on the heterocyclic nitrogen atom.

    Science.gov (United States)

    Yang, Bin; Li, Zhongjian; Lei, Lecheng; Sun, Feifei; Zhu, Jingke

    2016-02-01

    The solubilities of 19 different kinds of N-heteroaromatic compounds in aqueous solutions with different concentrations of NaCl were determined at 298.15 K with a UV-vis spectrophotometry and titration method, respectively. Setschenow constants, Ks, were employed to describe the solubility behavior, and it is found that the higher ring numbers of N-heteroaromatics gave rise to the lower values of Ks. Moreover, Ks showed a good linear relationship with the partial charge on the nitrogen atom (QN) for either QN > 0 or QN salting-out effect for N-heteroaromatics compared to the conventional descriptors such as molar volume (VH) and the octanol-water partition coefficient (Kow). The heterocyclic N in N-heteroaromatics may interact with Na(+) ions in NaCl solution for QN 0.

  4. Recognizing nitrogen dopant atoms in graphene using atomic force microscopy

    DEFF Research Database (Denmark)

    van der Heijden, Nadine J.; Smith, Daniel; Calogero, Gaetano

    2016-01-01

    Doping graphene by heteroatoms such as nitrogen presents an attractive route to control the position of the Fermi level in the material. We prepared N-doped graphene on Cu(111) and Ir(111) surfaces via chemical vapor deposition of two different molecules. Using scanning tunneling microscopy images...... as a benchmark, we show that the position of the dopant atoms can be determined using atomic force microscopy. Specifically, the frequency shift-distance curves Delta f(z) acquired above a N atom are significantly different from the curves measured over a C atom. Similar behavior was found for N-doped graphene...

  5. Observation of double resonant laser induced transitions in the $v = n - l - 1 = 2$ metastable cascade of antiprotonic helium-4 atoms

    CERN Document Server

    Hayano, R S; Tamura, H; Torii, H A; Hori, Masaki; Maas, F E; Morita, N; Kumakura, M; Sugai, I; Hartmann, F J; Daniel, H; Von Egidy, T; Ketzer, B; Pohl, R; Horváth, D; Eades, John; Widmann, E; Yamazaki, T

    1997-01-01

    A new laser-induced resonant transition in the $v=n-l-1=2$ metastable cascade of antiprotonic $^4$He atoms has been found by using a double resonance technique. This was done by setting the first laser to the already known 470.724 nm resonance ($(n,l)=(37,34)\\rightarrow (36,33)$), while the $(38,35)\\rightarrow (37,34)$ transition was searched for with the second laser. The resonant transition was found at wavelength of 529.622$\\pm$0.003 nm, showing excellent agreement with a recent prediction of Korobov.

  6. Adhesive Forces between A1 Domain of von Willebrand Factor and N-terminus Domain of Glycoprotein Ibα Measured by Atomic Force Microscopy.

    Science.gov (United States)

    Tobimatsu, Hiroaki; Nishibuchi, Yuichiro; Sudo, Ryo; Goto, Shinya; Tanishita, Kazuo

    2015-01-01

    von Willebrand factor (VWF) plays an important role in the regulation of hemostasis and thrombosis formation, particularly under a high shear rate. However, the adhesive force due to the molecular interaction between VWF and glycoprotein Ibα (GPIbα) has not been fully explored. Thus, we employed atomic force microscopy to directly measure the adhesive force between VWF and GPIbα. We measured the adhesive force between VWF and GPIbα at the molecular level using an atomic force microscope (AFM). An AFM cantilever was coated with recombinant N-terminus VWF binding site of GPIbα, whereas a cover glass was coated with native VWF. The adhesive force at the molecular level was measured using an AFM. In the presence of 1 μg/mL VWF, the adhesion force was nearly 200 pN. As per the Gaussian fit analysis, the adhesive force of a single bond could have been 54 or 107 pN. Our consideration with the Gaussian fit analysis proposed that the adhesive force of a single bond could be 54 pN, which is very close to that obtained by optical tweezers (50 pN).

  7. Intermolecular dispersion interactions of normal alkanes with rare gas atoms: van der Waals complexes of n-pentane with helium, neon, and argon

    Energy Technology Data Exchange (ETDEWEB)

    Balabin, Roman M. [Gubkin Russian State University of Oil and Gas, 199991 Moscow (Russian Federation)], E-mail: balabin.r@gubkin.ru

    2008-09-03

    Interaction energies of normal pentane with three rare gas atoms (helium, neon, and argon) were calculated using ab initio methods: the second-order Moller-Plesset (MP2), the fourth-order Moller-Plesset (MP4), and coupled cluster with single and double substitutions with noniterative triple excitation (CCSD(T)) levels of theory. Dunning's correlation consistent basis sets up to aug-cc-pVQZ were applied. Eight profiles (246 points for each rare gas atom) of potential energy surface (PES) of all-trans (anti-anti) conformation of n-pentane were scanned. Optimal distances for complex formation were found. MP2 interaction energies at the basis set limit were evaluated by three different methods (Feller's, Helgaker's, and Martin's). The MP2 interaction energy at the basis set limit for a global minimum of n-pentane complex with argon was more than 400 cm{sup -1}, so formation of a stable complex (at least at low temperature) can be expected. A comparison with previously published data on propane complexes with rare gas atoms (both computational and experimental) was done. The MP4 level of theory was found to be sufficient for a description of C{sub 5}H{sub 12} complexes with helium, neon, and argon.

  8. Quantum information with Rydberg atoms

    DEFF Research Database (Denmark)

    Saffman, Mark; Walker, T.G.; Mølmer, Klaus

    2010-01-01

    Rydberg atoms with principal quantum number n»1 have exaggerated atomic properties including dipole-dipole interactions that scale as n4 and radiative lifetimes that scale as n3. It was proposed a decade ago to take advantage of these properties to implement quantum gates between neutral atom...... of multiqubit registers, implementation of robust light-atom quantum interfaces, and the potential for simulating quantum many-body physics. The advances of the last decade are reviewed, covering both theoretical and experimental aspects of Rydberg-mediated quantum information processing....

  9. Nuclear shell theory

    CERN Document Server

    de-Shalit, Amos; Massey, H S W

    1963-01-01

    Nuclear Shell Theory is a comprehensive textbook dealing with modern methods of the nuclear shell model. This book deals with the mathematical theory of a system of Fermions in a central field. It is divided into three parts. Part I discusses the single particle shell model. The second part focuses on the tensor algebra, two-particle systems. The last part covers three or more particle systems. Chapters on wave functions in a central field, tensor fields, and the m-Scheme are also presented. Physicists, graduate students, and teachers of nuclear physics will find the book invaluable.

  10. Comparison of HMOX1 expression and enzyme activity in blue-shelled chickens and brown-shelled chickens

    Directory of Open Access Journals (Sweden)

    ZhePeng Wang

    2013-01-01

    Full Text Available Blue egg coloring is attributed to biliverdin derived from the oxidative degradation of heme through catalysis by heme oxygenase (HO. The pigment is secreted into the eggshell by the shell gland. There is uncertainty as to whether the pigment is synthesized in the shell gland or in other tissues. To investigate the site of pigment biosynthesis, the expression of heme oxygenase (decycling 1 (HMOX1, a gene encoding HO, and HO activity in liver and spleen were compared between blue-shelled chickens (n=12 and brown-shelled chickens (n=12. There were no significant differences in HMOX1 expression and HO activity in these tissues between the two groups. Since the liver and spleen, two important sites outside the shell gland where heme is degraded into biliverdin, CO and Fe2+, did not differ in HO expression and activity we conclude that the pigment is most likely synthesized in the shell gland.

  11. Effect of N bonding structure in AlON deposited by plasma-assisted atomic layer deposition on electrical properties of 4H-SiC MOS capacitor

    Science.gov (United States)

    Takeuchi, Wakana; Yamamoto, Kensaku; Sakashita, Mitsuo; Nakatsuka, Osamu; Zaima, Sigeaki

    2018-01-01

    We have investigated the effects of the N bonding structure in an AlON layer deposited by plasma-assisted atomic layer deposition (ALD) on the electrical properties of a 4H-SiC MOS structure. The properties of defects in the AlON and SiO2 layers were investigated from the capacitance–voltage and current density–voltage (J–V) characteristics of AlON/SiO2/4H-SiC MOS structures. The density of negatively charged defects in the AlON layer decreases with increasing N content. We found that the leakage current decreases with increasing N content at a low-voltage region from J–V characteristics. The bonding structure in the AlON layer was characterized by X-ray photoelectron spectroscopy. The densities of Al–N and Al–O–N bonds in the AlON layer increase with the N content. In contrast, the density of Al–NO2 bonds decreases with increasing N content. We suggest that the decrease in the defect density in the AlON layer is related to the increasing number of Al–N and Al–O–N bonds. Thus, we concluded that it is important to form Al–N and Al–ON bonds in the AlON layer while suppressing the formation of Al–NO2 bonds.

  12. Lithography-free shell-substrate isolation for core-shell GaAs nanowires.

    Science.gov (United States)

    Haggren, Tuomas; Perros, Alexander Pyymaki; Jiang, Hua; Huhtio, Teppo; Kakko, Joona-Pekko; Dhaka, Veer; Kauppinen, Esko; Lipsanen, Harri

    2016-07-08

    A facile and scalable lithography-free technique(5) for the rapid construction of GaAs core-shell nanowires incorporating shell isolation from the substrate is reported. The process is based on interrupting NW growth and applying a thin spin-on-glass (SOG) layer to the base of the NWs and resuming core-shell NW growth. NW growth occurred in an atmospheric pressure metalorganic vapour phase epitaxy (MOVPE) system with gold nanoparticles used as catalysts for the vapour-liquid-solid growth. It is shown that NW axial core growth and radial shell growth can be resumed after interruption and even exposure to air. The SOG residues and native oxide layer that forms on the NW surface are shown to prevent or perturb resumption of epitaxial NW growth if not removed. Both HF etching and in situ annealing of the air-exposed NWs in the MOVPE were shown to remove the SOG residues and native oxide layer. While both procedures are shown capable of removing the native oxide and enabling resumption of epitaxial NW growth, in situ annealing produced the best results and allowed construction of pristine core-shell NWs. No growth occurred on SOG and it was observed that axial NW growth was more rapid when a SOG layer covered the substrate. The fabricated p-core/n-shell NWs exhibited diode behaviour upon electrical testing. The isolation of the NW shells from the substrate was confirmed by scanning electron microscopy and electrical measurements. The crystal quality of the regrown core-shell NWs was verified with a high resolution transmission electron microscope. The reported technique potentially provides a pathway using MOVPE for scalable and high-throughput production of shell-substrate isolated core-shell NWs on an industrial scale.

  13. Lithography-free shell-substrate isolation for core-shell GaAs nanowires

    Science.gov (United States)

    Haggren, Tuomas; Pyymaki Perros, Alexander; Jiang, Hua; Huhtio, Teppo; Kakko, Joona-Pekko; Dhaka, Veer; Kauppinen, Esko; Lipsanen, Harri

    2016-07-01

    A facile and scalable lithography-free technique5 for the rapid construction of GaAs core-shell nanowires incorporating shell isolation from the substrate is reported. The process is based on interrupting NW growth and applying a thin spin-on-glass (SOG) layer to the base of the NWs and resuming core-shell NW growth. NW growth occurred in an atmospheric pressure metalorganic vapour phase epitaxy (MOVPE) system with gold nanoparticles used as catalysts for the vapour-liquid-solid growth. It is shown that NW axial core growth and radial shell growth can be resumed after interruption and even exposure to air. The SOG residues and native oxide layer that forms on the NW surface are shown to prevent or perturb resumption of epitaxial NW growth if not removed. Both HF etching and in situ annealing of the air-exposed NWs in the MOVPE were shown to remove the SOG residues and native oxide layer. While both procedures are shown capable of removing the native oxide and enabling resumption of epitaxial NW growth, in situ annealing produced the best results and allowed construction of pristine core-shell NWs. No growth occurred on SOG and it was observed that axial NW growth was more rapid when a SOG layer covered the substrate. The fabricated p-core/n-shell NWs exhibited diode behaviour upon electrical testing. The isolation of the NW shells from the substrate was confirmed by scanning electron microscopy and electrical measurements. The crystal quality of the regrown core-shell NWs was verified with a high resolution transmission electron microscope. The reported technique potentially provides a pathway using MOVPE for scalable and high-throughput production of shell-substrate isolated core-shell NWs on an industrial scale.

  14. Growth kinetics for temperature-controlled atomic layer deposition of GaN using trimethylgallium and remote-plasma-excited NH{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Pansila, P. [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); Kanomata, K. [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); Japan Society for the Promotion of Science, 5-3-1 Kojimachi, Chiyoda-ku, Tokyo 102-0083 (Japan); Miura, M. [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); Ahmmad, B.; Kubota, S. [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); CREST, Japan Science and Technology Agency, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); Hirose, F., E-mail: fhirose@yz.yamagata-u.ac.jp [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan); CREST, Japan Science and Technology Agency, 4-3-16 Jonan, Yonezawa 992-8510 (Japan)

    2015-12-01

    Highlights: • We discuss the reaction mechanism of the low temperature GaN ALD. • The plasma-excited NH{sub 3} is effective in the nitridation of the TMG saturated GaN surface with surface temperatures in excess of 100 °C. • The temperature controlled ALD of GaN is examined using RT-TMG adsorption and plasma-excited NH{sub 3} treatment with the temperature of 115 °C. - Abstract: Fundamental surface reactions in the atomic layer deposition of GaN with trimethylgallium (TMG) and plasma-excited NH{sub 3} are investigated by multiple-internal-reflection infrared absorption spectroscopy (MIR-IRAS) at surface temperatures varying from room temperature (RT) to 400 °C. It is found that TMG is saturated at RT on GaN surfaces when the TMG exposure exceeds 8 × 10{sup 4} Langmuir (L), where 1 L corresponds to 1.33 × 10{sup −4} Pa s (or 1.0 × 10{sup −6} Torr s), and its saturation density reaches the maximum value at RT. Nitridation with the plasma-excited NH{sub 3} on the TMG-saturated GaN surface is investigated by X-ray photoelectron spectroscopy (XPS). The nitridation becomes effective at surface temperatures in excess of 100 °C. The reaction models of TMG adsorption and nitridation on the GaN surface are proposed in this paper. Based on the surface analysis, a temperature-controlled ALD process consisting of RT-TMG adsorption and nitridation at 115 °C is examined, where the growth per cycle of 0.045 nm/cycle is confirmed. XPS analysis indicates that all N atoms are bonded as GaN. Atomic force microscopy indicates an average roughness of 0.23 nm. We discuss the reaction mechanism of GaN ALD in the low-temperature region at around 115 °C with TMG and plasma-excited NH{sub 3}.

  15. The thermal conductivity of SiGe heterostructure nanowires with different cores and shells

    Energy Technology Data Exchange (ETDEWEB)

    Bi, Kedong, E-mail: kedongbi@seu.edu.cn [Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, School of Mechanical Engineering, Southeast University, Nanjing, 211189 (China); Wang, Jianqiang; Wang, Yujuan; Sha, Jingjie [Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, School of Mechanical Engineering, Southeast University, Nanjing, 211189 (China); Wang, Zan [School of Mechanical and Electrical Engineering, Henan University of Technology, Zhengzhou, 450001 (China); Chen, Minhua [Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, School of Mechanical Engineering, Southeast University, Nanjing, 211189 (China); Chen, Yunfei, E-mail: yunfeichen@seu.edu.cn [Jiangsu Key Laboratory for Design and Manufacture of Micro-Nano Biomedical Instruments, School of Mechanical Engineering, Southeast University, Nanjing, 211189 (China)

    2012-08-20

    Non-equilibrium molecular dynamics (NEMD) simulation is performed to investigate thermal conductivities of two kinds of SiGe heterostructure nanowires (NWs), core(Si)/shell(Ge) and core(Ge)/(Si) NWs, using different interaction potentials between core and shell atoms. The influence of the proportion of core particles on the overall thermal conductivity of NWs is studied as well. Simulation results demonstrate that thermal conductivities of each kind of NWs with strong potential between core and shell atoms are higher than those of their counterparts with weak interaction between Si and Ge atoms. It is also found that thermal conductivities of both kinds of Si/Ge heterostructure NWs reduce with the decrease of the proportion of core atoms when the shell is not very thick. -- Highlights: ► Van der Waals and covalent interactions between the core and shell are compared. ► The role of shell in core–shell nanowire's thermal conductivity is investigated. ► A good heat conductor should be viewed as shell to get low thermal conductivity. ► The thermal conductivity is influenced by the proportion of core particles.

  16. Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions

    Energy Technology Data Exchange (ETDEWEB)

    Eriksen, Janus J., E-mail: janusje@chem.au.dk; Jørgensen, Poul [qLEAP Center for Theoretical Chemistry, Department of Chemistry, Aarhus University, DK-8000 Aarhus C (Denmark); Matthews, Devin A. [The Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, Texas 78712 (United States); Gauss, Jürgen [Institut für Physikalische Chemie, Johannes Gutenberg-Universität Mainz, D-55128 Mainz (Germany)

    2016-05-21

    The accuracy at which total energies of open-shell atoms and organic radicals may be calculated is assessed for selected coupled cluster perturbative triples expansions, all of which augment the coupled cluster singles and doubles (CCSD) energy by a non-iterative correction for the effect of triple excitations. Namely, the second- through sixth-order models of the recently proposed CCSD(T–n) triples series [J. J. Eriksen et al., J. Chem. Phys. 140, 064108 (2014)] are compared to the acclaimed CCSD(T) model for both unrestricted as well as restricted open-shell Hartree-Fock (UHF/ROHF) reference determinants. By comparing UHF- and ROHF-based statistical results for a test set of 18 modest-sized open-shell species with comparable RHF-based results, no behavioral differences are observed for the higher-order models of the CCSD(T–n) series in their correlated descriptions of closed- and open-shell species. In particular, we find that the convergence rate throughout the series towards the coupled cluster singles, doubles, and triples (CCSDT) solution is identical for the two cases. For the CCSD(T) model, on the other hand, not only its numerical consistency, but also its established, yet fortuitous cancellation of errors breaks down in the transition from closed- to open-shell systems. The higher-order CCSD(T–n) models (orders n > 3) thus offer a consistent and significant improvement in accuracy relative to CCSDT over the CCSD(T) model, equally for RHF, UHF, and ROHF reference determinants, albeit at an increased computational cost.

  17. The interaction of atoms with LiF(001) revisited

    CERN Document Server

    Miraglia, J E

    2016-01-01

    Pairwise additive potentials for multielectronic atoms interacting with a LiF(001) surface are revisited by including an improved description of the electron density associated with the different lattice sites, as well as non-local electron density contributions. Within this model, the electron distribution around each ionic site of the crystal is described by means of an onion approach that accounts for the influence of the Madelung potential. From such densities, binary interatomic potentials are then derived by using well-known non-local functionals for the kinetic, exchange and correlation terms. Rumpling and long-range contributions due to projectile polarization and van der Waals forces are also included in an analogous fashion. We apply this pairwise additive approximation to evaluate the interaction potential between closed-shell - He, Ne, Ar, Kr, and Xe - and open-shell - N, S, and Cl - atoms and the LiF surface, analyzing the relative importance of the different contributions. The performance of the...

  18. Shells and Patterns

    Science.gov (United States)

    Sutley, Jane

    2009-01-01

    "Shells and Patterns" was a project the author felt would easily put smiles on the faces of her fifth-graders, and teach them about unity and the use of watercolor pencils as well. It was thrilling to see the excitement in her students as they made their line drawings of shells come to life. For the most part, they quickly got the hang of…

  19. A study of the effect of surface pretreatment on atomic layer deposited Al2O3 interface with GaN

    Science.gov (United States)

    Gao, Jianyi; Li, Wenwen; Mandal, Saptarshi; Chowdhury, Srabanti

    2017-08-01

    Al2O3 has been an attractive gate dielectric for GaN power devices owing to its large conduction band offset with GaN ( 2.13eV), relatively high dielectric constant ( 9.0) and high breakdown electric field ( 10 MV/cm). Due to exceptional control over film uniformity and deposition rate, atomic layer deposition (ALD) has been widely used for Al2O3 deposition. The major obstacle to ALD Al2O3 on GaN is its high interface-state density (Dit) caused by incomplete chemical bonds, native oxide layer and impurities at the Al2O3/GaN interface. Therefore, an appropriate surface pretreatment prior to deposition is essential for obtaining high-quality interface. In this study, we investigated the effect of TMA, H2O and Ar/N2 plasma pretreatment on Dit and border traps (Nbt). 5 cycles of TMA purge, 5 cycles of H2O purge and Ar/N2 plasma pretreatment were conducted on GaN prior to deposition of ALD Al2O3. Al2O3/GaN metaloxide-semiconductor capacitors (MOSCAPs) were fabricated for the characterization of Dit and Nbt using UV-assisted capacitance-voltage (C-V) technique. The results show that TMA and H2O pretreatment had trivial effects on interface engineering whereas Ar/N2 plasma pretreatment slightly reduced Dit and significantly reduced Nbt.

  20. Cu(OH)2@CoCO3(OH)2·nH2O Core-Shell Heterostructure Nanowire Array: An Efficient 3D Anodic Catalyst for Oxygen Evolution and Methanol Electrooxidation.

    Science.gov (United States)

    Xie, Lisi; Tang, Chun; Wang, Kunyang; Du, Gu; Asiri, Abdullah M; Sun, Xuping

    2017-02-01

    A Cu(OH) 2 @CoCO 3 (OH) 2 ·nH 2 O (CCHH) core-shell heterostructure nanowire array acts as robust 3D oxygen evolution reaction catalyst. It needs an overpotential of 270 mV to drive 50 mA cm -2 in 1.0 m KOH, outperforming CCHH nanowire arrays on copper foam and most reported Co-based oxygen evolution reaction catalysts in alkaline media. It is also efficient for methanol electrooxidation. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. AtomDB 3.0: Atomic Data for Non-equilibrium Ionization Studies

    Science.gov (United States)

    Foster, Adam; Smith, R. K.; Yamaguchi, H.; Ji, L.; Wilms, J.

    2014-01-01

    Collisional plasmas outside of equilibrium exist in a range of astrophysical phenomena, most notably in solar flares and supernova remnants (SNRs). Discovery of strong recombination edges in several mixed-morphology SNRs (e.g. IC 443, W49B) have demonstrated the need for a model of not only ionizing, but also recombining non-equilibium ionization (NEI) plasma. We have developed new capabilities in AtomDB (www.atomdb.org), allowing modeling of NEI plasma in both equilibrium and non-equilibrium, including emission from all inner shell processes such as Kα and Kβ emission. In order to accurately model the NEI spectrum, we have compiled and benchmarked new rate coefficients for inner shell processes. We have also created XSPEC models for these, ready for use now. We show examples of these models for the SNR case, and discuss the implications of the new model. We also describe the new code libraries available for non-equilibrium ionization studies. This work is funded by NASA grant NNH11ZDA001N-ADAP and Smithsonian Institute grant 40040106IH0034.

  2. Using Common Spatial Distributions of Atoms to Relate Functionally Divergent Influenza Virus N10 and N11 Protein Structures to Functionally Characterized Neuraminidase Structures, Toxin Cell Entry Domains, and Non-Influenza Virus Cell Entry Domains

    Science.gov (United States)

    Weininger, Arthur; Weininger, Susan

    2015-01-01

    The ability to identify the functional correlates of structural and sequence variation in proteins is a critical capability. We related structures of influenza A N10 and N11 proteins that have no established function to structures of proteins with known function by identifying spatially conserved atoms. We identified atoms with common distributed spatial occupancy in PDB structures of N10 protein, N11 protein, an influenza A neuraminidase, an influenza B neuraminidase, and a bacterial neuraminidase. By superposing these spatially conserved atoms, we aligned the structures and associated molecules. We report spatially and sequence invariant residues in the aligned structures. Spatially invariant residues in the N6 and influenza B neuraminidase active sites were found in previously unidentified spatially equivalent sites in the N10 and N11 proteins. We found the corresponding secondary and tertiary structures of the aligned proteins to be largely identical despite significant sequence divergence. We found structural precedent in known non-neuraminidase structures for residues exhibiting structural and sequence divergence in the aligned structures. In N10 protein, we identified staphylococcal enterotoxin I-like domains. In N11 protein, we identified hepatitis E E2S-like domains, SARS spike protein-like domains, and toxin components shared by alpha-bungarotoxin, staphylococcal enterotoxin I, anthrax lethal factor, clostridium botulinum neurotoxin, and clostridium tetanus toxin. The presence of active site components common to the N6, influenza B, and S. pneumoniae neuraminidases in the N10 and N11 proteins, combined with the absence of apparent neuraminidase function, suggests that the role of neuraminidases in H17N10 and H18N11 emerging influenza A viruses may have changed. The presentation of E2S-like, SARS spike protein-like, or toxin-like domains by the N10 and N11 proteins in these emerging viruses may indicate that H17N10 and H18N11 sialidase-facilitated cell

  3. Pharmacophore modelling and atom-based 3D-QSAR studies on N-methyl pyrimidones as HIV-1 integrase inhibitors.

    Science.gov (United States)

    Reddy, Karnati Konda; Singh, Sanjeev Kumar; Dessalew, Nigus; Tripathi, Sunil Kumar; Selvaraj, Chandrabose

    2012-06-01

    Pharmacophore modelling and atom-based 3D-QSAR studies were carried out for a series of compounds belonging to N-methyl pyrimidones as HIV-1 integrase inhibitors. Based on the ligand-based pharmacophore model, we got 5-point pharmacophore model AADDR, with two hydrogen bond acceptors (A), two hydrogen bond donors (D) and one aromatic ring (R). The generated pharmacophore-based alignment was used to derive a predictive atom-based 3D-QSAR model for the training set (r(2) = 0.92, SD = 0.16, F = 84.8, N = 40) and for test set (Q(2) = 0.71, RMSE = 0.06, Pearson R = 0.90, N = 10). From these results, AADDR pharmacophore feature was selected as best common pharmacophore hypothesis, and atom-based 3D-QSAR results also support the outcome by means of favourable and unfavourable regions of hydrophobic and electron-withdrawing groups for the most potent compound 30. These results can be useful for further design of new and potent HIV-1 IN inhibitors.

  4. Cu–Ni core–shell nanoparticles: structure, stability, electronic, and magnetic properties: a spin-polarized density functional study

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qiang, E-mail: wangqiang@njtech.edu.cn; Wang, Xinyan; Liu, Jianlan; Yang, Yanhui [Nanjing Tech University, School of Chemistry and Molecular Engineering, Institute of Advanced Synthesis (IAS) (China)

    2017-02-15

    Bimetallic core–shell nanoparticles (CSNPs) have attracted great interest not only because of their superior stability, selectivity, and catalytic activity but also due to their tunable properties achieved by changing the morphology, sequence, and sizes of both core and shell. In this study, the structure, stability, charge transfer, electronic, and magnetic properties of 13-atom and 55-atom Cu and Cu–Ni CSNPs were investigated using the density functional theory (DFT) calculations. The results show that Ni@Cu CSNPs with a Cu surface shell are more energetically favorable than Cu@Ni CSNPs with a Ni surface shell. Interestingly, three-shell Ni@Cu{sub 12}@Ni{sub 42} is more stable than two-shell Cu{sub 13}@Ni{sub 42}, while two-shell Ni{sub 13}@Cu{sub 42} is more stable than three-shell Cu@Ni{sub 12}@Cu{sub 42}. Analysis of Bader charge illustrates that the charge transfer increases from Cu core to Ni shell in Cu@Ni NPs, while it decreases from Ni core to Cu shell in Ni@Cu NPs. Furthermore, the charge transfer results that d-band states have larger shift toward the Fermi level for the Ni@Cu CSNPs with Cu surface shell, while the Cu@Ni CSNPs with Ni surface shell have similar d-band state curves and d-band centers with the monometallic Ni NPs. In addition, the Cu–Ni CSNPs possess higher magnetic moment when the Ni atoms aggregated at core region of CSNPs, while having lower magnetic moment when the Ni atoms segregate on surface region. The change of the Cu atom location in CSNPs has a weak effect on the total magnetic moment. Our findings provide useful insights for the design of bimetallic core–shell catalysts.

  5. Using a spherical crystallite model with vacancies to relate local atomic structure to irradiation defects in ZrC and ZrN

    Energy Technology Data Exchange (ETDEWEB)

    Olive, Daniel T.; Ganegoda, Hasitha [Department of Physics, Illinois Institute of Technology, Chicago, IL 60616 (United States); Allen, Todd [Department of Engineering Physics, University of Wisconsin-Madison, WI 53706 (United States); Yang, Yong [Nuclear Engineering Program, University of Florida, Gainsville, FL 32611 (United States); Dickerson, Clayton [Material Science Program, University of Wisconsin-Madison, WI 53706 (United States); Terry, Jeff, E-mail: terryj@iit.edu [Department of Physics, Illinois Institute of Technology, Chicago, IL 60616 (United States)

    2016-07-15

    Zirconium carbide and zirconium nitride are candidate materials for new fuel applications due to several favorable physicochemical properties. ZrC and ZrN samples were irradiated at the Advanced Test Reactor National Scientific User Facility with neutrons at 800 °C to a dose of 1 dpa. Structural examinations have been made of the ZrC samples using high resolution transmission electron microscopy, and the findings compared with a previous study of ZrC irradiated with protons at 800 °C. The use of X-ray absorption fine structure spectroscopy (XAFS) to characterize the radiation damage was also explored including a model based on spherical crystallites that can be used to relate EXAFS measurements to microscopy observations. A loss of coordination at more distant coordination shells was observed for both ZrC and ZrN, and a model using small spherical crystallites suggested this technique can be used to study dislocation densities in future studies of irradiated materials. - Highlights: • ZrC and ZrN were irradiated at the ATR NSUF reactor to 1 dpa at 800 °C. • Dislocation loop size and density determined with TEM. • Defects in ZrC are similar to proton irradiated ZrC under similar conditions. • EXAFS modeling of radiation damage using a spherical crystallite model.

  6. Comparative study of shell choice by the southern endemic hermit crab Loxopagurus loxochelis from Brazil and Argentina Estudio comparativo sobre elección de conchas en el cangrejo ermitaño endémico del Atlántico sudoccidental Loxopagurus loxochelis de Brasil y Argentina

    Directory of Open Access Journals (Sweden)

    RENATA BIAGI

    2006-12-01

    Full Text Available This study aimed to determine the shell choice pattern of the southern Atlantic endemic hermit crab Loxopagurus loxochelis from two different biogeographic provinces in Brazil and Argentina. Size and shell species preferences were determined for the two most occupied shell types (i.e., Olivancillaria urceus and Buccinanops gradatum in Caraguatatuba region (Brazil and in Mar del Plata (Argentina. Shell occupation was analyzed considering the biometric characteristics of shells, the occurrence of shell types, and the preference of the hermit crabs for the most frequently occupied shell species. Samples were taken using otter trawl in the infralittoral area of both regions and the animals captured were measured and weighed. Shells were identified, weighed, measured and their internal volume calculated. Experiments were accomplished in aquaria where the hermit crabs were allocated together with a sufficient number of adequate sized shells. In laboratory, L. loxochelis from Argentina presented no preference for any of the two offered shell species, while the specimens from Brazil significantly preferred B. gradatum shells. It was observed that the relation between shell dimensions and shell weight were the variables that best explained the association between hermit crabs and shells. Considering that Argentinean specimens are larger than the Brazilian ones we may infer that body size is a relevant factor to explain the observed differences found in relation to shell type preferenceEste estudio tuvo por objetivo determinar la forma de elección de conchas de caracoles por el cangrejo ermitaño endémico del Atlántico sudoccidental Loxopagurus loxochelis proveniente de dos provincias biogeográficas de Brasil y Argentina. Se determinaron las tallas y las preferencias de conchas entre los dos tipos de caracoles más ocupados (Olivancillaria urceus y Buccinanops gradatum en la región de Caraguatatuba (Brazil y en Mar del Plata (Argentina. La composición

  7. Substrate temperature influence on the properties of GaN thin films grown by hollow-cathode plasma-assisted atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Alevli, Mustafa, E-mail: mustafaalevli@marmara.edu.tr; Gungor, Neşe [Department of Physics, Faculty of Arts and Sciences, Marmara University, Goztepe, 34722 Istanbul (Turkey); Haider, Ali; Kizir, Seda; Leghari, Shahid A.; Biyikli, Necmi, E-mail: biyikli@unam.bilkent.edu.tr [Institute of Materials Science and Nanotechnology, Bilkent University, Bilkent, 06800 Ankara, Turkey and National Nanotechnology Research Center (UNAM), Bilkent University, Bilkent, 06800 Ankara (Turkey)

    2016-01-15

    Gallium nitride films were grown by hollow cathode plasma-assisted atomic layer deposition using triethylgallium and N{sub 2}/H{sub 2} plasma. An optimized recipe for GaN film was developed, and the effect of substrate temperature was studied in both self-limiting growth window and thermal decomposition-limited growth region. With increased substrate temperature, film crystallinity improved, and the optical band edge decreased from 3.60 to 3.52 eV. The refractive index and reflectivity in Reststrahlen band increased with the substrate temperature. Compressive strain is observed for both samples, and the surface roughness is observed to increase with the substrate temperature. Despite these temperature dependent material properties, the chemical composition, E{sub 1}(TO), phonon position, and crystalline phases present in the GaN film were relatively independent from growth temperature.

  8. Synthesis of organoamine-silica hybrids using cashew nut shell ...

    African Journals Online (AJOL)

    Synthesis of organoamine-silica hybrids using cashew nut shell liquid components as templates for the catalysis of a model Henry reaction. ... The prepared materials were characterized by diffuse reflectance Fourier Transform Infrared (FTIR), Atomic Force Microscopy and acid titration. Results indicated that indeed the ...

  9. Spectrophotometry of the shell around AG Carinae

    Science.gov (United States)

    Mitra, P. Mila; Dufour, Reginald J.

    1990-01-01

    Spatially-resolved long-slit spectrophotometry are presented for two regions of the shell nebula around the P-Cygni variable star AG Carinae. The spectra cover the 3700-6800 A wavelength range. Emission-line diagnostics are used to derive extinction, electron temperatures, and densities for various positions in the nebula. The chemical abundances and ionization structure are calculated and compared with other types of planetary nebulae and shells around other luminous stars. It is found that the N/O and N/S ratios of Ag Car are high compared to solar neighborhood ISM values. The O/H depletion found for the AG Car shell approaches that found in the condensations of the Eta Car system.

  10. Ru-decorated Pt nanoparticles on N-doped multi-walled carbon nanotubes by atomic layer deposition for direct methanol fuel cells

    DEFF Research Database (Denmark)

    Johansson, Anne-Charlotte Elisabeth Birgitta; Yang, R.B.; Haugshøj, K.B.

    2013-01-01

    We present atomic layer deposition (ALD) as a new method for the preparation of highly dispersed Ru-decorated Pt nanoparticles for use as catalyst in direct methanol fuel cells (DMFCs). The nanoparticles were deposited onto N-doped multi-walled carbon nanotubes (MWCNTs) at 250 °C using trimethyl......(methylcyclopentadienyl)platinum MeCpPtMe3, bis(ethylcyclopentadienyl)ruthenium Ru(EtCp)2 and O2 as the precursors. Catalysts with 5, 10 and 20 ALD Ru cycles grown onto the CNT-supported ALD Pt nanoparticles (150 cycles) were prepared and tested towards the electro-oxidation of CO and methanol, using cyclic voltammetry...

  11. Study of the N=28 shell closure by one neutron transfer reaction: astrophysical application and {beta}-{gamma} spectroscopy of neutron rich nuclei around N=32/34 and N=40; Etude de la fermeture de couche N=28 autour du noyau {sub 18}{sup 46}Ar{sub 28} par reaction de transfert d'un neutron: application a l'astrophysique et Spectroscopie {beta}-{gamma} de noyaux riches en neutrons de N=32/34 et N=40

    Energy Technology Data Exchange (ETDEWEB)

    Gaudefroy, L

    2005-09-15

    The study of the N=28 shell closure has been presented as well as its astrophysical implications. Moreover the structure of neutron rich nuclei around N=32/34 and 40 was studied. The N=28 shell closure has been studied trough the one neutron transfer reaction on {sup 44,46}Ar nuclei. Excitation energies of states in {sup 45,47}Ar nuclei have been obtained, as well as their angular momenta and spectroscopic factors. These results were used to show that N=28 is still a good magic number in the argon isotopic chain. We interpreted the evolution of the spin-orbit partner gaps in terms of the tensor monopolar proton-neutron interaction. Thanks to this latter, we showed it is not necessary to summon up a reduction of the intensity of the spin-orbit force in order to explain this evolution in N=29 isotopes from calcium to argon chains. The neutron capture rates on {sup 44,46}Ar have been determined thanks to the results of the transfer reaction. Their influence on the nucleosynthesis of {sup 46,48}Ca was studied. We proposed stellar conditions to account for the abnormal isotopic ratio observed in the Allende meteorite concerning {sup 46,48}Ca isotopes. The beta decay and gamma spectroscopy of neutron rich nuclei in the scandium to cobalt region has been studied. We showed that beta decay process is dominated by the {nu}f{sub 5/2} {yields} {pi}f{sub 7/2} Gamow-Teller transition. Moreover, we demonstrated that the {nu}g{sub 9/2} hinders this process in the studied nuclei, and influences their structure, by implying the existence of isomers. Our results show that N=34 is not a magic number in the titanium chain and the superior ones. (author)

  12. Current mapping of nonpolar a-plane and polar c-plane GaN films by conductive atomic force microscopy

    Science.gov (United States)

    Xu, Shengrui; Jiang, Teng; Lin, Zhiyu; Zhao, Ying; Yang, Linan; Zhang, Jincheng; Li, Peixian; Hao, Yue

    2016-10-01

    Nonpolar (11-20) a-plane GaN and polar (0001) c-plane GaN films have been grown by metal organic chemical vapor deposition on r-plane (1-102) and c-plane (0001) sapphire substrates, respectively. Conductive atomic force microscopy (C-AFM) has been used to investigate the local conductivity of the films. C-AFM shows enhanced current conduction within the etch pits of c-plane GaN and triangular pits of a-plane GaN. The results indicate that the off-axis planes are more electrically active than c-plane and a-plane. Surprisingly, the C-AFM values in triangular pit of the a-plane GaN are much smaller than that in etch pits of the c-plane GaN. The dislocations type related current leakage mechanism is revealed for polar c-plane and nonpolar a-plane GaN films.

  13. Measurement of absolute density of N atom in sputtering plasma for epitaxial growth ZnO films via nitrogen mediated crystallization

    Science.gov (United States)

    Ide, Tomoaki; Matsushima, Koichi; Takasaki, Toshiyuki; Takeda, Keigo; Hori, Masaru; Yamashita, Daisuke; Seo, Hyuwoong; Koga, Kazunori; Shiratani, Masaharu; Itagaki, Naho

    2015-09-01

    ZnO has attracted attention as a potential alternative to GaN in light emitting diodes because of the wide band gap and large exciton binding energy. Recently, we have developed a fabrication method of ZnO by sputtering, nitrogen mediated crystallization (NMC), enabling us to make epitaxial films with low defect density. By utilizing the buffer layers fabricated by NMC method, we have succeeded in fabrication of single crystalline ZnO films even on 18% lattice mismatched substrates. Here, aiming to clarify effects of nitrogen during NMC process, we measured absolute density of N atom in sputtering plasma by means of vacuum ultra violet absorption spectroscopy. First, NMC-ZnO buffer layers were deposited in Ar/N2 atmosphere. Then, ZnO films were deposited in Ar/O2 atmosphere. With increasing N2 flow rate ratio from 4 to 12%, the N density increases from 3.2 × 1010 to 1.4 × 1011 cm-3. By utilizing the NMC-ZnO buffer layer fabricated at under these conditions, single crystalline ZnO films are grown. However, large number of pits are observed on the surface of ZnO films under N-rich conditions, indicating that N density is of importance in controlling the morphology of ZnO films. This work was supported in part by Japan Society for the Promotion of Science KAKENHI Grant Number 15H05431.

  14. An efficient, selective collisional ejection mechanism for inner-shell population inversion in laser-driven plasmas

    Energy Technology Data Exchange (ETDEWEB)

    SCHROEDER,W. ANDREAS; NELSON,THOMAS R.; BORISOV,A.B.; LONGWORTH,J.W.; BOYER,K.; RHODES,C.K.

    2000-06-07

    A theoretical analysis of laser-driven collisional ejection of inner-shell electrons is presented to explain the previously observed anomalous kilovolt L-shell x-ray emission spectra from atomic Xe cluster targets excited by intense sub-picosecond 248nrn ultraviolet radiation. For incident ponderomotively-driven electrons photoionized by strong above threshold ionization, the collisional ejection mechanism is shown to be highly l-state and significantly n-state (i.e. radially) selective for time periods shorter than the collisional dephasing time of the photoionized electronic wavefunction. The resulting preference for the collisional ejection of 2p electrons by an ionized 4p state produces the measured anomalous Xe(L) emission which contains direct evidence for (i) the generation of Xe{sup 27+}(2p{sup 5}3d{sup 10}) and Xe{sup 28+}(2p{sup 5}3d{sup 9}) ions exhibiting inner-shell population inversion and (ii) a coherent correlated electron state collision responsible for the production of double 2p vacancies. For longer time periods, the selectivity of this coherent impact ionization mechanism is rapidly reduced by the combined effects of intrinsic quantum mechanical spreading and dephasing--in agreement with the experimentally observed and extremely strong {minus}{lambda}{sup {minus}6} pump-laser wavelength dependence of the efficiency of inner-shell (2p) vacancy production in Xe clusters excited in underdense plasmas.

  15. Photoionization of Yb(NH3)n complexes.

    Science.gov (United States)

    Guttridge, Matthew J; Don, Sadna H; Ellis, Andrew M

    2013-03-18

    The ionization energies of complexes between a rare-earth metal (Yb) and ammonia were measured for the first time. Using photoionization mass spectrometry under molecular-beam conditions, the adiabatic ionization energies of Yb(NH3)n were determined for n=1-10. Ab initio calculations were also carried out in support of this work and were found to be in excellent agreement with experiment. The combined findings from theory and experiment are consistent with formation of "interior" complexes in which the Yb atom is embedded within a shell of NH3 molecules, rather than sitting on the surface of an (NH3)n cluster. The calculations also suggest that Yb can accommodate up to eight NH3 molecules in its first solvation shell before steric repulsion makes occupancy of the second solvation shell more favourable energetically. The experimental ionization data are consistent with this prediction, as demonstrated by below-trend adiabatic ionization energies for the n=9 and 10 complexes. The ionization energies of Yb(NH3)n complexes closely follow those for complexes of alkali metal atoms with NH3, which suggests that a valence electron will eventually detach from the Yb atom to form a solvated electron in Yb(NH3)n when n is sufficiently large. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. A luminescent and mesoporous core-shell structured Gd2O3 : Eu(3+)@nSiO2@mSiO2 nanocomposite as a drug carrier.

    Science.gov (United States)

    Xu, Zhenhe; Gao, Yu; Huang, Shanshan; Ma, Ping' an; Lin, Jun; Fang, Jiye

    2011-05-14

    In this paper, Gd(2)O(3) : Eu(3+) nanospheres have been encapsulated with nonporous silica and further layer of ordered mesoporous silica through a simple sol-gel process. X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), N(2) adsorption/desorption, photoluminescence (PL) spectra, and kinetic decay were used to characterize the sample. The results indicate that the nanocomposite with general 50 nm shell thickness and 270 nm core size shows typical ordered mesoporous characteristics (2.4 nm) and has spherical morphology with a smooth surface and narrow size distribution. Additionally, the obtained inorganic nanocomposite shows the characteristic emission of Eu(3+) ((5)D(0)→(7)F(1-4)) even after the loading of drug molecules. The biocompatibility test on L929 fibroblast cells using MTT assay reveals low cytotoxicity of the system. Most importantly, the nanocomposite can be used as an effective drug delivery carrier. A typical anticancer drug, doxorubicin hydrochloride (DOX), was used for drug loading, and the DOX release, cytotoxicity, uptake behavior and therapeutic effects were examined. It was found that DOX is shuttled into the cell by the nanocomposite and released inside cells after endocytosis and that the DOX-loaded nanocomposite exhibited greater cytotoxicity than free DOX. These results indicate that core-shell structured Gd(2)O(3) : Eu(3+)@nSiO(2)@mSiO(2) nanocomposite has potential for drug loading and delivery into cancer cells to induce cell death.

  17. Atomic theories

    CERN Document Server

    Loring, FH

    2014-01-01

    Summarising the most novel facts and theories which were coming into prominence at the time, particularly those which had not yet been incorporated into standard textbooks, this important work was first published in 1921. The subjects treated cover a wide range of research that was being conducted into the atom, and include Quantum Theory, the Bohr Theory, the Sommerfield extension of Bohr's work, the Octet Theory and Isotopes, as well as Ionisation Potentials and Solar Phenomena. Because much of the material of Atomic Theories lies on the boundary between experimentally verified fact and spec

  18. Chemical inhomogeneity in In{sub x}Ga{sub 1-x}N and ZnO. A HRTEM study on atomic scale clustering

    Energy Technology Data Exchange (ETDEWEB)

    Bartel, T.P.

    2008-10-08

    Nanostructuration as well as the nucleation and growth of nanoparticles pervades the development of modern materials and devices. Quantitative high resolution transmission electron microscopy (HRTEM) is currently being developed for a structural and chemical analysis at an atomic scale. It is used in this thesis to study the chemical inhomogeneity and clustering in In{sub x}Ga{sub 1-x}N, InN and ZnO. A methodology for reliable quantitative HRTEM is rst de ned: it necessitates a damage free sample, the avoidance of electron beam damage and the control of microscope instabilities. With these conditions satis ed, the reliability of quantitative HRTEM is demonstrated by an accurate measurement of lattice relaxation in a thin TEM sample. Clustering in an alloy can then be distinguished from a random distribution of atoms. In In{sub x}Ga{sub 1-x}N for instance, clustering is detected for concentrations x>0.1. The sensitivity is insufficient to determine whether clustering is present for lower concentrations. HRTEM allows to identify the amplitude and the spatial distribution of the decomposition which is attributed to a spinodal decomposition. In InN, nanometer scale metallic indium inclusions are detected. With decreasing size of the metallic clusters, the photoluminescence of the sample shifts towards the infrared. This indicates that the inclusions may be responsible for the infrared activity of InN. Finally, ZnO grown homoepitaxially on zinc-face and oxygen-face substrates is studied. The O-face epilayer is strained whereas the Zn-face epilayer is almost strain free and has a higher crystalline quality. Quantitative analysis of exit wave phases is in good agreement with simulations, but the signal to noise ratio needs to be improved for the detection of single point defects. (orig.)

  19. From shell logs to shell scripts

    OpenAIRE

    Jacobs, Nico; Blockeel, Hendrik

    2001-01-01

    Analysing the use of a Unix command shell is one of the classic applications in the domain of adaptive user interfaces and user modelling. Instead of trying to predict the next command from a history of commands, we automatically produce scripts that automate frequent tasks. For this we use an ILP association rule learner. We show how to speedup the learning task by dividing it into smaller tasks, and the need for a preprocessing phase to detect frequent subsequences in the data. We illustrat...

  20. Efficient Photocatalytic Bilirubin Removal over the Biocompatible Core/Shell P25/g-C3N4 Heterojunctions with Metal-free Exposed Surfaces under Moderate Green Light Irradiation

    Science.gov (United States)

    Kang, Shifei; Qin, Hengfei; Zhang, Lu; Huang, Yongkui; Bai, Xia; Li, Xi; Sun, Di; Wang, Yangang; Cui, Lifeng

    2017-03-01

    Highly-monodispersed g-C3N4/TiO2 hybrids with a core/shell structure were synthesized from a simple room temperature impregnation method, in which g-C3N4 was coated through self-assembly on the commercially available Degussa P25 TiO2 nanoparticles. Structural and surface characterizations showed that the presence of g-C3N4 notably affected the light absorption characteristics of TiO2. The g-C3N4/TiO2 heterojunctions with metal-free exposed surfaces were directly used as biocompatible photocatalysts for simulated jaundice phototherapy under low-power green-light irradiation. The photocatalytic activity and stability of g-C3N4/TiO2 were enhanced relative to pure P25 or g-C3N4, which could be ascribed to the effective Z-scheme separation of photo-induced charge carriers in g-C3N4/TiO2 heterojunction. The photoactivity was maximized in the 4 wt.% g-C3N4-coated P25, as the bilirubin removal rate under green light irradiation was more than 5-fold higher than that under the clinically-used blue light without any photocatalyst. This study approves the future applications of the photocatalyst-assisted bilirubin removal in jaundice treatment under moderate green light which is more tolerable by humans.

  1. Laser ablation of Au–CuO core–shell nanocomposite in water for optoelectronic devices

    Science.gov (United States)

    Ismail, Raid A.; Abdul-Hamed, Ryam S.

    2017-12-01

    Core–shell gold–copper oxide Au–CuO nanocomposites were synthesized using laser ablation of CuO target in colloidal solution of Au nanoparticles (NPs). The effect of laser fluence on the structural, morphological, electrical, and optical properties of Au–CuO nanocomposites was investigated using x-ray diffraction (XRD), atomic force microscope (AFM), scanning electron microscope (SEM), transmission electron microscope (TEM), photoluminescence (PL), Fourier transformed infrared spectroscopy (FTIR), Hall measurement, and UV–vis spectroscopy. X-ray diffraction results confirm the formation of polycrystalline Au–CuO NPs with monoclinic structure. The optical energy gap for CuO was 4 eV and for the Au–CuO core–shell nanocomposites was found to be in the range of 3.4–3.7 eV. SEM and TEM investigations revealed that the structure and morphology of Au–CuO core–shell nanocomposites were strongly depending on the laser fluence. A formation of Au–CuO nanospheres and platelets structures was observed. The photoluminescence data showed an emission of broad visible peaks between 407 and 420 nm. The effect of laser fluence on the dark and illuminated I–V characteristics of Au–CuO/n-Si heterojunction photodetectors was investigated and analyzed. The experimental data demonstrated that the photodetector prepared at optimum laser fluence exhibited photosensitivity of 0.6 AW‑1 at 800 nm.

  2. Windows Server 2012 -palvelimen hallinta PowerShell-komennoilla

    OpenAIRE

    Pitkänen, Henri

    2013-01-01

    Tämän opinnäytetyön tavoitteena oli perehtyä Windows Server 2012 -palvelimen ja aktiivihakemiston hallintaan käyttäen Windows PowerShell -komentotulkkia. PowerShell on Microsoftin kehittämä komentotulkki ja skriptausympäristö, jonka tarkoitus on tehostaa ja automatisoida Windows-käyttöjärjestelmien ja sovellusten hallintaa komentorivin ja skriptien avulla. Opinnäytetyössä käsiteltiin Windows Server 2012 -käyttöjärjestelmään, aktiivihakemistoon ja Windows PowerShell -komentotulkkiin liitty...

  3. Aprovechamiento de residuos orgánicos (cáscara de almendra para sustitución de árido grueso en la elaboración de hormigón convencional = Use of organic waste (almond shell to replace coarse aggregate in conventional concrete processing

    Directory of Open Access Journals (Sweden)

    Arturo Bustos

    2016-12-01

    Full Text Available El presente trabajo, busca conocer el posible aprovechamiento de residuos orgánicos, como es la cáscara de almendra, como sustitución de una parte de la fracción granulométrica del árido grueso para la fabricación de hormigones convencionales. Para ello, primero, caracterizamos los materiales, árido y cascara de almendra. Posteriormente, fabricamos las probetas de hormigón con distintas sustituciones (10%, 20% y 30% de cáscara de almendra sobre la fracción gruesa del árido y procedemos a la realización de los ensayos marcados por las normas UNE, evaluando su comportamiento a compresión, tracción, flexión, penetración de agua, absorción de agua, hielo y deshielo y térmico. Abstract The present work seeks to know the possible use of organic residues, such as the almond husk, as a substitution of a part of the granulometric fraction of the coarse aggregate for the manufacture of conventional concretes. For this, first, we characterize the materials, arid and almond husk. Subsequently, we made the concrete samples with different substitutions (10%, 20% and 30% of almond shell on the coarse fraction of the aggregate and proceed to the tests marked by UNE standards, evaluating their behavior to compression, Traction, flexion, water penetration, water absorption, ice and melt and thermal.

  4. Free Ion Formation in K(np) Rydberg Atom Collisions at Low-to-Intermediate n: Velocity Dependence of Product Ion Properties.

    Science.gov (United States)

    Parthasarathy, R.; Suess, L.; Liu, Y.; Dunning, F. B.

    2003-05-01

    Post-attachment interactions between the product ion pair formed through electron transfer in collisions between Rydberg atoms and attaching molecules become important at low-to-intermediate n. These effects are investigated by controlling the collision energy through use of velocity selected K(np) Rydberg atoms and by measuring the lifetime of the product ions using a Penning ion trap. In the case of SF_6, where electron transfer leads to production of a valence-bound parent anion, analysis of the data points to significant internal-to-translational energy transfer in post-attachment interactions. This results in an n- and velocity-dependent increase of the fraction of product ion pairs that is able to separate and stabilizes the product ions against autodetachment. In contrast, no similar effects are observed following K(np)/CH_3CN collisions, which lead to the formation of dipole-bound parent anions. The reasons for this marked difference in behavior, which provides a new signature for the creation of dipole-bound anions, will be discussed.

  5. Fabrication of diamond shells

    Science.gov (United States)

    Hamza, Alex V.; Biener, Juergen; Wild, Christoph; Woerner, Eckhard

    2016-11-01

    A novel method for fabricating diamond shells is introduced. The fabrication of such shells is a multi-step process, which involves diamond chemical vapor deposition on predetermined mandrels followed by polishing, microfabrication of holes, and removal of the mandrel by an etch process. The resultant shells of the present invention can be configured with a surface roughness at the nanometer level (e.g., on the order of down to about 10 nm RMS) on a mm length scale, and exhibit excellent hardness/strength, and good transparency in the both the infra-red and visible. Specifically, a novel process is disclosed herein, which allows coating of spherical substrates with optical-quality diamond films or nanocrystalline diamond films.

  6. Sensational spherical shells

    Science.gov (United States)

    Lee, M. C.; Kendall, J. M., Jr.; Bahrami, P. A.; Wang, T. G.

    1986-01-01

    Fluid-dynamic and capillary forces can be used to form nearly perfect, very small spherical shells when a liquid that can solidify is passed through an annular die to form an annular jet. Gravity and certain properties of even the most ideal materials, however, can cause slight asymmetries. The primary objective of the present work is the control of this shell formation process in earth laboratories rather than space microgravity, through the development of facilities and methods that minimize the deleterious effects of gravity, aerodynamic drag, and uncontrolled cooling. The spherical shells thus produced can be used in insulation, recyclable filter materials, fire retardants, explosives, heat transport slurries, shock-absorbing armor, and solid rocket motors.

  7. Enhanced visible-light photocatalytic activity of ZnS/g-C3N4 type-II heterojunction nanocomposites synthesized with atomic layer deposition

    Science.gov (United States)

    Kim, Won Jun; Jang, Eunyong; Park, Tae Joo

    2017-10-01

    Atomic layer deposition (ALD) is proposed to synthesize ZnS-coated g-C3N4 photocatalysts which form an effective heterojunction for charge separation by reducing carrier recombination. It also, enables decrease in processing time from few days to several hours and circumvents collection process of synthesized powder which leads improvement in the productivity. In ZnS/g-C3N4 heterojunction composite, ZnS quantum-dots are uniformly distributed on g-C3N4 rather than conformal ZnS film due to hydrophobic nature of g-C3N4 surface. Photocatalytic activity of the ZnS/g-C3N4 heterojunction composites is enhanced up to 2.6 times compared to pristine g-C3N4 by tailoring ZnS ALD cycles. A range of ALD cycles from 2 to 50 have applied, out of which 5 cycles are found optimum for best efficiency, above and below 5 cycles it becomes either saturated or less potent, respectively.

  8. Atomic Power

    African Journals Online (AJOL)

    Atomic Power. By Denis Taylor: Dr. Taylor was formerly Chief UNESCO Advisor at the University. College, Nairobi, Kenya and is now Professor of Electrical Engineering in the Uni- versity of ... method of producing radioactive isotopes, which are materials .... the sealing and the pressure balancing, all can be carried out ...

  9. Study of neutron-rich nuclei structure around the N=28 shell closure using the in-beam gamma spectroscopy technique; Etude de la structure des noyaux riches en neutrons autour de la fermeture de couches N=28 par spectroscopie gamma en ligne

    Energy Technology Data Exchange (ETDEWEB)

    Bastin, B

    2007-10-15

    For a few years now, a loss of magicity in neutron-rich nuclei near the neutron drip-line at N=28 has been suggested and observed. Deformation in these nuclei has been observed. The deformation was explained in S isotopes as being due to a moderate reduction of the N=28 shell closure together with a proton induced collectivity originating from the near degeneracy of the proton d3/2 and s1/2 orbitals. As a consequence, the observed deformation seems to result from a subtle interplay between neutron and proton excitations. Since the proton configuration in the Si isotopes is expected to be more stable due to the Z=14 sub-shell gap, {sup 42}Si was considered as a key nucleus in order to distinguish the different effects responsible for the structural changes observed at N=28. Even if it is at the limits of our technical possibilities, an in-beam gamma-spectroscopy experiment using two-step fragmentation and one or several nucleons knockout reaction mechanisms was performed at GANIL. The measurement of the energy of the first excited state in {sup 42}Si, combined with the observation of {sup 38,40}Si and the spectroscopy of {sup 41,43}P, has given evidence for the loss of magicity at N=28 far from stability. Modifications of the effective interaction used in modern shell model calculations have been completed following this investigation, increasing its predictive character. This study confirms the role of the tensor force and the density dependence of the spin-orbit interaction in the collapse of the N=28 shell closure. (author)

  10. Electrical hysteresis in p-GaN metal-oxide-semiconductor capacitor with atomic-layer-deposited Al2O3 as gate dielectric

    Science.gov (United States)

    Zhang, Kexiong; Liao, Meiyong; Imura, Masataka; Nabatame, Toshihide; Ohi, Akihiko; Sumiya, Masatomo; Koide, Yasuo; Sang, Liwen

    2016-12-01

    The electrical hysteresis in current-voltage (I-V) and capacitance-voltage characteristics was observed in an atomic-layer-deposited Al2O3/p-GaN metal-oxide-semiconductor capacitor (PMOSCAP). The absolute minimum leakage currents of the PMOSCAP for forward and backward I-V scans occurred not at 0 V but at -4.4 and +4.4 V, respectively. A negative flat-band voltage shift of 5.5 V was acquired with a capacitance step from +4.4 to +6.1 V during the forward scan. Mg surface accumulation on p-GaN was demonstrated to induce an Mg-Ga-Al-O oxidized layer with a trap density on the order of 1013 cm-2. The electrical hysteresis is attributed to the hole trapping and detrapping process in the traps of the Mg-Ga-Al-O layer via the Poole-Frenkel mechanism.

  11. Environmental-Friendly Solid Synthesis of Fe-N-C Electrocatalyst with Fe Exclusively in Atomically Dispersed Fe-N4 Moieties for High-Power Proton Exchange Membrane Fuel Cells.

    Science.gov (United States)

    Liu, Qingtao; Liu, Xiaofang; Zheng, Lirong; Shui, Jianglan

    2017-12-05

    Environmental-friendly synthesis of highly active Fe-N-C electrocatalyst for proton exchange membrane fuel cells (PEMFCs) is desirable but remains challenging. Herein, we report a green, simple and scalable method to fabricate Fe(II)-doped ZIF-8, which can be further pyrolyzed into Fe-N-C with 3 wt.% of Fe exclusively in Fe-N4 active moieties. Significantly, this Fe-N-C derived acidic PEMFC exhibits an unprecedented current density of 1.65 A cm-2 at 0.6 V and the highest power density of 1.14 W cm-2 compared with previously reported NPMCs. The excellent PEMFC performance can be attributed to the densely and atomically dispersed Fe-N4 active moieties on the small and uniform catalyst nanoparticles. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Nitrogen-doped porous carbon from Camellia oleifera shells with enhanced electrochemical performance.

    Science.gov (United States)

    Zhai, Yunbo; Xu, Bibo; Zhu, Yun; Qing, Renpeng; Peng, Chuan; Wang, Tengfei; Li, Caiting; Zeng, Guangming

    2016-04-01

    Nitrogen doped porous activated carbon was prepared by annealing treatment of Camellia oleifera shell activated carbon under NH3. We found that nitrogen content of activated carbon up to 10.43 at.% when annealed in NH3 at 800 °C. At 600 °C or above, the N-doped carbon further reacts with NH3, leads to a low surface area down to 458 m(2)/g and low graphitization degree. X-ray photoelectron spectroscope (XPS) analysis indicated that the nitrogen functional groups on the nitrogen-doped activated carbons (NACs) were mostly in the form of pyridinic nitrogen. We discovered that the oxygen groups and carbon atoms at the defect and edge sites of graphene play an important role in the reaction, leading to nitrogen atoms incorporated into the lattice of carbon. When temperatures were lower than 600 °C the nitrogen atoms displaced oxygen groups and formed nitrogen function groups, and when temperatures were higher than 600 °C and ~4 at.% carbon atoms and part of oxygen function groups reacted with NH3. When compared to pure activated carbon, the nitrogen doped activated carbon shows nearly four times the capacitance (191 vs 51 F/g). Copyright © 2015 Elsevier B.V. All rights reserved.

  13. NIF Double Shell outer/inner shell collision experiments

    Science.gov (United States)

    Merritt, E. C.; Loomis, E. N.; Wilson, D. C.; Cardenas, T.; Montgomery, D. S.; Daughton, W. S.; Dodd, E. S.; Desjardins, T.; Renner, D. B.; Palaniyappan, S.; Batha, S. H.; Khan, S. F.; Smalyuk, V.; Ping, Y.; Amendt, P.; Schoff, M.; Hoppe, M.

    2017-10-01

    Double shell capsules are a potential low convergence path to substantial alpha-heating and ignition on NIF, since they are predicted to ignite and burn at relatively low temperatures via volume ignition. Current LANL NIF double shell designs consist of a low-Z ablator, low-density foam cushion, and high-Z inner shell with liquid DT fill. Central to the Double Shell concept is kinetic energy transfer from the outer to inner shell via collision. The collision determines maximum energy available for compression and implosion shape of the fuel. We present results of a NIF shape-transfer study: two experiments comparing shape and trajectory of the outer and inner shells at post-collision times. An outer-shell-only target shot measured the no-impact shell conditions, while an `imaging' double shell shot measured shell conditions with impact. The `imaging' target uses a low-Z inner shell and is designed to perform in similar collision physics space to a high-Z double shell but can be radiographed at 16keV, near the viable 2DConA BL energy limit. Work conducted under the auspices of the U.S. DOE by LANL under contract DE-AC52-06NA25396.

  14. Static electric dipole polarizabilities for isoelectronic sequences. II. Open-shell S statesa2

    Science.gov (United States)

    Koch, Volker; Andrae, Dirk

    2013-07-01

    We present static electric dipole polarizabilities α d( Z,N) from numerical nonrelativistic restricted Hartree-Fock (RHF) finite-field calculations for high-spin open-shell S states ( L = 0) of atoms and isoelectronic ions with N ≤ 55 electrons. All these S states result from one or more half-filled shells. For eight isoelectronic sequences, those with N = 3, 7, 11, 15, 23, 29, 33 or 41 electrons where the electronic ground state of the neutral or nearly neutral members is conserved upon increase of the nuclear charge number Z, polarizability data are given for ions with charge number Q = Z - N up to Q = 90. In addition, these data are represented in terms of rational functions of Q (with absolute value of the relative error of the fit always below 4%). The rational functions are comparable to the classical nonrelativistic result α d( Z,1) = 4.5 / Z 4 = 4.5 / ( Q + 1)4 for the polarizability of the 2S ground state of a hydrogen-like system. Our results also contribute to constitute a reference database (i) for algebraic approaches relying on basis functions, and (ii) for the discussion of relativistic and correlation effects on polarizabilities along isoelectronic sequences.

  15. Contemporary models of the atomic nucleus

    CERN Document Server

    Nemirovskii, P E

    2013-01-01

    Contemporary Models of the Atomic Nucleus discusses nuclear structure and properties, expounding contemporary theoretical concepts of the low-energy nuclear processes underlying in nuclear models. This book focuses on subjects such as the optical nuclear model, unified or collective model, and deuteron stripping reaction. Other topics discussed include the basic nuclear properties; shell model; theoretical analysis of the shell model; and radiative transitions and alpha-decay. The deuteron theory and the liquid drop nuclear model with its application to fission theory are also mentioned, but o

  16. Measurement of conversion electrons with the $^{208}Pb(p,n)^{208}Bi$ reaction and derivation of the shell model proton neutron hole interaction from the properties of $^{208}Bi$

    CERN Document Server

    Maier, K H; Dracoulis, G D; Boutachkov, P; Aprahamian, A; Byrne, A P; Davidson, P M; Lane, G L; Marie-Jeanne, Mélanie; Nieminen, P; Watanabe, H

    2007-01-01

    Conversion electrons from 208Bi have been measured using singles and coincidence techniques with the 208Pb(p,n)208Bi reaction at 9 MeV. The new information on multipolarities and spins complements that available from recent gamma-gamma-coincidence studies with the same reaction [Boutachkov et al., Nucl. Phys. A768, 22 (2006)]. The results on electromagnetic decays taken together with information on spectroscopic factors from earlier single-particle transfer reaction measurements represent an extensive data set on the properties of the one-proton one-neutron-hole states below 3 MeV, a spectrum which is virtually complete. Comparison of the experimental observables, namely, energies, spectroscopic factors, and gamma-branching ratios, with those calculated within the shell model allows extraction of the matrix elements of the shell model residual interaction. More than 100 diagonal and nondiagonal elements can be determined in this way, through a least squares fit to the experimental data. This adjustment of the...

  17. Structure of neutron-rich nuclei around the N = 126 closed shell; the yrast structure of {sup 205}Au{sub 126} up to spin-parity I{sup {pi}} = (19/2{sup +})

    Energy Technology Data Exchange (ETDEWEB)

    Podolyak, Zs.; Steer, S.J.; Pietri, S.; Regan, P.H.; Brandau, C.; Catford, W.N.; Cullen, I.J.; Gelletly, W.; Jones, G.A.; Liu, Z.; Walker, P.M. [University of Surrey, Department of Physics, Guildford (United Kingdom); Gorska, M.; Gerl, J.; Wollersheim, H.J.; Grawe, H.; Becker, F.; Geissel, H.; Kelic, A.; Kojouharov, I.; Kurz, N.; Montes, F.; Prokopowicz, W.; Saito, T.; Schaffner, H.; Tashenov, S.; Werner-Malento, E. [GSI, Darmstadt (Germany); Rudolph, D.; Hoischen, R. [Lund University, Department of Physics, Lund (Sweden); Garnsworthy, A.B. [University of Surrey, Department of Physics, Guildford (United Kingdom); Yale University, WNSL, New Haven, CT (United States); Maier, K.H. [Institute of Nuclear Physics, Krakow (Poland); University of the West of Scotland, Dept. of Physics, Paisley (United Kingdom); Bednarczyk, P.; Grebosz, J. [GSI, Darmstadt (Germany); Institute of Nuclear Physics, Krakow (Poland); Caceres, L. [GSI, Darmstadt (Germany); Universidad Autonoma de Madrid, Dept. de Fisica Teorica, Madrid (Spain); Doornenbal, P. [GSI, Darmstadt (Germany); Universitaet zu Koeln, IKP, Koeln (Germany); Heinz, A. [Yale University, WNSL, New Haven, CT (United States); Kurtukian-Nieto, T. [Universidad de Santiago de Compostela, Santiago de Campostela (Spain); Benzoni, G.; Wieland, O. [Universita degli Studi di Milano (Italy); INFN, Milano (Italy); Pfuetzner, M. [Warsaw University, IEP, Warsaw (Poland); Jungclaus, A. [Universidad Autonoma de Madrid, Dept. de Fisica Teorica, Madrid (Spain); Balabanski, D.L. [Bulgarian Academy of Sciences, INRNE, Sofia (Bulgaria); Brown, B.A. [Univ. of Surrey, Dept. of Physics, Guildford (United Kingdom); Michigan State Univ., NSCL, East Lansing, MI (United States); Bruce, A.M.; Lalkovski, S. [Univ. of Brighton, School of Environment and Technology, Brighton (United Kingdom); Dombradi, Zs. [Institute for Nuclear Research, Debrecen (Hungary); Estevez, M.E. [Instituto de Fisica Corpuscular, Valencia (Spain)] [and others

    2009-12-15

    Heavy neutron-rich nuclei have been populated through the relativistic fragmentation of a {sup 208}{sub 82} Pb beam at E/A = 1 GeV on a 2.5 g/cm{sup 2} thick Be target. The synthesised nuclei were selected and identified in-flight using the fragment separator at GSI. Approximately 300 ns after production, the selected nuclei were implanted in an {proportional_to}8 mm thick perspex stopper, positioned at the centre of the RISING {gamma} -ray detector spectrometer array. A previously unreported isomer with a half-life T{sub 1/2} = 163(5) ns has been observed in the N=126 closed-shell nucleus {sup 205}{sub 79} Au. Through {gamma}-ray singles and {gamma}-{gamma} coincidence analysis a level scheme was established. The comparison with a shell model calculation tentatively identifies the spin-parity of the excited states, including the isomer itself, which is found to be I{sup {pi}} = (19/2{sup +}). (orig.)

  18. Visualization of Bacterial Microcompartment Facet Assembly Using High-Speed Atomic Force Microscopy.

    Science.gov (United States)

    Sutter, Markus; Faulkner, Matthew; Aussignargues, Clément; Paasch, Bradley C; Barrett, Steve; Kerfeld, Cheryl A; Liu, Lu-Ning

    2016-03-09

    Bacterial microcompartments (BMCs) are proteinaceous organelles widespread among bacterial phyla. They compartmentalize enzymes within a selectively permeable shell and play important roles in CO2 fixation, pathogenesis, and microbial ecology. Here, we combine X-ray crystallography and high-speed atomic force microscopy to characterize, at molecular resolution, the structure and dynamics of BMC shell facet assembly. Our results show that preformed hexamers assemble into uniformly oriented shell layers, a single hexamer thick. We also observe the dynamic process of shell facet assembly. Shell hexamers can dissociate from and incorporate into assembled sheets, indicating a flexible intermolecular interaction. Furthermore, we demonstrate that the self-assembly and dynamics of shell proteins are governed by specific contacts at the interfaces of shell proteins. Our study provides novel insights into the formation, interactions, and dynamics of BMC shell facets, which are essential for the design and engineering of self-assembled biological nanoreactors and scaffolds based on BMC architectures.

  19. Ab Initio Study of the Atomic Level Structure of the Rutile TiO2(110)-Titanium Nitride (TiN) Interface.

    Science.gov (United States)

    Gutiérrez Moreno, José Julio; Nolan, Michael

    2017-11-01

    Titanium nitride (TiN) is widely used in industry as a protective coating due to its hardness and resistance to corrosion and can spontaneously form a thin oxide layer when it is exposed to air, which could modify the properties of the coating. With limited understanding of the TiO2-TiN interfacial system at present, this work aims to describe the structural and electronic properties of oxidized TiN based on a density functional theory (DFT) study of the rutile TiO2(110)-TiN(100) interface model system, also including Hubbard +U correction on Ti 3d states. The small lattice mismatch gives a good stability to the TiO2-TiN interface after depositing the oxide onto TiN through the formation of interfacial Ti-O bonds. Our DFT+U study shows the presence of Ti3+ cations in the TiO2 region, which are preferentially located next to the interface region as well as the rotation of the rutile TiO2 octahedra in the interface structure. The DFT+U TiO2 electronic density of states (EDOS) shows localized Ti3+ defect states forming in the midgap between the top edge of the valence and the bottom of the conduction band. We increase the complexity of our models by the introduction of nonstoichiometric compositions. Although the vacancy formation energies for Ti in TiN (Evac (Ti) ≥ 4.03 eV) or O in the oxide (Evac (O) ≥ 3.40 eV) are quite high relative to perfect TiO2-TiN, defects are known to form during the oxide growth and can therefore be present after TiO2 formation. Our results show that a structure with exchanged O and N can lie 0.82 eV higher in energy than the perfect system, suggesting the stability of structures with interdiffused O and N anions at ambient conditions. The presence of N in TiO2 introduces N 2p states localized between the top edge of the O 2p valence states and the midgap Ti3+ 3d states, thus reducing the band gap in the TiO2 region for the exchanged O/N interface EDOS. The outcomes of these simulations give us a most comprehensive insight on the atomic

  20. Atomic arias

    Science.gov (United States)

    Crease, Robert P.

    2009-01-01

    The American composer John Adams uses opera to dramatize controversial current events. His 1987 work Nixon in China was about the landmark meeting in 1972 between US President Richard Nixon and Chairman Mao Zedong of China; The Death of Klinghoffer (1991) was a musical re-enactment of an incident in 1985 when Palestinian terrorists kidnapped and murdered a wheelchair-bound Jewish tourist on a cruise ship. Adams's latest opera, Doctor Atomic, is also tied to a controversial event: the first atomic-bomb test in Alamogordo, New Mexico, on 16 June 1945. The opera premièred in San Francisco in 2005, had a highly publicized debut at the Metropolitan Opera in New York in 2008, and will have another debut on 25 February - with essentially the same cast - at the English National Opera in London.

  1. Atomic rivals

    Energy Technology Data Exchange (ETDEWEB)

    Goldschmidt, B.

    1990-01-01

    This book is a memoir of rivalries among the Allies over the bomb, by a participant and observer. Nuclear proliferation began in the uneasy wartime collaboration of the United States, England, Canada, and Free France to produce the atom bomb. Through the changes of history, a young French chemist had a role in almost every act of this international drama. This memoir is based on Goldschmidt's own recollections, interviews with other leading figures, and 3,000 pages of newly declassified documents in Allied archives. From his own start as Marie Curie's lab assistant, Goldschmidt's career was closely intertwined with Frances complicated rise to membership in the nuclear club. As a refugee from the Nazis, he became part of the wartime nuclear energy project in Canada and found himself the only French scientist to work (although briefly) on the American atom bomb project.

  2. In-shell pistachio nuts reduce caloric intake compared to shelled nuts.

    Science.gov (United States)

    Honselman, Carla S; Painter, James E; Kennedy-Hagan, Karla J; Halvorson, Amber; Rhodes, Kathy; Brooks, Tamatha L; Skwir, Kaitlin

    2011-10-01

    It was hypothesized that consuming in-shell pistachios, compared to shelled pistachios, causes individuals to consume less. A convenience sample of students at a mid-western university (n=140) was recruited, asking them to evaluate a variety of brands of pistachios. A survey at the end of class determined fullness and satisfaction. Subjects entering the classroom were given a 16-ounce cup and asked to self-select a portion of pistachios. Portion weight was recorded and subjects consumed pistachios at their leisure during class. At class end, pistachios remaining in the cup were weighed and total consumption by weight was determined. The caloric content of each portion was then calculated. In condition one, subjects offered in-shell pistachios consumed an average of 125 calories. In condition two, subjects offered shelled pistachios consumed an average of 211 calories; a difference of 86 calories. Subjects in condition one consumed 41% fewer calories compared to subjects in condition two (p≤.01). Fullness and satisfaction ratings were not significantly different (p≥.01). Caloric intake was influenced by the initial form of the food. The difference in calories consumed may be due to the additional time needed to shell the nuts or the extra volume perceived when consuming in-shell nuts. Copyright © 2011 Elsevier Ltd. All rights reserved.

  3. Temporal structures in shell models

    DEFF Research Database (Denmark)

    Okkels, F.

    2001-01-01

    The intermittent dynamics of the turbulent Gledzer, Ohkitani, and Yamada shell-model is completely characterized by a single type of burstlike structure, which moves through the shells like a front. This temporal structure is described by the dynamics of the instantaneous configuration of the shell...

  4. Shell nu zelf onder vuur!

    NARCIS (Netherlands)

    ir.ing Ruud Thelosen

    2011-01-01

    Shell heeft zich in de Tweede Kamer moeten verantwoorden voor haar activiteiten in Nigeria. Daarnaast loopt er ook een rechtzaak tegen Shell aangespannen door Milieudefensie namens een groepje gedupeerde Nigeriaanse boeren en viseers. In de VS heeft Shell al een megaboete moeten betalen.

  5. Temporal Structures in Shell Models

    OpenAIRE

    Okkels, Fridolin

    2000-01-01

    The intermittent dynamics of the turbulent GOY shell-model is characterised by a single type of burst-like structure, which moves through the shells like a front. This temporal structure is described by the dynamics of the instantaneous configuration of the shell-amplitudes revealing a approximative chaotic attractor of the dynamics.

  6. Substrate impact on the low-temperature growth of GaN thin films by plasma-assisted atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Kizir, Seda; Haider, Ali; Biyikli, Necmi, E-mail: biyikli@unam.bilkent.edu.tr [National Nanotechnology Research Center (UNAM), Bilkent University, Bilkent, Ankara 06800, Turkey and Institute of Materials Science and Nanotechnology, Bilkent University, Bilkent, Ankara 06800 (Turkey)

    2016-07-15

    Gallium nitride (GaN) thin films were grown on Si (100), Si (111), and c-plane sapphire substrates at 200 °C via hollow-cathode plasma-assisted atomic layer deposition (HCPA-ALD) using GaEt{sub 3} and N{sub 2}/H{sub 2} plasma as group-III and V precursors, respectively. The main aim of the study was to investigate the impact of substrate on the material properties of low-temperature ALD-grown GaN layers. Structural, chemical, and optical characterizations were carried out in order to evaluate and compare film quality of GaN on different substrates. X-ray reflectivity measurements showed film density values of 5.70, 5.74, and 5.54 g/cm{sup 3} for GaN grown on Si (100), Si (111), and sapphire, respectively. Grazing incidence x-ray diffraction measurements exhibited hexagonal wurtzite structure in all HCPA-ALD grown GaN samples. However, dominant diffraction peak for GaN films grown on Si and sapphire substrates were detected differently as (002) and (103), respectively. X-ray diffraction gonio scans measured from GaN grown on c-plane sapphire primarily showed (002) orientation. All samples exhibited similar refractive index values (∼2.17 at 632 nm) with 2–3 at. % of oxygen impurity existing within the bulk of the films. The grain size was calculated as ∼9–10 nm for GaN grown on Si (100) and Si (111) samples while it was ∼5 nm for GaN/sapphire sample. Root-mean-square surface roughness values found as 0.68, 0.76, and 1.83 nm for GaN deposited on Si (100), Si (111), and sapphire, respectively. Another significant difference observed between the samples was the film growth per cycle: GaN/sapphire sample showed a considerable higher thickness value when compared with GaN/Si samples, which might be attributed to a possibly more-efficient nitridation and faster nucleation of sapphire surface.

  7. Sampling the Hydrogen Atom

    Directory of Open Access Journals (Sweden)

    Graves N.

    2013-01-01

    Full Text Available A model is proposed for the hydrogen atom in which the electron is an objectively real particle orbiting at very near to light speed. The model is based on the postulate that certain velocity terms associated with orbiting bodies can be considered as being af- fected by relativity. This leads to a model for the atom in which the stable electron orbits are associated with orbital velocities where Gamma is n /α , leading to the idea that it is Gamma that is quantized and not angular momentum as in the Bohr and other models. The model provides a mechanism which leads to quantization of energy levels within the atom and also provides a simple mechanical explanation for the Fine Struc- ture Constant. The mechanism is closely associated with the Sampling theorem and the related phenomenon of aliasing developed in the mid-20th century by engineers at Bell labs.

  8. Comparison of trimethylgallium and triethylgallium as “Ga” source materials for the growth of ultrathin GaN films on Si (100) substrates via hollow-cathode plasma-assisted atomic layer deposition

    Energy Technology Data Exchange (ETDEWEB)

    Alevli, Mustafa, E-mail: mustafaalevli@marmara.edu.tr [Department of Physics, Marmara University, Göztepe Kadıköy, 34722 İstanbul (Turkey); Haider, Ali; Kizir, Seda; Leghari, Shahid A.; Biyikli, Necmi, E-mail: biyikli@unam.bilkent.edu.tr [Institute of Materials Science and Nanotechnology, Bilkent University, Bilkent, 06800 Ankara, Turkey and National Nanotechnology Research Center (UNAM), Bilkent University, Bilkent, 06800 Ankara (Turkey)

    2016-01-15

    GaN films grown by hollow cathode plasma-assisted atomic layer deposition using trimethylgallium (TMG) and triethylgallium (TEG) as gallium precursors are compared. Optimized and saturated TMG/TEG pulse widths were used in order to study the effect of group-III precursors. The films were characterized by grazing incidence x-ray diffraction, atomic force microscopy, x-ray photoelectron spectroscopy, and spectroscopic ellipsometry. Refractive index follows the same trend of crystalline quality, mean grain, and crystallite sizes. GaN layers grown using TMG precursor exhibited improved structural and optical properties when compared to GaN films grown with TEG precursor.

  9. Shell closures in Fl superheavy isotopes via determination of alpha decay preformation factor

    Science.gov (United States)

    Alsaif, Norah A. M.; Radiman, Shahidan; Saleh Ahmed, Saad M.

    2017-10-01

    Based on the hypothesized cluster-formation model (CFM), the α-decay preformation factors of superheavy isotopes of Flerovium (Fl) with atomic number Z = 114 and neutron numbers 150 ≤ N ≤ 196 were determined. The formula from the CFM used depends on the eigenvalues of the cluster-formation energy of the α particles and the total energy values of the parent nuclei. The binding energy difference was used to determine these values. The results from the calculations for these isotopes reflect some properties of their nuclear structure. Within the CFM, the prediction of the magic nucleus occurs at N = 172 and Z = 114. Our results indicate towards the existence of shell closure of the stabilization superheavy nuclei.

  10. Application of chitosan and its N-heterocyclic derivatives for preconcentration of noble metal ions and their determination using atomic absorption spectrometry.

    Science.gov (United States)

    Azarova, Yu A; Pestov, A V; Ustinov, A Yu; Bratskaya, S Yu

    2015-12-10

    Chitosan and its N-heterocyclic derivatives N-2-(2-pyridyl)ethylchitosan (2-PEC), N-2-(4-pyridyl) ethylchitosan (4-PEC), and N-(5-methyl-4-imidazolyl) methylchitosan (IMC) have been applied in group preconcentration of gold, platinum, and palladium for subsequent determination by atomic absorption spectroscopy (AAS) in solutions with high background concentrations of iron and sodium ions. It has been shown that the sorption mechanism, which was elucidated by XPS, significantly influences the sorption capacity of materials, the efficiency of metal ions elution after preconcentration, and, as a result, the accuracy of metal determination by AAS. We have shown that native chitosan was not suitable for preconcentration of Au(III), if the elution step was used as a part of the analysis scheme. The group preconcentration of Au(III), Pd(II), and Pt(IV) with subsequent quantitative elution using 0.1M HCl/1M thiourea solution was possible only on IMC and 4-PEC. Application of IMC for analysis of the national standard quartz ore sample proved that gold could be accurately determined after preconcentration/elution with the recovery above 80%. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. Work function tuning of plasma-enhanced atomic layer deposited WC{sub x}N{sub y} electrodes for metal/oxide/semiconductor devices

    Energy Technology Data Exchange (ETDEWEB)

    Zonensain, Oren; Fadida, Sivan; Eizenberg, Moshe [Department of Materials Science and Engineering, Technion-Israel Institute of Technology, Haifa 32000 (Israel); Fisher, Ilanit; Gao, Juwen; Chattopadhyay, Kaushik; Harm, Greg; Mountsier, Tom; Danek, Michal [Lam Research Corporation, 4000 N. First Street, San Jose, California 95134 (United States)

    2015-02-23

    One of the main challenges facing the integration of metals as gate electrodes in advanced MOS devices is control over the Fermi level position at the metal/dielectric interface. In this study, we demonstrate the ability to tune the effective work function (EWF) of W-based electrodes by process modifications of the atomic layer deposited (ALD) films. Tungsten carbo-nitrides (WC{sub x}N{sub y}) films were deposited via plasma-enhanced and/or thermal ALD processes using organometallic precursors. The process modifications enabled us to control the stoichiometry of the WC{sub x}N{sub y} films. Deposition in hydrogen plasma (without nitrogen based reactant) resulted in a stoichiometry of WC{sub 0.4} with primarily W-C chemical bonding, as determined by x-ray photoelectron spectroscopy. These films yielded a relatively low EWF of 4.2 ± 0.1 eV. The introduction of nitrogen based reactant to the plasma or the thermal ALD deposition resulted in a stoichiometry of WC{sub 0.1}N{sub 0.6–0.8} with predominantly W-N chemical bonding. These films produced a high EWF of 4.7 ± 0.1 eV.

  12. From middens to modern estuaries, oyster shells sequester source-specific nitrogen

    Science.gov (United States)

    Darrow, Elizabeth S.; Carmichael, Ruth H.; Andrus, C. Fred T.; Jackson, H. Edwin

    2017-04-01

    Oysters (Crassostrea virginica) were an important food resource for native peoples of the northern Gulf of Mexico, who deposited waste shells in middens. Nitrogen (N) stable isotopes (δ15N) in bivalve shells have been used as modern proxies for estuarine N sources because they approximate δ15N in suspended particulate matter. We tested the use of midden shell δ15N as a proxy for ancient estuarine N sources. We hypothesized that isotopic signatures in ancient shells from coastal Mississippi would differ from modern shells due to increased anthropogenic N sources, such as wastewater, through time. We decalcified shells using an acidification technique previously developed for modern bivalves, but modified to determine δ15N, δ13C, %N, and % organic C of these low-N, high-C specimens. The modified method resulted in the greatest percentage of usable data from midden shells. Our results showed that oyster shell δ15N did not significantly differ between ancient (500-2100 years old) and modern oysters from the same locations where the sites had undergone relatively little land-use change. δ15N values in modern shells, however, were positively correlated with water column nitrate concentrations associated with urbanization. When N content and total shell mass were combined, we estimated that middens sequestered 410-39,000 kg of relic N, buried at a rate of up to 5 kg N m-2 yr-1. This study provides a relatively simple technique to assess baseline conditions in ecosystems over long time scales by demonstrating that midden shells can be an indicator of pre-historic N source to estuaries and are a potentially significant but previously uncharacterized estuarine N sink.

  13. Epitaxial growth of a monolayer WSe2-MoS2 lateral p-n junction with an atomically sharp interface

    Science.gov (United States)

    Li, Ming-Yang; Shi, Yumeng; Cheng, Chia-Chin; Lu, Li-Syuan; Lin, Yung-Chang; Tang, Hao-Lin; Tsai, Meng-Lin; Chu, Chih-Wei; Wei, Kung-Hwa; He-Hau, Jr.; Chang, Wen-Hao; Suenaga, Kazu; Li, Lain-Jong

    2015-07-01

    Two-dimensional transition metal dichalcogenides (TMDCs) such as molybdenum sulfide MoS2 and tungsten sulfide WSe2 have potential applications in electronics because they exhibit high on-off current ratios and distinctive electro-optical properties. Spatially connected TMDC lateral heterojunctions are key components for constructing monolayer p-n rectifying diodes, light-emitting diodes, photovoltaic devices, and bipolar junction transistors. However, such structures are not readily prepared via the layer-stacking techniques, and direct growth favors the thermodynamically preferred TMDC alloys. We report the two-step epitaxial growth of lateral WSe2-MoS2 heterojunction, where the edge of WSe2 induces the epitaxial MoS2 growth despite a large lattice mismatch. The epitaxial growth process offers a controllable method to obtain lateral heterojunction with an atomically sharp interface.

  14. Pulse splitting in light propagation through N -type atomic media due to an interplay of Kerr nonlinearity and group-velocity dispersion

    Science.gov (United States)

    Rajitha K., V.; Dey, Tarak N.; Evers, Jörg; Kiffner, Martin

    2015-08-01

    We investigate the spatiotemporal evolution of a Gaussian probe pulse propagating through a four-level N -type atomic medium. At two-photon resonance of probe and control fields, weaker probe pulses may propagate through the medium with low absorption and pulse shape distortion. In contrast, we find that increasing the probe pulse intensity leads to a splitting of the initially Gaussian pulse into a sequence of subpulses in the time domain. The number of subpulses arising throughout the propagation can be controlled via a suitable choice of the probe and control field parameters. Employing a simple theoretical model for the nonlinear pulse propagation, we conclude that the splitting occurs due to an interplay of Kerr nonlinearity and group-velocity dispersion.

  15. Epitaxial growth of a monolayer WSe2-MoS2 lateral p-n junction with an atomically sharp interface

    KAUST Repository

    Li, Ming Yang

    2015-07-30

    Two-dimensional transition metal dichalcogenides (TMDCs) such as molybdenum sulfide MoS2 and tungsten sulfide WSe2 have potential applications in electronics because they exhibit high on-off current ratios and distinctive electro-optical properties. Spatially connected TMDC lateral heterojunctions are key components for constructing monolayer p-n rectifying diodes, light-emitting diodes, photovoltaic devices, and bipolar junction transistors. However, such structures are not readily prepared via the layer-stacking techniques, and direct growth favors the thermodynamically preferred TMDC alloys. We report the two-step epitaxial growth of lateral WSe2-MoS2 heterojunction, where the edge of WSe2 induces the epitaxial MoS2 growth despite a large lattice mismatch. The epitaxial growth process offers a controllable method to obtain lateral heterojunction with an atomically sharp interface.

  16. NANOELECTRONICS. Epitaxial growth of a monolayer WSe2-MoS2 lateral p-n junction with an atomically sharp interface.

    Science.gov (United States)

    Li, Ming-Yang; Shi, Yumeng; Cheng, Chia-Chin; Lu, Li-Syuan; Lin, Yung-Chang; Tang, Hao-Lin; Tsai, Meng-Lin; Chu, Chih-Wei; Wei, Kung-Hwa; He, Jr-Hau; Chang, Wen-Hao; Suenaga, Kazu; Li, Lain-Jong

    2015-07-31

    Two-dimensional transition metal dichalcogenides (TMDCs) such as molybdenum sulfide MoS2 and tungsten sulfide WSe2 have potential applications in electronics because they exhibit high on-off current ratios and distinctive electro-optical properties. Spatially connected TMDC lateral heterojunctions are key components for constructing monolayer p-n rectifying diodes, light-emitting diodes, photovoltaic devices, and bipolar junction transistors. However, such structures are not readily prepared via the layer-stacking techniques, and direct growth favors the thermodynamically preferred TMDC alloys. We report the two-step epitaxial growth of lateral WSe2-MoS2 heterojunction, where the edge of WSe2 induces the epitaxial MoS2 growth despite a large lattice mismatch. The epitaxial growth process offers a controllable method to obtain lateral heterojunction with an atomically sharp interface. Copyright © 2015, American Association for the Advancement of Science.

  17. Real-time growth study of plasma assisted atomic layer epitaxy of InN films by synchrotron x-ray methods

    Energy Technology Data Exchange (ETDEWEB)

    Nepal, Neeraj [U.S. Naval Research Laboratory, 4555 Overlook Avenue SW, Washington, DC 20375; Anderson, Virginia R. [American Society for Engineering Education, 1818 N Street NW, Washington, DC 20036; Johnson, Scooter D. [U.S. Naval Research Laboratory, 4555 Overlook Avenue SW, Washington, DC 20375; Downey, Brian P. [U.S. Naval Research Laboratory, 4555 Overlook Avenue SW, Washington, DC 20375; Meyer, David J. [U.S. Naval Research Laboratory, 4555 Overlook Avenue SW, Washington, DC 20375; DeMasi, Alexander [Physics Department, Boston University, 590 Commonwealth Avenue, Boston, Massachusetts 02215; Robinson, Zachary R. [Department of Physics, SUNY College at Brockport, 350 New Campus Dr, Brockport, New York 14420; Ludwig, Karl F. [Physics Department, Boston University, 590 Commonwealth Avenue, Boston, Massachusetts 02215; Eddy, Charles R. [U.S. Naval Research Laboratory, 4555 Overlook Avenue SW, Washington, DC 20375

    2017-03-13

    The temporal evolution of high quality indium nitride (InN) growth by plasma-assisted atomic layer epitaxy (ALEp) on a-plane sapphire at 200 and 248 °C was probed by synchrotron x-ray methods. The growth was carried out in a thin film growth facility installed at beamline X21 of the National Synchrotron Light Source at Brookhaven National Laboratory and at beamline G3 of the Cornell High Energy Synchrotron Source, Cornell University. Measurements of grazing incidence small angle x-ray scattering (GISAXS) during the initial cycles of growth revealed a broadening and scattering near the diffuse specular rod and the development of scattering intensities due to half unit cell thick nucleation islands in the Yoneda wing with correlation length scale of 7.1 and 8.2 nm, at growth temperatures (Tg) of 200 and 248 °C, respectively. At about 1.1 nm (two unit cells) of growth thickness nucleation islands coarsen, grow, and the intensity of correlated scattering peak increased at the correlation length scale of 8.0 and 8.7 nm for Tg = 200 and 248 °C, respectively. The correlated peaks at both growth temperatures can be fitted with a single peak Lorentzian function, which support single mode growth. Post-growth in situ x-ray reflectivity measurements indicate a growth rate of ~0.36 Å/cycle consistent with the growth rate previously reported for self-limited InN growth in a commercial ALEp reactor. Consistent with the in situ GISAXS study, ex situ atomic force microscopy power spectral density measurements also indicate single mode growth. Electrical characterization of the resulting film revealed an electron mobility of 50 cm2/V s for a 5.6 nm thick InN film on a-plane sapphire, which is higher than the previously reported mobility of much thicker InN films grown at higher temperature by molecular beam epitaxy directly on sapphire. These early results indicated that in situ synchrotron x-ray study of the epitaxial growth kinetics of InN films is a very powerful method to

  18. Nanoindentación basada en espectroscopia de fuerzas con un microscopio de fuerza atómica Nanoindentation based on force spectroscopy with an atomic force

    Directory of Open Access Journals (Sweden)

    Mauricio Arroyave Franco

    2008-12-01

    Full Text Available Se presenta la implementación de un método para indentar superficies rígidas a nanoescala utilizando un microscopio de fuerza atómica (Atomic Force Mi-croscopy–AFM. Esta se basa en el modo de espectroscopia de fuerzas (Force Spectroscopy–FS que usualmente se encuentra disponible en los AFM, la cual permite generar un movimiento vertical de la punta AFM sin desplazamiento lateral. Se hizo necesario caracterizar la fuerza aplicada por el AFM para producir la indentación a través de la determinación del factor de sensitividad de la viga AFM. Se pudieron obtener curvas de fuerza versus desplazamiento, características de los sistemas para nanoindentación dinámica Depth–Sensing Indentation (DSI, sin embargo estas curvas no son aptas para diagnóstico de propiedades mecánicas por el método de Oliver & Pharr. Fueron generadas huellas de indentación del orden de 1 nm de profundidad sobre silicio poli-cristalino y del orden de 50 nm de profundidad sobre aluminio aleado 6261. Estos resultados son prometedores en apliaciones con materiales de la era de la nanotecnología que deben ser evaluados en dichas escalas.An implementation of the method for surface indentation based on Atomic Force Microscopy (AFM, is presented. The implementation was done using the Force Spectroscopy (FS usually enabled on this instruments which allow vertical movement of the AFM tip without lateral displacement. Determination of the sensitive factor of the AFM cantilever was necessary to know the applied forces in the indentation process. Force versus depth curves similar to Depth–Sensing Indentation (DSI curves were obtained however these cannot be used for mechanical diagnostics with Oliver & Pharr method. Indentations about 1 nm and 50 nm of depth on polycrystalline Silicon and 6261 Aluminium alloy respectively were produced. These open important applicationsin materials nanotechnology.

  19. Photoionization of open-shell Cl@C60

    Science.gov (United States)

    Shields, Dakota; de, Ruma; Madjet, Mohamed; Manson, Steven T.; Chakraborty, Himadri

    2017-04-01

    The ground state of the atomically open-shell Cl@C60 endofullerene molecule is modeled in a spherical local density approximation (LDA) augmented by the Leeuwen and Baerends exchange-correlation functional where the core of sixty C4+ ions is jelliumized. A time-dependent LDA (TDLDA) method is subsequently applied to calculate the dipole photoionization parameters of the endohedral molecule. Cross sections for the photoemission from atom-fullerene hybrid levels show the effects of both C60 plasmon and atomic Coulomb dynamics, as well as the interference between them. At higher energies, the coherence of confinement and cavity oscillations dominates the structures of the spectra. Detailed comparison with the results from Ar@C60, which involves the nearby close-shell atom in the periodic table, provides deeper insights into the role of a single shell-closing electron to noticeably influence the ionization dynamics. The work is supported by the US National Science foundation and the US Department of Energy.

  20. Oxide Shell Reduction and Magnetic Property Changes in Core-Shell Fe Nanoclusters under Ion Irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Sundararajan, Jennifer A.; Kaur, Maninder; Jiang, Weilin; McCloy, John S.; Qiang, You

    2014-02-12

    Ion irradiation effects are studied on the Fe-based core-shell nanocluster (NC) films with core as Fe and shell as Fe3O4/FeO. These NC films were were deposited on Si substrates to thickness of ~0.5 micrometers using a NC deposition system. The films were irradiated at room temperature with 5.5 MeV Si2+ ions to ion fluences of 1015 and 1016 ions/cm2. It is found that the irradiation induces grain growth, Fe valence reduction in the shell, and crystallization of Fe3N. The nature and mechanism of oxide shell reduction and composition dependence after irradiation were studied by synthesizing additional NC films of Fe3O4 and FeO+Fe3N and irradiating them under the same conditions. The presence of nanocrystalline Fe is found to be a major factor for the oxide shell reduction. The surface morphologies of these films show dramatic changes in the microstructures due to cluster growth and agglomeration as a result of ion irradiation.

  1. A novel approach for the preparation of PMMA-PDMS core-shell particles with PDMS in the shell

    Energy Technology Data Exchange (ETDEWEB)

    Deng Xiaobo [Chengdu Institute of Organic Chemistry, Graduate School of CAS, Chinese Academy of Sciences, Chengdu 610041 (China); Liu Bailing [Chengdu Institute of Organic Chemistry, Graduate School of CAS, Chinese Academy of Sciences, Chengdu 610041 (China)]. E-mail: blliuchem@hotmail.com; Cao Shunsheng [Chengdu Institute of Organic Chemistry, Graduate School of CAS, Chinese Academy of Sciences, Chengdu 610041 (China); Luo Rong [Chengdu Institute of Organic Chemistry, Graduate School of CAS, Chinese Academy of Sciences, Chengdu 610041 (China); Chen Hualin [Chengdu Institute of Organic Chemistry, Graduate School of CAS, Chinese Academy of Sciences, Chengdu 610041 (China)

    2007-03-30

    The core/shell particles consisting of polymethyl methacrylate (PMMA) core and polydimethylsiloxane (PDMS) shell via 3-(methacryloxypropyl)-trimethoxysilane (MPS) as the medium to link the core and shell were prepared in our present study by successive seeding polymerization under kinetically controlled conditions and were characterized by FT-IR, particle size analyzer, transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). The picture of optical microscope showed the clear form of PDMS-0 and PDMS-40 (the content of PDMS in the particles), which approached to monodispersed distribution. Compared with the PMMA microspheres, PDMS-40 presented an evident core/shell structure through the observation of TEM. Additionally, the study of XPS revealed that PDMS could be grafted onto the surface of PMMA particles and the atomic ratio of C/Si on the surface of PDMS-40 was very close to the ratio of C/Si in the molecule of PDMS. The surface properties of the films produced from the core/shell microspheres also were investigated by contact angle method, contrast with the homopolymer of PMMA, the core/shell particles were more effective to form hydrophobic surface and the water repellency on the surface would be better than that of PMMA.

  2. Doping of SnO2 with H atoms: An alternative way to attain n-type conductivity

    Directory of Open Access Journals (Sweden)

    Luis Villamagua

    2016-11-01

    Full Text Available We propose an explanation for the origin of n-type electrical conductivity in SnO2 based on the results obtained from the DFT+U simulations. Two competitive intrinsic point defects, namely oxygen vacancy and hydrogen impurity, have been considered at different positions within the crystalline lattice in order to find out the equilibrium configurations and to analyze corresponding density of states (DOS patterns along with the electron localization function (ELF. It has been demonstrated that hydrogen could be solely responsible for the n-type conductivity whereas the oxygen vacancy appears to have not a notable influence upon it. The computational analysis is backed up by some experimental data for undoped tin dioxide.

  3. Ionic liquid gating on atomic layer deposition passivated GaN: Ultra-high electron density induced high drain current and low contact resistance

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Hong; Du, Yuchen; Ye, Peide D., E-mail: yep@purdue.edu [School of Electrical and Computer Engineering and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States)

    2016-05-16

    Herein, we report on achieving ultra-high electron density (exceeding 10{sup 14 }cm{sup −2}) in a GaN bulk material device by ionic liquid gating, through the application of atomic layer deposition (ALD) of Al{sub 2}O{sub 3} to passivate the GaN surface. Output characteristics demonstrate a maximum drain current of 1.47 A/mm, the highest reported among all bulk GaN field-effect transistors, with an on/off ratio of 10{sup 5} at room temperature. An ultra-high electron density exceeding 10{sup 14 }cm{sup −2} accumulated at the surface is confirmed via Hall-effect measurement and transfer length measurement. In addition to the ultra-high electron density, we also observe a reduction of the contact resistance due to the narrowing of the Schottky barrier width on the contacts. Taking advantage of the ALD surface passivation and ionic liquid gating technique, this work provides a route to study the field-effect and carrier transport properties of conventional semiconductors in unprecedented ultra-high charge density regions.

  4. DFT calculation of core- and valence-shell electron excitation and ionization energies of 2,1,3-benzothiadiazole C{sub 6}H{sub 4}SN{sub 2}, 1,3,2,4-benzodithiadiazine C{sub 6}H{sub 4}S{sub 2}N{sub 2}, and 1,3,5,2,4-benzotrithiadiazepine C{sub 6}H{sub 4}S{sub 3}N{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Takahata, Yuji, E-mail: taka@iqm.unicamp.br [Amazonas State University, Av. Darcy Vargas, 1200, Parque 10, 69065-020 Manaus, AM (Brazil); Institute of Chemistry, University of Campinas - UNICAMP, 13084-862 Campinas, SP (Brazil); Chong, Delano P. [Department of Chemistry, 2036 Main Mall, University of British Columbia, Vancouver, BC, Canada V6T 1Z1 (Canada)

    2012-11-15

    Highlights: Black-Right-Pointing-Pointer DFT calculations resulted average error of 0.14 eV for VIP, and 0.4 for CEBE. Black-Right-Pointing-Pointer The multiplet approximation (MA) resulted average error of 0.56 eV for core excitation energies. Black-Right-Pointing-Pointer A shifted energy method to calculated core-electron excitation energy was proposed. Black-Right-Pointing-Pointer The method is based on a combination between MA and TDDFT. Black-Right-Pointing-Pointer Convoluted spectra reproduce observed spectra in low energy region. -- Abstract: The vertical core- and valence-shell electron excitation and ionization energies of the three title molecules, 1-3, were calculated by density functional theory (DFT) using adequate functional for each type of processes and atoms under study. The inner shells treated were C1s, N1s, S1s, S2s, S2p. Molecular geometry was optimized by DFT B3LYP/6-311 + (d,p). The basis set of triple zeta plus polarization (TZP) Slater-type orbitals was employed for DFT calculations. The {Delta}SCF method was used to calculate ionization energies. The average absolute deviation (AAD) from experiment of 26 valence-electron ionization energies calculated by DFT for the three molecules 1-3 was 0.14 eV; while that of 24 calculated core-electron binding energies (CEBEs) from experiment was 0.4 eV. Selected core excitation energies were calculated by the multiplet approximation for the three molecules. The AAD of twelve calculated core excitation energies by the multiplet approximation that exclude S2s cases was 0.56 eV. Time-dependent DFT (TDDFT) was employed to calculate the excitation energies and corresponding oscillator strengths of core- and valence-electrons of the molecules. Some selected occupied core orbitals were used to calculate the core-excitation energies with the TDDFT (Sterner-Frozoni-Simone scheme). The core excitation energies thus calculated were in an average error of ca. 28 eV compared to observed values. They were shifted

  5. Atmospheric chemistry of CH3O(CF2CF2O)(n)CH3 (n=1-3): Kinetics and mechanism of oxidation initiated by Cl atoms and OH radicals, IR spectra, and global warmin potentials

    DEFF Research Database (Denmark)

    Andersen, Mads Peter Sulbæk; Hurley, MD; Wallington, TJ

    2004-01-01

    Smog chambers equipped with FTIR spectrometers were used to study the Cl atom and OH radical initiated oxidation of CH3O(CF2CF2O)(n)CH3 (n = 1-3) in 720 +/- 20 Torr of air at 296 +/- 3 K. Relative rate techniques were used to measure k(Cl + CH3O(CF2CF2O)(n)CH3) (3.7 +/- 10.7) x 10(-13) and k(OH +...... of 0.051, 0.058, and 0.055 (100 year time horizon, relative to CFC-11) for CH3OCF2CF2OCH3, CH3O(CF2CF2O)(2)CH3, and CH3O(CF2CF2O)(3)CH3, respectively. Results are discussed with respect to the atmospheric chemistry of hydrofluoropolyethers (HFPEs)....

  6. Novel ethylenediamine-gallium phosphate containing 6-fold coordinated gallium atoms with unusual four equatorial Ga–N bonds

    Energy Technology Data Exchange (ETDEWEB)

    Torre-Fernández, Laura [Departamentos de Química Física y Analítica y Química Orgánica e Inorgánica, Universidad de Oviedo-CINN, 33006 Oviedo (Spain); Espina, Aránzazu; Khainakov, Sergei A.; Amghouz, Zakariae [Servicios Científico Técnicos, Universidad de Oviedo, 33006 Oviedo (Spain); García, José R. [Departamentos de Química Física y Analítica y Química Orgánica e Inorgánica, Universidad de Oviedo-CINN, 33006 Oviedo (Spain); García-Granda, Santiago, E-mail: sgg@uniovi.es [Departamentos de Química Física y Analítica y Química Orgánica e Inorgánica, Universidad de Oviedo-CINN, 33006 Oviedo (Spain)

    2014-07-01

    A novel ethylenediamine-gallium phosphate, formulated as Ga(H{sub 2}NCH{sub 2}CH{sub 2}NH{sub 2}){sub 2}PO{sub 4}·2H{sub 2}O, was synthesized under hydrothermal conditions. The crystal structure, including hydrogen positions, was determined using single-crystal X-ray diffraction data (monoclinic, a=9.4886(3) Å, b=6.0374(2) Å, c=10.2874(3) Å, and β=104.226(3)°, space group Pc) and the bulk was characterized by chemical (Ga–P–C–H–N) and thermal analysis (TG–MS and DSC), including activation energy data of its thermo-oxidative degradation, powder X-ray diffraction (PXRD), solid-state nuclear magnetic resonance (SS-NMR) measurements, and transmission electron microscopy (TEM, SAED/NBD, and STEM BF-EDX). The crystal structure is built up of infinite zig-zag chains running along the c-axis, formed by vertex-shared (PO{sub 4}) and (GaO{sub 2}N{sub 4}) polyhedra. The new compound is characterized by unusual four equatorial Ga–N bonds coming from two nonequivalent ethylenediamine molecules and exhibits strong blue emission at 430 nm (λ{sub ex}=350 nm) in the solid state at room temperature. - Graphical abstract: Single crystals of a new ethylenediamine-gallium phosphate, Ga(H{sub 2}NCH{sub 2}CH{sub 2}NH{sub 2}){sub 2}PO{sub 4}·2H{sub 2}O, were obtained and the structural features presented. This structure is one of the scarce examples of GaPO with Ga–N bonds reported. - Highlights: • A novel ethylenediamine-gallium phosphate was hydrothermally synthesized. • The new compound is characterized by unusual four equatorial Ga–N bonds. • Void-volume analysis shows cages and channels with sizes ideally suited to accommodate small molecules. • The new compound exhibits strong blue emission.

  7. Atom Skimmers and Atom Lasers Utilizing Them

    Science.gov (United States)

    Hulet, Randall; Tollett, Jeff; Franke, Kurt; Moss, Steve; Sackett, Charles; Gerton, Jordan; Ghaffari, Bita; McAlexander, W.; Strecker, K.; Homan, D.

    2005-01-01

    Atom skimmers are devices that act as low-pass velocity filters for atoms in thermal atomic beams. An atom skimmer operating in conjunction with a suitable thermal atomic-beam source (e.g., an oven in which cesium is heated) can serve as a source of slow atoms for a magneto-optical trap or other apparatus in an atomic-physics experiment. Phenomena that are studied in such apparatuses include Bose-Einstein condensation of atomic gases, spectra of trapped atoms, and collisions of slowly moving atoms. An atom skimmer includes a curved, low-thermal-conduction tube that leads from the outlet of a thermal atomic-beam source to the inlet of a magneto-optical trap or other device in which the selected low-velocity atoms are to be used. Permanent rare-earth magnets are placed around the tube in a yoke of high-magnetic-permeability material to establish a quadrupole or octupole magnetic field leading from the source to the trap. The atoms are attracted to the locus of minimum magnetic-field intensity in the middle of the tube, and the gradient of the magnetic field provides centripetal force that guides the atoms around the curve along the axis of the tube. The threshold velocity for guiding is dictated by the gradient of the magnetic field and the radius of curvature of the tube. Atoms moving at lesser velocities are successfully guided; faster atoms strike the tube wall and are lost from the beam.

  8. Analytical formulae for total cross sections for electron scattering by atoms (N, O, F, Ne, P, S, Cl, Ar, As, Se, Br, Kr) between 0.5-10 keV

    Energy Technology Data Exchange (ETDEWEB)

    Williart, A. [Univ. Nacional de Educacion a Distancia, Madrid (Spain). Dept. de Fisica de los Materiales; Garcia, G. [Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas, Madrid (Spain)

    2001-10-01

    Analytical formulae for total cross sections for electron scattering by atoms which are close to the noble gases (Ne, Ar and Kr), for electron energies ranging from 0.5 to 10 keV, have been obtained in this study. We have shown, previously, that molecular total cross sections, at these energies, depend on target polarizability and the number of target electrons. A similar behaviour has been supposed for total cross sections of some atoms (N, O, F, P, S, Cl, As, Se and Br). The obtained expression depends on atomic parameters and it is based in some correlation derived from noble gases. The applicability of the formula has been checked by comparison with available data for atomic oxygen. (orig.)

  9. Au@MoS2 Core-Shell Heterostructures with Strong Light-Matter Interactions.

    Science.gov (United States)

    Li, Yuan; Cain, Jeffrey D; Hanson, Eve D; Murthy, Akshay A; Hao, Shiqiang; Shi, Fengyuan; Li, Qianqian; Wolverton, Chris; Chen, Xinqi; Dravid, Vinayak P

    2016-12-14

    There are emerging opportunities to harness diverse and complex geometric architectures based on nominal two-dimensional atomically layered structures. Herein we report synthesis and properties of a new core-shell heterostructure, termed Au@MoS2, where the Au nanoparticle is snugly and contiguously encapsulated by few shells of MoS2 atomic layers. The heterostructures were synthesized by direct growth of multilayer fullerene-like MoS2 shell on Au nanoparticle cores. The Au@MoS2 heterostructures exhibit interesting light-matter interactions due to the structural curvature of MoS2 shell and the plasmonic effect from the underlying Au nanoparticle core. We observed significantly enhanced Raman scattering and photoluminescence emission on these heterostructures. We attribute these enhancements to the surface plasmon-induced electric field, which simulations show to mainly localize within the MoS2 shell. We also found potential evidence for the charge transfer-induced doping effect on the MoS2 shell. The DFT calculations further reveal that the structural curvature of MoS2 shell results in a modification of its electronic structure, which may facilitate the charge transfer from MoS2 to Au. Such Au@MoS2 core-shell heterostructures have the potential for future optoelectronic devices, optical imaging, and other energy-environmental applications.

  10. An extension of the Eisberg-Resnick treatment for electron energies in many-electron atoms

    Science.gov (United States)

    Whitaker, M. A. B.; Bennett, I.

    1989-03-01

    Eisberg and Resnick present a simple argument for the energy of an electron in a multielectron atom using the concept of shielding from electrons in inner shells. The results of such a treatment are unfortunately confined so as to be out of range of experimental values. Here, the effect of electrons in outer shells is included, and, in the nonrelativistic region, energies are obtained for electrons in the first and second shells in reasonable agreement with experiment.

  11. Superluminal propagation in a poly-chromatically driven gain assisted four-level N-type atomic system

    Science.gov (United States)

    Amin Bacha, Bakht; Ahmad, Iftikhar; Ullah, Arif; Ali, Hazrat

    2013-10-01

    We investigate the behavior of light propagation in an N-type four-level gain assisted model (Agarwal and Dasgupta 2004 Phys. Rev. A 70 023802) under poly-chromatic pump fields. The system exhibits interesting results of multiple controllable pairs of the gain doublet profile with changes in the intensity of the control field. We observe multiple anomalous dispersive regions for superluminal propagation in the medium. A negative group velocity of -37.50 m s-1 with a negative time delay of -8 ms is observed between each gain doublet in anomalous dispersive regions. This generalized model and its predictions can be tested with existing experimental setups.

  12. Sharing competences in strategic alliances: a case study of the Cosan and Shell biofuel venture Competencias compartidas en alianzas estratégicas: un estudio de la asociación entre Cosan y Shell en el mercado de biocombustibles Competências compartilhadas em alianças estratégicas: um estudo da aliança Cosan e Shell no mercado de biocombustíveis

    Directory of Open Access Journals (Sweden)

    Luciana Florêncio de Almeida

    2013-06-01

    focal point is knowledge "appropriability" and the specific assets originated by the joint venture. Once the alliance is formed, it is expected that competences will be shared and new capabilities will expand the limits of the firm. In the case studied, Cosan and Shell shared a number of strategic assets related to their competences. Raízen was formed with economizing incentives, as well to continue marshalling internal resources to enhance the company's presence in the world energy sector. Therefore, some challenges might be related to the control and monitoring agents' behavior, considering the two-part organism formed by distinctive organizational culture, tacit knowledge, and long-term incentives. The case study analyzed illustrates the hybrid arrangement as a middle form for organizing the transaction: neither in the market nor in the hierarchy mode, but rather a more flexible commitment agreement with a strategic central authority. The corporate governance devices are also a challenge, since the alignment between the parent companies in the joint ventures is far more complex. These characteristics have led to an organism with bilateral dependence, offering favorable conditions for developing dynamic capabilities. However, these conditions might rely on the partners' long-term interest in the joint venture.En un mundo competitivo, la manera como una empresa establece sus disposiciones organizacionales puede determinar la mejora de sus competencias esenciales y la posibilidad de alcanzar nuevos mercados. Empresas que actúan en un solo tipo de mercado encuentran restricciones para expandirse, no obstante, pueden encontrar una forma competitiva de crear valor por medio de alianzas estratégicas. Las formas híbridas de organización aparecen principalmente como una alternativa a la hora de capturar valor y administrar activos, cuando el mercado y la jerarquía organizacional no presentan rendimientos para la competitividad de la empresa. Como resultado, esta forma

  13. Microesferas poliméricas magnéticas à base de estireno e divinilbenzeno com morfologia casca e núcleo Magnetic polymeric microspheres based on styrene and divinylbenzene with core-shell morphology

    Directory of Open Access Journals (Sweden)

    Washington J. F. Formiga

    2013-01-01

    Full Text Available Microesferas poliméricas com propriedades magnéticas à base de estireno (STY e divinilbenzeno (DVB foram sintetizadas usando a técnica de polimerização em suspensão em duas etapas. Na primeira, foram preparados os núcleos poliméricos à base de STY e DVB e magnetita. Na segunda, os núcleos foram previamente inchados em uma emulsão de STY e DVB e novamente polimerizados para a formação da casca. Foram variados o método de adição da emulsão e o tempo de inchamento. Os materiais obtidos foram caracterizados quanto ao tamanho de partícula por peneiramento, análise termogravimétrica (TGA, microscopia eletrônica de varredura (SEM e magnetometria de amostra vibrante (VSM. Os métodos avaliados na formação da casca de poli(estireno-co-divinilbenzeno produziram partículas com diâmetro médio maior do que o núcleo. Este resultado indica a formação de morfologia casca e núcleo. O controle morfológico só foi obtido com as resinas RR48/1 e RR48/3. O método onde a emulsão de estireno e divinilbenzeno foi adicionada em etapa única, seguida de 48 horas de inchamento do núcleo a 10 °C (RR48/1, forneceu o maior rendimento (64%. Além disso, todas as resinas casca-núcleo foram sensíveis ao estímulo magnético realizado por um ímã, atestando assim que foram produzidas resinas com propriedades magnéticas.Magnetic polymeric microspheres based on styrene (STY and divinylbenzene (DVB were synthesized in two steps. Firstly, the polymeric core, constituted by STY, DVB and magnetite, was prepared by suspension polymerization. Then, the core was swollen in a STY and DVB emulsion. Subsequently, a second suspension polymerization was carried out in order to form a shell. The emulsion addition method and the swelling time were varied. The particle size, morphology, thermal stability and magnetic properties of the microspheres were studied by sieving, thermogravimetric analysis (TGA, scanning electron microscopy (SEM and vibrating

  14. Double-shell target fabrication workshop-2016 report

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Y. Morris [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Oertel, John [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Farrell, Michael [General Atomics, San Diego, CA (United States); Baumann, Ted [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Huang, Haibo [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Nikroo, Abbas [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-01-10

    On June 30, 2016, over 40 representatives from Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory (LANL), General Atomics (GA), Laboratory for Laser Energetics (LLE), Schafer Corporation, and NNSA headquarter attended a double-shell (DS) target fabrication workshop at Livermore, California. Pushered-single-shell (PSS) and DS metalgas platforms potentially have a large impact on programmatic applications. The goal of this focused workshop is to bring together target fabrication scientists, physicists, and designers to brainstorm future PSS and DS target fabrication needs and strategies. This one-day workshop intends to give an overall view of historical information, recent approaches, and future research activities at each participating organization. Five topical areas have been discussed that are vital to the success of future DS target fabrications, including inner metal shells, foam spheres, outer ablators, fill tube assembly, and metrology.

  15. Multi-Shell Shell Model for Heavy Nuclei

    OpenAIRE

    Sun, Yang; Wu, Cheng-Li

    2003-01-01

    Performing a shell model calculation for heavy nuclei has been a long-standing problem in nuclear physics. Here we propose one possible solution. The central idea of this proposal is to take the advantages of two existing models, the Projected Shell Model (PSM) and the Fermion Dynamical Symmetry Model (FDSM), to construct a multi-shell shell model. The PSM is an efficient method of coupling quasi-particle excitations to the high-spin rotational motion, whereas the FDSM contains a successful t...

  16. 35,37,39S isotopes in sd-pf space: Shell-model interpretation

    Science.gov (United States)

    Saxena, A.; Srivastava, P. C.; Hirsch, J. G.; Kota, V. K. B.; Ermamatov, M. J.

    2017-05-01

    The structure of 35,37,39S isotopes is described by performing comprehensive shell model calculations with SDPF-U and SDPFMW interactions. Protons and neutrons are restricted to the sd-shell for N 20. Natural parity states are described by only in-shell mixing, unnatural parity states with 1p-1h inter-shell neutron excitations. With SDPF-U interaction, reported are the results for natural parity states only because this interaction is not suitable for cross shell excitations. Calculated energy levels, electromagnetic properties and spectroscopic factors are in good agreement with the recently available experimental data.

  17. Structural synergy in a core-shell spin crossover nanoparticle investigated by an electroelastic model

    Science.gov (United States)

    Slimani, Ahmed; Khemakhem, Hamadi; Boukheddaden, Kamel

    2017-05-01

    Understanding how surrounding environments act on the functional properties of switchable nano-objects across extended and multiple length scales is of growing interest in many areas of material science. Here, we examine in details, using a microscopic model, the interplay between the structural properties of an inert shell and a spin-active spin-crossover (SCO) core, composed of atoms which can switch thermally between the low-spin (LS) and high-spin (HS) states, a transition which is accompanied with a volume expansion. To come closer to realistic experimental data, we considered a shell having the lattice parameter of the HS state. Intensive Monte Carlo simulations, running on the spin states and atomic positions, are performed on the core-shell spin-crossover nanoparticle using an electroelastic model based on a compressible 2D lattice. A detailed analysis of the effect of the shell's size and rigidity on the magnetostructural properties of the core allows us to address the following issues: (i) the heteroelastic properties of the lattice induce a spatially inhomogeneous pressure (negative in the shell and positive in the core) which strongly distorts the lattice when the core is in the LS state, creating a visible spatial deflection of the shell/core interface; (ii) the thermally-induced first-order SCO transition of the core is significantly affected by the increase of the shell size, which lowers the transition temperature and reduces the thermal hysteresis width; (iii) the shell's rigidity dependence of the thermal hysteresis of the nanoparticle exhibited a resonance behavior when the shell's rigidity equals that of the core, a feature that is analyzed on the basis of acoustic impedance mismatch between the core and the shell. All these outcomes reflect the crucial influence of the surrounding environment on the structural properties of the nanoparticle and provide potentialities in the control of the bistability and cooperativity of the SCO nanoparticles

  18. Processing of n+/p-/p+ strip detectors with atomic layer deposition (ALD) grown Al2O3 field insulator on magnetic Czochralski silicon (MCz-si) substrates

    Science.gov (United States)

    Härkönen, J.; Tuovinen, E.; Luukka, P.; Gädda, A.; Mäenpää, T.; Tuominen, E.; Arsenovich, T.; Junkes, A.; Wu, X.; Li, Z.

    2016-08-01

    Detectors manufactured on p-type silicon material are known to have significant advantages in very harsh radiation environment over n-type detectors, traditionally used in High Energy Physics experiments for particle tracking. In p-type (n+ segmentation on p substrate) position-sensitive strip detectors, however, the fixed oxide charge in the silicon dioxide is positive and, thus, causes electron accumulation at the Si/SiO2 interface. As a result, unless appropriate interstrip isolation is applied, the n-type strips are short-circuited. Widely adopted methods to terminate surface electron accumulation are segmented p-stop or p-spray field implantations. A different approach to overcome the near-surface electron accumulation at the interface of silicon dioxide and p-type silicon is to deposit a thin film field insulator with negative oxide charge. We have processed silicon strip detectors on p-type Magnetic Czochralski silicon (MCz-Si) substrates with aluminum oxide (Al2O3) thin film insulator, grown with Atomic Layer Deposition (ALD) method. The electrical characterization by current-voltage and capacitance-voltage measurement shows reliable performance of the aluminum oxide. The final proof of concept was obtained at the test beam with 200 GeV/c muons. For the non-irradiated detector the charge collection efficiency (CCE) was nearly 100% with a signal-to-noise ratio (S/N) of about 40, whereas for the 2×1015 neq/cm2 proton irradiated detector the CCE was 35%, when the sensor was biased at 500 V. These results are comparable with the results from p-type detectors with the p-spray and p-stop interstrip isolation techniques. In addition, interestingly, when the aluminum oxide was irradiated with Co-60 gamma-rays, an accumulation of negative fixed oxide charge in the oxide was observed.

  19. Charge fraction of 6.0 MeV/n heavy ions with a carbon foil: Dependence on the foil thickness and projectile atomic number

    CERN Document Server

    Sato, Y; Muramatsu, M; Murakami, T; Yamada, S; Kobayashi, C; Kageyama, Y; Miyoshi, T; Ogawa, H; Nakabushi, H; Fujimoto, T; Miyata, T; Sano, Y

    2003-01-01

    We measured the charge fraction of 6.0 MeV/n heavy ions (C, Ne, Si, Ar, Fe and Cu) with a carbon foil at the NIRS-HIMAC injector. At this energy they are stripped with a carbon foil before being injected into two synchrotron rings with a maximum energy of 800 MeV/n. In order to find the foil thickness (D sub E) at which an equilibrium charge state distribution occurs, and to study the dependence of the D sub E -values on the projectile atomic number, we measured the exit charge fractions for foil thicknesses of between 10 and 350 mu g/cm sup 2. The results showed that the D sub E -values are 21.5, 62.0, 162, 346, 121, 143 mu g/cm sup 2 for C, Ne, Si, Ar, Fe, Cu, respectively. The fraction of Ar sup 1 sup 8 sup + ions was actually improved to 33% at 320 mu g/cm sup 2 from approx 15% at 100 mu g/cm sup 2. For Fe and Cu ions, the D sub E -values were found to be only 121 and 143 mu g/cm sup 2; there is a large gap between Ar and Fe, which is related to the differences in the ratio of the binding energy of the K-...

  20. Wrinkling of Pressurized Elastic Shells

    Science.gov (United States)

    Vella, Dominic; Ajdari, Amin; Vaziri, Ashkan; Boudaoud, Arezki

    2011-10-01

    We study the formation of localized structures formed by the point loading of an internally pressurized elastic shell. While unpressurized shells (such as a ping-pong ball) buckle into polygonal structures, we show that pressurized shells are subject to a wrinkling instability. We study wrinkling in depth, presenting scaling laws for the critical indentation at which wrinkling occurs and the number of wrinkles formed in terms of the internal pressurization and material properties of the shell. These results are validated by numerical simulations. We show that the evolution of the wrinkle length with increasing indentation can be understood for highly pressurized shells from membrane theory. These results suggest that the position and number of wrinkles may be used in combination to give simple methods for the estimation of the mechanical properties of highly pressurized shells.

  1. Wrinkling of Pressurized Elastic Shells

    KAUST Repository

    Vella, Dominic

    2011-10-01

    We study the formation of localized structures formed by the point loading of an internally pressurized elastic shell. While unpressurized shells (such as a ping-pong ball) buckle into polygonal structures, we show that pressurized shells are subject to a wrinkling instability. We study wrinkling in depth, presenting scaling laws for the critical indentation at which wrinkling occurs and the number of wrinkles formed in terms of the internal pressurization and material properties of the shell. These results are validated by numerical simulations. We show that the evolution of the wrinkle length with increasing indentation can be understood for highly pressurized shells from membrane theory. These results suggest that the position and number of wrinkles may be used in combination to give simple methods for the estimation of the mechanical properties of highly pressurized shells. © 2011 American Physical Society.

  2. {beta}-decay studies at the N=28 shell closure: indications for a weakening of the spin-orbit force far from stability?

    Energy Technology Data Exchange (ETDEWEB)

    Grevy, S. [Laboratoire de Physique Corpusculaire de Caen, IN2P3-CNRS, ENSICAEN et Universite de Caen, F-14050 Caen Cedex (France)]. E-mail: grevy@in2p3.fr; Angelique, J.C.; Baumann, P.; Borcea, C.; Buta, A.; Canchel, G.; Catford, W.N.; Courtin, S.; Daugas, J.M.; Oliveira, F. de; Dessagne, P.; Dlouhy, Z.; Knipper, A.; Kratz, K.L.; Lecolley, F.R.; Lecouey, J.L.; Lehrsenneau, G.; Lewitowicz, M.; Lienard, E.; Lukyanov, S.; Marechal, F.; Miehe, C.; Mrazek, J.; Negoita, F.; Orr, N.A.; Pantelica, D.; Penionzhkevich, Y.; Peter, J.; Pfeiffer, B.; Pietri, S.; Poirier, E.; Sorlin, O.; Stanoiu, M.; Stefan, I.; Stodel, C.; Timis, C

    2004-12-27

    A {beta}-decay experiment on nuclei in the region of N=28 has been performed at the GANIL facility. New measured half-lives for the Si isotopes from N=25 to N=28 are reported and discussed in the light of the deformation occurring in this region. Comparison with QRPA calculations suggests that a weakening of the spin-orbit force occurs for the very neutron-rich Si isotopes.

  3. Identificación experimental de estados de resonancia en la estructura portante de un atomizador. // Experimental identification of resonance states in portable structure of an atomizer.

    Directory of Open Access Journals (Sweden)

    J. Cabrera Gómez

    2001-04-01

    Full Text Available Los atomizadores fabricados por una empresa productora de maquinaria agrícola generan durante su funcionamientoniveles de ruido que resultan molestos tanto para el operario como para el resto de los habitantes de las zonas donde seemplean estos equipos, fundamentalmente en tareas vinculadas a la protección de árboles frutales. Para evaluar la situación,se procedió a realizar mediciones de vibraciones y ruido, las que permitieron cuantificar los niveles de estos parámetros, asícomo identificar las principales fuentes que los generan. También se detectó un posible problema de resonancia estructuralque amplifica considerablemente la vibración producida por el giro del ventilador. Con la finalidad de precisar lascaracterísticas de tal resonancia, se efectuaron nuevas series de mediciones centrando la atención básicamente en el estudiodel comportamiento modal del chasis. El análisis modal experimental realizado sobre la estructura objeto de estudiopermitió comprobar la evidente presencia de estados resonantes. Una vez identificada la causa del problema, se procedió asimular modificaciones de parámetros físicos sobre el modelo modal obtenido, proponiéndose la variante más apropiadapara su solución.Palabras claves: Resonancia mecánica, análisis modal, comportamiento dinámico, medición de vibraciones,frecuencias propias.___________________________________________________________________SummaryThe atomizers manufactured by an agricultural machinery company generate during their operation levels of noise that areannoying as much for the operative as for the rest of the inhabitants of the areas where these equipments are used,fundamentally in tasks linked to the protection of fruit-bearing trees. To evaluate the situation, mensurations of vibrationsand noise were to carried out, wich allowed to quantify the levels of these parameters, as well as to identify the mainsources that generate them. A possible problem of structural

  4. Capsid expansion mechanism of bacteriophage T7 revealed by multistate atomic models derived from cryo-EM reconstructions.

    Science.gov (United States)

    Guo, Fei; Liu, Zheng; Fang, Ping-An; Zhang, Qinfen; Wright, Elena T; Wu, Weimin; Zhang, Ci; Vago, Frank; Ren, Yue; Jakana, Joanita; Chiu, Wah; Serwer, Philip; Jiang, Wen

    2014-10-28

    Many dsDNA viruses first assemble a DNA-free procapsid, using a scaffolding protein-dependent process. The procapsid, then, undergoes dramatic conformational maturation while packaging DNA. For bacteriophage T7 we report the following four single-particle cryo-EM 3D reconstructions and the derived atomic models: procapsid (4.6-Å resolution), an early-stage DNA packaging intermediate (3.5 Å), a later-stage packaging intermediate (6.6 Å), and the final infectious phage (3.6 Å). In the procapsid, the N terminus of the major capsid protein, gp10, has a six-turn helix at the inner surface of the shell, where each skewed hexamer of gp10 interacts with two scaffolding proteins. With the exit of scaffolding proteins during maturation the gp10 N-terminal helix unfolds and swings through the capsid shell to the outer surface. The refolded N-terminal region has a hairpin that forms a novel noncovalent, joint-like, intercapsomeric interaction with a pocket formed during shell expansion. These large conformational changes also result in a new noncovalent, intracapsomeric topological linking. Both interactions further stabilize the capsids by interlocking all pentameric and hexameric capsomeres in both DNA packaging intermediate and phage. Although the final phage shell has nearly identical structure to the shell of the DNA-free intermediate, surprisingly we found that the icosahedral faces of the phage are slightly (∼4 Å) contracted relative to the faces of the intermediate, despite the internal pressure from the densely packaged DNA genome. These structures provide a basis for understanding the capsid maturation process during DNA packaging that is essential for large numbers of dsDNA viruses.

  5. Catalyst-free fabrication of novel ZnO/CuO core-Shell nanowires heterojunction: Controlled growth, structural and optoelectronic properties

    Science.gov (United States)

    Khan, Muhammad Arif; Wahab, Yussof; Muhammad, Rosnita; Tahir, Muhammad; Sakrani, Samsudi

    2018-03-01

    Development of controlled growth and vertically aligned ZnO/CuO core-shell heterojunction nanowires (NWs) with large area by a catalyst free vapor deposition and oxidation approach has been investigated. Structural characterization reveals successful fabrication of a core ZnO nanowire having single crystalline hexagonal wurtzite structure along [002] direction and CuO nanostructure shell with thickness (8-10 nm) having polycrystalline monoclinic structure. The optical property analysis suggests that the reflectance spectrum of ZnO/CuO heterostructure nanowires is decreased by 18% in the visible range, which correspondingly shows high absorption in this region as compared to pristine ZnO nanowires. The current-voltage (I-V) characteristics of core-shell heterojunction nanowires measured by conductive atomic force microscopy (C-AFM) shows excellent rectifying behavior, which indicates the characteristics of a good p-n junction. The high-resolution transmission electron microscopy (HRTEM) has confirmed the sharp junction interface between the core-shell heterojunction nanowire arrays. The valence band offset and conduction band offset at ZnO/CuO heterointerfaces are measured to be 2.4 ± 0.05 and 0.23 ± 0.005 eV respectively, using X-ray photoelectron spectroscopy (XPS) and a type-II band alignment structure is found. The results of this study contribute to the development of new advanced device heterostructures for solar energy conversion and optoelectronics applications.

  6. Plate shell structures of glass

    DEFF Research Database (Denmark)

    Bagger, Anne

    to their curved shape. A plate shell structure maintains a high stiffness-to-weight ratio, while facilitating the use of plane structural elements. The study focuses on using laminated glass panes for the load bearing facets. Various methods of generating a plate shell geometry are suggested. Together with Ghent......, such as facet size, imperfections, and connection characteristics. The critical load is compared to that of a similar, but smoothly curved, shell structure. Based on the investigations throughout the study, a set of guidelines for the structural design of plate shells of glass is proposed....

  7. Stability Landscape of Shell Buckling

    Science.gov (United States)

    Virot, Emmanuel; Kreilos, Tobias; Schneider, Tobias M.; Rubinstein, Shmuel M.

    2017-12-01

    We measure the response of cylindrical shells to poking and identify a stability landscape, which fully characterizes the stability of perfect shells and imperfect ones in the case where a single defect dominates. We show that the landscape of stability is independent of the loading protocol and the poker geometry. Our results suggest that the complex stability of shells reduces to a low dimensional description. Tracking ridges and valleys of this landscape defines a natural phase-space coordinates for describing the stability of shells.

  8. Nonlinear Geometric and Material Behavior of Composite Shells with Large Strains

    Science.gov (United States)

    1995-08-01

    B.S., M.S. Captain, USAF Approved: /A4. N. P la tto, Ch r n 7 Profesor , Depart en of Aeronautics & Astronautics P J. Torvik DATE Professor...complexities. For composite shells, some studies use a first-order transverse shear theory with bi-linear elas- tic -plastic material behavior [6, 10, 13, 16...the classical thin shell. Investigations of the limitations of elastic-plas- tic cubic-nonlinear HTSD theory were based on the shallow isotropic shell

  9. Automated shell theory for rotating structures (ASTROS)

    Science.gov (United States)

    Foster, B. J.; Thomas, J. M.

    1971-01-01

    A computer program for analyzing axisymmetric shells with inertial forces caused by rotation about the shell axis is developed by revising the STARS II shell program. The basic capabilities of the STARS II shell program, such as the treatment of the branched shells, stiffened wall construction, and thermal gradients, are retained.

  10. Organic Stable Isotopes in Ancient Oyster Shell Trace Pre-colonial Nitrogen Sources

    Science.gov (United States)

    Darrow, E. S.; Carmichael, R. H.; Andrus, C. F. T.; Jackson, H. E.

    2016-02-01

    Oysters (Crassostrea virginica) were an important food resource for native peoples of the northern Gulf of Mexico, who harvested oysters and deposited waste shell and other artifacts in middens. Shell δ15N is a proxy for oyster tissue δ15N that reflects nitrogen (N) in food sources of bivalves. We tested the use of shell δ15N as a paleo proxy of ancient N sources, which to our knowledge has not been previously done for archeological bivalve specimens. To determine δ15N of the very low-N and high-carbonate ancient specimens, we tested established and modified acidification techniques developed for modern clams and oysters to decalcify organic shell matrix and extract sufficient N for analyses. Centrifugation following acidification better concentrated N from ancient shells for stable isotope analysis. Careful screening was required to detect effects of diagenesis, incomplete acidification, and sample contamination. Modern oyster shells did not require acidification and bulk shell material was directly analyzed for δ15N using an EA-IRMS coupled to a CO2 trap. δ15N values in ancient oyster shells did not differ from modern oyster shells from the same sites, but %N and % organic carbon (C) were lower in ancient than in modern shells. Organic δ13C in ancient shells had a significant negative relationship with shell age, possibly due to an effect of sea level rise increasing marine suspended particulate matter (SPM) sources to oysters. In modern oysters, δ15N had a significant relationship with soft tissue δ15N, and predicted by SPM δ15N, water column nitrate, and water column dissolved organic nitrogen (DON) concentrations, demonstrating the effectiveness of oyster shell δ15N to identify N sources to bivalves such as oysters. Our study has demonstrated the usefulness of δ15N from midden oyster shells as a proxy for N sources in an estuary that has undergone relatively light impacts from human land-use change through the past 2000 years.

  11. MÉTODOS DE PROSPECCIÓN GEOFÍSICA EN ARQUEOLOGÍA. EXPERIMENTACIÓN CON RADAR DE PENETRACIÓN TERRESTRE (GPR EN CONCHEROS ARTIFICIALES (Geophysical methods in archaeology. Experimentation with ground penetrating radar (GPR in artificial shell mounds

    Directory of Open Access Journals (Sweden)

    Fernando Santiago

    2011-12-01

    Full Text Available La prospección con georadar en sitios arqueológicos de la costa atlántica de Tierra del Fuego presenta dificultades, en cuanto a la calidad de los registros y su funcionalidad en relación a la detección de objetos arqueológicos presentes en el subsuelo. Para dilucidar las causas, se diseñó un experimento en laboratorio reproduciendo el entorno natural y cultural. Se replicó un conchero en una caja de frente transparente, incorporando materiales óseos y líticos y usando sedimento estéril del sitio La Arcillosa 2. Se efectuó un análisis granulométrico y separación magnética del sedimento estéril, y se sondeó con una antena de 1,5 GHz. El conchero, incluido en un depósito de arena con contenido de humedad entre 2,1 y 4,5%, fue visible en los registros. Los restos óseos generaron anomalías nítidas, debido al contraste de sus propiedades dieléctricas con las arenas portadoras. Con humedad mayor a 8,5% o con cobertura de suelos y gramíneas, los registros resultaron difusos. Los minerales paramagnéticos, ferromagnéticos (24,5% y altamente magnéticos (3,6% del depósito provocaron atenuación de las ondas electromagnéticas. Los resultados de la aplicación de esta técnica para los concheros del norte de Tierra del Fuego, en relación al tiempo de trabajo en campo y en laboratorio, resultan pocos satisfactorios. ENGLISH: Archaeological sites on the northern Atlantic coast of Tierra del Fuego show a poor response to geophysical exploration, using ground penetrating radar. In order to elucidate its causes, a laboratory experiment was designed, creating the natural environmental conditions. Materials and sterile sediment from the site of La Arcillosa 2 (Chico River Basin, northeast of Tierra del Fuego were utilized to replicate an artificial shell midden in a transparent box. Particle size analysis and magnetic separation of the sterile soil were performed, and various surveys were conducted with a 1.5 GHz antenna. The shell

  12. Truly Nonionic Polymer Shells for the Encapsulation of Living Cells

    Science.gov (United States)

    2011-07-04

    microcapsules and ultrathin shells for cells.[41–48] The ability to tailor membrane permeability is of particular importance for encapsulation of living...considered to be promising for designing structures on biological systems.[58–60] In order to design individual cell-compatible synthetic shells, we...recently designed highly permeable, hydrogen- bonded LbL coatings utilizing tannic acid (TA), and poly(N- vinylpyrrolidone) (PVPON), which result in

  13. Spatially resolved Raman spectroscopy on indium-catalyzed core-shell germanium nanowires: size effects

    Energy Technology Data Exchange (ETDEWEB)

    Xiang, Y; Zardo, I; Garma, T; Heiss, M; Fontcuberta i Morral, A [Walter Schottky Institut, Physik Department, Technische Universitaet Muenchen, Am Coulombwall 3, D-85748 Garching (Germany); Cao, L Y; Brongersma, M L [Geballe Laboratory for Advanced Materials, 476 Lomita Mall, Stanford University, Stanford, CA 94305 (United States); Morante, J R; Arbiol, J [Departament d' Electronica, Universitat de Barcelona, 08028 Barcelona, CAT (Spain)

    2010-03-12

    The structure of indium-catalyzed germanium nanowires is investigated by atomic force microscopy, scanning confocal Raman spectroscopy and transmission electron microscopy. The nanowires are formed by a crystalline core and an amorphous shell. We find that the diameter of the crystalline core varies along the nanowire, down to few nanometers. Phonon confinement effects are observed in the regions where the crystalline region is the thinnest. The results are consistent with the thermally insulating behavior of the core-shell nanowires.

  14. 18N : a challenge to the shell model and a part of the flow path to r-process element production in Type II supernovae

    CERN Multimedia

    We propose a study of the spectroscopy of $^{18}$N using the (d,p) reaction at 5.5 Mev/A in inverse kinematics with the T-REX array and Miniball. The proton angular distributions measured using T-REX will allow us to deduce the orbitals and spectroscopic strengths associated with the bound and unbound excited states in $^{18}$N. The measurement of coincident gamma rays will assist in resolving and determining the precise excitation energies for bound states in $^{18}$N.

  15. Quasiclassical calculations of BBR-induced depopulation rates and effective lifetimes of Rydberg nS, nP and nD alkali-metal atoms with n < 80

    OpenAIRE

    Beterov, I. I.; Ryabtsev, I. I.; Tretyakov, D. B.; Entin, V. M.

    2008-01-01

    Rates of depopulation by blackbody radiation (BBR) and effective lifetimes of alkali-metal \\textit{nS}, \\textit{n}P and \\textit{nD} Rydberg states have been calculated in a wide range of principal quantum numbers $n \\le 80$ at the ambient temperatures of 77, 300 and 600 K. Quasiclassical formulas were used to calculate the radial matrix elements of the dipole transitions from Rydberg states. Good agreement of our numerical results with the available theoretical and experimental data has been ...

  16. Defects in liquid crystal nematic shells

    Science.gov (United States)

    Fernandez-Nieves, A.; Utada, A. S.; Vitelli, V.; Link, D. R.; Nelson, D. R.; Weitz, D. A.

    2006-03-01

    We generate water/liquid crystal (LC)/water double emulsions via recent micro-capillary fluidic devices [A. S. Utada, et.al. Science 308, 537 (2005)]. The resultant objects are stabilized against coalescence by using surfactants or adequate polymers; these also fix the boundary conditions for the director field n. We use 4-pentyl-4-cyanobiphenyl (5CB) and impose tangential boundary conditions at both water/LC interfaces by having polyvinyl alcohol (PVA) dispersed in the inner and outer water phases. We confirm recent predictions [D. R. Nelson, NanoLetters 2, 1125 (2002)] and find that four strength s=+1/2 defects are present; this is in contrast to the two s=+1 defect bipolar configuration observed for bulk spheres [A. Fernandez-Nieves, et.al. Phys. Rev. Lett. 92, 105503 (2004)]. However, these defects do not lie in the vertices of a tetrahedron but are pushed towards each other until certain equilibration distance is reached. In addition to the four defect shells, we observe shells with two s=+1 defects and even with three defects, a s=+1 and two s=+1/2. We argue these configurations arise from nematic bulk distortions that become important as the shell thickness increases. Finally, by adding a different surfactant, sodium dodecyl sulphate (SDS), to the outer phase, we can change the director boundary conditions at the outermost interface from parallel to homeotropic, to induce coalescing of the two pair of defects in the four defect shell configuration to yield two defect bipolar shells.

  17. β-Decay Half-Lives of 110 Neutron-Rich Nuclei across the N=82 Shell Gap: Implications for the Mechanism and Universality of the Astrophysical r Process.

    Science.gov (United States)

    Lorusso, G; Nishimura, S; Xu, Z Y; Jungclaus, A; Shimizu, Y; Simpson, G S; Söderström, P-A; Watanabe, H; Browne, F; Doornenbal, P; Gey, G; Jung, H S; Meyer, B; Sumikama, T; Taprogge, J; Vajta, Zs; Wu, J; Baba, H; Benzoni, G; Chae, K Y; Crespi, F C L; Fukuda, N; Gernhäuser, R; Inabe, N; Isobe, T; Kajino, T; Kameda, D; Kim, G D; Kim, Y-K; Kojouharov, I; Kondev, F G; Kubo, T; Kurz, N; Kwon, Y K; Lane, G J; Li, Z; Montaner-Pizá, A; Moschner, K; Naqvi, F; Niikura, M; Nishibata, H; Odahara, A; Orlandi, R; Patel, Z; Podolyák, Zs; Sakurai, H; Schaffner, H; Schury, P; Shibagaki, S; Steiger, K; Suzuki, H; Takeda, H; Wendt, A; Yagi, A; Yoshinaga, K

    2015-05-15

    The β-decay half-lives of 110 neutron-rich isotopes of the elements from _{37}Rb to _{50}Sn were measured at the Radioactive Isotope Beam Factory. The 40 new half-lives follow robust systematics and highlight the persistence of shell effects. The new data have direct implications for r-process calculations and reinforce the notion that the second (A≈130) and the rare-earth-element (A≈160) abundance peaks may result from the freeze-out of an (n,γ)⇄(γ,n) equilibrium. In such an equilibrium, the new half-lives are important factors determining the abundance of rare-earth elements, and allow for a more reliable discussion of the r process universality. It is anticipated that universality may not extend to the elements Sn, Sb, I, and Cs, making the detection of these elements in metal-poor stars of the utmost importance to determine the exact conditions of individual r-process events.

  18. Preparation and characterization of antibacterial Au/C core-shell composite

    Energy Technology Data Exchange (ETDEWEB)

    Gao Yanhong [Department of Chemistry and Institute of Nanochemistry, Jinan University, 601 Huangpudadaoxi Road, Guangzhou 510632, Guangdong (China); Centers for Disease Control and Prevention of Guangdong Province, Guangzhou 510300, Guangdong (China); Zhang Nianchun [Department of Chemistry and Institute of Nanochemistry, Jinan University, 601 Huangpudadaoxi Road, Guangzhou 510632, Guangdong (China); Zhong Yuwen [Centers for Disease Control and Prevention of Guangdong Province, Guangzhou 510300, Guangdong (China); Cai Huaihong [Department of Chemistry and Institute of Nanochemistry, Jinan University, 601 Huangpudadaoxi Road, Guangzhou 510632, Guangdong (China); Liu Yingliang, E-mail: tliuyl@jnu.edu.cn [Department of Chemistry and Institute of Nanochemistry, Jinan University, 601 Huangpudadaoxi Road, Guangzhou 510632, Guangdong (China)

    2010-09-01

    An environment-friendly oxidation-reduction method was used to prepare Au/C core-shell composite using carbon as core and gold as shell. The chemical structures and morphologies of Au/C core-shell composite and carbon sphere were characterized by X-ray diffraction, transmission electron microscope, energy dispersion X-ray spectrometry (EDS) and X-ray photoelectron spectroscopy (XPS). The antibacterial properties of the Au/C core-shell composite against Escherichia coli (E. coli), Staphylococcus aureus (S. aureus) and Candida albicans (C. albicans) were examined by the disk diffusion assay and minimal inhibition concentration (MIC) methods. In addition, antibacterial ability of Au/C core-shell composite was observed by atomic force microscope. Results demonstrated that gold homogeneously supported on the surface of carbon spheres without aggregation and showed efficient antibacterial abilities.

  19. Biomechanics of turtle shells: how whole shells fail in compression.

    Science.gov (United States)

    Magwene, Paul M; Socha, John J

    2013-02-01

    Turtle shells are a form of armor that provides varying degrees of protection against predation. Although this function of the shell as armor is widely appreciated, the mechanical limits of protection and the modes of failure when subjected to breaking stresses have not been well explored. We studied the mechanical properties of whole shells and of isolated bony tissues and sutures in four species of turtles (Trachemys scripta, Malaclemys terrapin, Chrysemys picta, and Terrapene carolina) using a combination of structural and mechanical tests. Structural properties were evaluated by subjecting whole shells to compressive and point loads in order to quantify maximum load, work to failure, and relative shell deformations. The mechanical properties of bone and sutures from the plastral region of the shell were evaluated using three-point bending experiments. Analysis of whole shell structural properties suggests that small shells undergo relatively greater deformations before failure than do large shells and similar amounts of energy are required to induce failure under both point and compressive loads. Location of failures occurred far more often at sulci than at sutures (representing the margins of the epidermal scutes and the underlying bones, respectively), suggesting that the small grooves in the bone created by the sulci introduce zones of weakness in the shell. Values for bending strength, ultimate bending strain, Young's modulus, and energy absorption, calculated from the three-point bending data, indicate that sutures are relatively weaker than the surrounding bone, but are able to absorb similar amounts of energy due to higher ultimate strain values. Copyright © 2012 Wiley Periodicals, Inc.

  20. Structural and Spectroscopic Characterization of PM 597 Dye-Silica Core-Shell Nanoparticles

    OpenAIRE

    Al-Biladi, Tahani R.; Al Dwayyan, A. S.; M. Naziruddin Khan; Saif M. H. Qaid; Khalid Al Zahrani

    2015-01-01

    Nanostructured fluorescent pyrromethene (PM) doped-silica core-shell particles were successfully prepared by Stöber process. The average size of the particles was in the range of 10–20 nm measured by TEM micrograph. The atomic structure and morphology of PM 597/SiO2 core/shell nanoparticles were studied by AFM and SEM, respectively. Absorption and emission spectra of the PM 597/SiO2 core/shell nanoparticles under the UV irradiation were studied and not significantly influenced at the position...