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Sample records for charge transfer collisions

  1. Ion momentum and energy transfer rates for charge exchange collisions

    NASA Technical Reports Server (NTRS)

    Horwitz, J.; Banks, P. M.

    1973-01-01

    The rates of momentum and energy transfer have been obtained for charge exchange collisions between ion and neutral gases having arbitrary Maxwellian temperatures and bulk transport velocities. The results are directly applicable to the F-region of the ionosphere where 0+ - 0 charge is the dominant mechanism affecting ion momentum and energy transfer.

  2. Transfer ionization in collisions with a fast highly charged ion.

    PubMed

    Voitkiv, A B

    2013-07-26

    Transfer ionization in fast collisions between a bare ion and an atom, in which one of the atomic electrons is captured by the ion whereas another one is emitted, crucially depends on dynamic electron-electron correlations. We show that in collisions with a highly charged ion a strong field of the ion has a very profound effect on the correlated channels of transfer ionization. In particular, this field weakens (strongly suppresses) electron emission into the direction opposite (perpendicular) to the motion of the ion. Instead, electron emission is redirected into those parts of the momentum space which are very weakly populated in fast collisions with low charged ions. PMID:23931364

  3. Charge transfer during individual collisions in ice growing by riming

    NASA Technical Reports Server (NTRS)

    Avila, Eldo E.; Caranti, Giorgio M.

    1991-01-01

    The charging of a target by riming in the wind was studied in the temperature range of (-10, -18 C). For each temperature, charge transfers of both signs are observed and, according to the environmental conditions, one of them prevails. The charge is more positive as the liquid water concentration is increased at any particular temperature. It is found that even at the low impact velocities used (5 m/s) there is abundant evidence of fragmentation following the collision.

  4. Charge transfer in energetic Li^2+ - H collisions

    NASA Astrophysics Data System (ADS)

    Mancev, I.

    2008-07-01

    The total cross sections for charge transfer in Li^2+ - H collisions have been calculated, using the four-body first Born approximation with correct boundary conditions (CB1-4B) and four-body continuum distorted wave method (CDW-4B) in the energy range 10 - 5000 keV/amu. Present results call for additional experimental data at higher impact energies than presently available.

  5. Charge Transfer in C6+ Collisions with H and He

    NASA Astrophysics Data System (ADS)

    Lee, T. G.; Pindzola, M. S.

    2015-05-01

    Charge transfer cross sections are calculated for C6+ + H and C6+ + He collisions using a time-dependent close-coupling method in Cartesian coordinates. Capture cross sections into the 1 s , 2 l(l = 0 - 1) , 3 l(l = 0 - 2) , and 4 l(l = 0 - 3) subshells of C5+ are found for projectile energies ranging from 5.0 keV/amu to 15.0 keV/amu. Comparisons are made with previous calculations and recent experiments. The atomic collision data will be used to better understand the interaction of solar wind ions with interplanetary atoms. Work supported in part by grants from NSF, NASA, and DOE.

  6. Charge transfer in proton-hydrogen collisions under Debye plasma

    SciTech Connect

    Bhattacharya, Arka; Kamali, M. Z. M.; Ghoshal, Arijit; Ratnavelu, K.

    2015-02-15

    The effect of plasma environment on the 1s → nlm charge transfer, for arbitrary n, l, and m, in proton-hydrogen collisions has been investigated within the framework of a distorted wave approximation. The effect of external plasma has been incorporated using Debye screening model of the interacting charge particles. Making use of a simple variationally determined hydrogenic wave function, it has been possible to obtain the scattering amplitude in closed form. A detailed study has been made to investigate the effect of external plasma environment on the differential and total cross sections for electron capture into different angular momentum states for the incident energy in the range of 20–1000 keV. For the unscreened case, our results are in close agreement with some of the most accurate results available in the literature.

  7. Charge transfer in proton-hydrogen collisions under Debye plasma

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Arka; Kamali, M. Z. M.; Ghoshal, Arijit; Ratnavelu, K.

    2015-02-01

    The effect of plasma environment on the 1s → nlm charge transfer, for arbitrary n, l, and m, in proton-hydrogen collisions has been investigated within the framework of a distorted wave approximation. The effect of external plasma has been incorporated using Debye screening model of the interacting charge particles. Making use of a simple variationally determined hydrogenic wave function, it has been possible to obtain the scattering amplitude in closed form. A detailed study has been made to investigate the effect of external plasma environment on the differential and total cross sections for electron capture into different angular momentum states for the incident energy in the range of 20-1000 keV. For the unscreened case, our results are in close agreement with some of the most accurate results available in the literature.

  8. Charge transfer reactions in multiply charged ion-atom collisions. [in interstellar clouds

    NASA Technical Reports Server (NTRS)

    Steigman, G.

    1975-01-01

    Charge-transfer reactions in collisions between highly charged ions and neutral atoms of hydrogen and/or helium may be rapid at thermal energies. If these reactions are rapid, they will suppress highly charged ions in H I regions and guarantee that the observed absorption features from such ions cannot originate in the interstellar gas. A discussion of such charge-transfer reactions is presented and compared with the available experimental data. The possible implications of these reactions for observations of the interstellar medium, H II regions, and planetary nebulae are outlined.

  9. Modeling Charge Transfer in Fullerene Collisions via Real-Time Electron Dynamics.

    PubMed

    Jakowski, Jacek; Irle, Stephan; Sumpter, Bobby G; Morokuma, Keiji

    2012-06-01

    An approach for performing real-time dynamics of electron transfer in a prototype redox reaction that occurs in reactive collisions between neutral and ionic fullerenes is discussed. The quantum dynamical simulations show that the electron transfer occurs within 60 fs directly preceding the collision of the fullerenes, followed by structural changes and relaxation of electron charge. The consequences of real-time electron dynamics are fully elucidated for the far from equilibrium processes of collisions between neutral and multiply charged fullerenes. PMID:26285634

  10. Charge transfer in collisions of C{sup 2+} carbon ions with CO and OH targets

    SciTech Connect

    Bene, E.; Martinez, P.; Halsaz, G. J.; Vibok, A.; Bacchus-Montabonel, M. C.

    2009-07-15

    The charge transfer in collisions of C{sup 2+} ions with the CO molecule and the OH radical has been studied theoretically by means of ab initio quantum chemistry molecular methods followed by a semiclassical dynamical treatment in the keV collision energy range. The comparison of the cross sections calculated for these two collision systems exhibits interesting features with regard to the anisotropy of these processes and the influence of the vibration of the molecular target.

  11. Charge Transfer Process During Collision of Riming Graupel Pellet with Small Ice Crystals within a Thundercloud

    NASA Technical Reports Server (NTRS)

    Datta, Saswati; De, Utpal K.; Goswami, K.; Jones, Linwood

    1999-01-01

    A charge transfer process during the collision of a riming graupel pellet and an ice-crystal at low temperature is proposed. During riming, the surface structure of graupel deviates from perfect crystalline structure. A concept of quasi-solid layer (QSL) formation on the surface is introduced. This QSL contains defects formed during riming. In absence of impurities, positively charged X-defect abundance is considered in the outer layer. These defects are assumed to be the charge carriers during the charge transfer process. Some part of the QSL is stripped off by the colliding ice crystals, which thereby gain some positive charge, leaving the graupel pellet negatively charged. With the proposed model, fC to pC of charge transfer is observed per collision. A transition temperature between -10 C to -15 C is also noted beyond which the QSL concept does not hold. This transition temperature is dependent on the bulk liquid water content of the cloud.

  12. Charge transfer and momentum exchange in exospheric D-H(+) and H-D(+) collisions

    NASA Technical Reports Server (NTRS)

    Hodges, R. R., Jr.; Breig, E. L.

    1993-01-01

    Mechanisms that control the escape of deuterium from planetary exospheres include the acceleration of D(+) in the polar wind, and the production of suprathermal D atoms through nonthermal collisions. In this paper we examine the effects of neutral-ion interactions involving deuterium and hydrogen on the velocity distribution of neutral D. A two-center scattering approximation is used as the basis for calculations of the differential cross sections for charge transfer and elastic scatter in collision of H with D(+) and of D with H(+) for ionosphere-exosphere collision energies below 10 e V. These data are used to derive temperature dependent rate coefficients for the charge transfer branches of these interactions, and to determine the effects of ion-neutral temperature differences on the rate of generation of suprathermal D through charge transfer and elastic scatter.

  13. Attosecond timing the ultrafast charge-transfer process in atomic collisions

    SciTech Connect

    Hu, S. X.

    2011-04-15

    By solving the three-dimensional, time-dependent Schroedinger equation, we have demonstrated that the ultrafast charge-transfer process in ion-atom collisions can be mapped out with attosecond extreme uv (xuv) pulses. During the dynamic-charge transfer from the target atom to the projectile ion, the electron coherently populates the two sites of both nuclei, which can be viewed as a 'short-lived' molecular state. A probing attosecond xuv pulse can instantly unleash the delocalized electron from such a ''transient molecule,'' so that the resulting photoelectron may exhibit a ''double-slit'' interference. On the contrary, either reduced or no photoelectron interference will occur if the attosecond xuv pulse strikes well before or after the collision. Therefore, by monitoring the photoelectron interference visibility, one can precisely time the ultrafast charge-transfer process in atomic collisions with time-delayed attosecond xuv pulses.

  14. Charge-transfer-induced evaporation in collisions of Li2+31 clusters with Cs atoms

    NASA Astrophysics Data System (ADS)

    Bréchignac, C.; Cahuzac, Ph.; Concina, B.; Leygnier, J.; Ruiz, L. F.; Zarour, B.; Hervieux, P. A.; Hanssen, J.; Politis, M. F.; Martín, F.

    2003-12-01

    We present a combined theoretical and experimental study of dissociative charge transfer in collisions of slow Li2+31 clusters with Cs atoms. We provide a direct quantitative comparison between theory and experiment and show that good agreement is only found when the experimental time-of-flight and initial cluster temperature are taken into account in the theoretical modeling. This model explains evaporation as resulting from a collisional energy deposit due to cluster electronic excitation during charge transfer. We discuss in detail the basic mechanisms that are responsible for the charge-transfer reaction and different approximations to evaluate the energy deposit.

  15. Charge transfer in Li2+ + He2+ and Li2+ + Li3+ collisions

    NASA Astrophysics Data System (ADS)

    Bräuning, H.; Trassl, R.; Theiß, A.; Diehl, A.; Salzborn, E.; Keim, M.; Achenbach, A.; Lüdde, H. J.; Kirchner, T.

    2005-07-01

    True one-electron collision systems provide an ideal testing ground for theory. Absolute cross sections for charge transfer in the collision systems Li2+ + He2+ and Li2+ + Li3+ have been measured for centre-of-mass energies between 52 and 148 keV and 6 and 63 keV, respectively. The data are compared with calculations using the two-centre basis generator method. A fair agreement between the experimental data and the calculations is found.

  16. Isotope effect in charge-transfer collisions of H with He{sup +}

    SciTech Connect

    Loreau, J.; Dalgarno, A.; Ryabchenko, S.

    2011-11-15

    We present a theoretical study of the isotope effect arising from the replacement of H by T in the charge-transfer collision H(n=2) + He{sup +}(1s) at low energy. Using a quasimolecular approach and a time-dependent wave-packet method, we compute the cross sections for the reaction including the effects of the nonadiabatic radial and rotational couplings. For H(2s) + He{sup +}(1s) collisions, we find a strong isotope effect at energies below 1 eV/amu for both singlet and triplet states. We find a much smaller isotopic dependence of the cross section for H(2p) + He{sup +}(1s) collisions in triplet states, and no isotope effect in singlet states. We explain the isotope effect on the basis of the potential energy curves and the nonadiabatic couplings, and we evaluate the importance of the isotope effect on the charge-transfer rate coefficients.

  17. Kinetic-energy transfer in highly-charged-ion collisions with carbon

    NASA Astrophysics Data System (ADS)

    Lake, R. E.; Arista, N. R.

    2015-11-01

    We present an accurate theoretical model for the charge dependence of kinetic energy transferred in collisions between slow highly charged ions (HCIs) and the atoms in a carbon solid. The model is in excellent agreement with experimental kinetic-energy-loss data for carbon nanomembrane and thin carbon foil targets. This study fills a notable gap in the literature of charged-particle energy loss in the regime of low incident velocity (vp≲2.188 ×106 m/s) where charge states greatly exceed the equilibrium values.

  18. Charge Transfer and Dissociation in Collisions of Metal Clusters with Atoms

    NASA Astrophysics Data System (ADS)

    Bréchignac, C.; Cahuzac, Ph.; Concina, B.; Leygnier, J.; Ruiz, L. F.; Zarour, B.; Hervieux, P. A.; Hanssen, J.; Politis, M. F.; Martín, F.

    2002-10-01

    We present a combined theoretical and experimental study of charge transfer and dissociation in collisions of slow Li2+31 clusters with Cs atoms. We provide a direct quantitative comparison between theory and experiment and show that good agreement is found only when the exact experimental time of flight and initial cluster temperature are taken into account in the theoretical modeling. We demonstrate the validity of the simple physical image that consists in explaining evaporation as resulting from a collisional energy deposit due to cluster electronic excitation during charge transfer.

  19. Numerical study of charge transfer in H+ + He+ and He2+ + Li2+ collisions

    NASA Astrophysics Data System (ADS)

    Minami, T.; Pindzola, M. S.; Lee, T.-G.; Schultz, D. R.

    2007-09-01

    The lattice time-dependent Schrödinger equation (LTDSE) and atomic orbital close coupling (AOCC) methods are applied to calculate the charge transfer cross sections for H+ + He+ and He2+ + Li2+ collisions in the velocity range of 0.5-4.0 atomic units. The comparison of the results is made with those of other theoretical methods and with measurements. This analysis is used to provide a test of the accuracy of LTDSE and AOCC, and to help establish a consensus of theoretical results in comparison with the measurements for these ion-ion collisions.

  20. Charge transfer cross sections for Hg + , Xe + , and Cs + in collision with various metals and carbon

    NASA Astrophysics Data System (ADS)

    Rutherford, J. A.; Vroom, D. A.

    1981-01-01

    Cross sections for charge transfer between Hg+, Xe+, and Cs+ and the atomic species Fe, Mo, Al, Ti, Ta, and C have been measured in the ion energy range from 1 to 5000 eV. In general, the cross sections for charge transfer were found to be less than 2×10-15 cm2 for most processes over the total energy range. The one exception is Hg+ in collision with Ti. The reactants are all open shell atomic species and in most cases where the charge transfer process is exothermic, several resonant pathways exist leading to the products. Some discussion of possible reaction paths is given. The techniques used to form neutral beams of the various species studied is included.

  1. Nonadiabatic couplings and charge transfer study in H + CS+ collision using time-dependent quantum dynamics

    NASA Astrophysics Data System (ADS)

    Kaur, Rajwant; Dhilip Kumar, T. J.

    2015-11-01

    Experiments have reported the high stability of HCS+ ion and inhibit to decompose over the range of collision energies. In this study, the various energy transfer channels of atomic H collision with CS+ molecular ion has been performed by ab initio computations at the multireference configuration interaction/aug-cc-pVQZ level of theory. The ground and several low-lying excited electronic state potential energy surfaces in three different molecular orientations, namely, two collinear configurations with, (1) H approaching the S atom (γ = 0°), (2) H approaching the C atom (γ = 180°) and one perpendicular configuration, (3) H approaching the centre of mass of CS (γ = 90°) with the diatom fixed at the equilibrium bond length, have been obtained. Nonadiabatic effects with Landau-Zener coupling leading to avoided crossings are observed between the ground- and the first-excited states in γ = 90° orientation, and also between the first- and second-excited states in γ = 180° orientation. Quantum dynamics have been performed to study the charge transfer using time-dependent wave packet method on the diabatic potential energy surfaces. The probability of charge transfer is found to be highest with 42% in γ = 180°. The high charge transfer probability result in the formation of H+ + CS channel which ascertains the high stability of HCS+ ion.

  2. Charge transfer in energetic Li2+-H and He+-He+ collisions

    NASA Astrophysics Data System (ADS)

    Mančev, I.

    2009-02-01

    The total cross sections for charge transfer in Li2+-H and He+-He+ collisions have been calculated, using the four body first Born approximation with correct boundary conditions (CB1-4B) and four body continuum distorted wave method (CDW-4B) in the energy range 10-5000 keV/amu. The role of dynamic electron correlations is examined as a function of the impact energy. The present results call for additional experimental data at higher impact energies than presently available.

  3. Ionosphere-exosphere coupling through charge exchange and momentum transfer in hydrogen-proton collisions

    NASA Technical Reports Server (NTRS)

    Hodges, R. R., Jr.; Breig, E. L.

    1991-01-01

    The implications of a traditional assumption of exospheric physics, that collisions of hydrogen atoms and protons preferentially result in charge exchange with negligible momentum transfer are examined. Initially adopted as a necessary convenience to accommodate limited computer resources in exosphere model calculations, this approximation results in a direct transformation of the proton velocity distribution into a hot component of neutral hydrogen. With expanding computational facilities, the need for the approximation has passed. As the first step toward its replacement with a realistic, quantum mechanical model of the H - H(+) collision process, differential and cumulative cross sections were calculated for quantum elastic scattering of indistinguishable nuclei for a fine grid of encounter energies and scattering angles. These data are used to study the nature of ionosphere-exosphere coupling through H - H(+) collisions, and to demonstrate that the distribution of velocities of scattered H produced in the traditional exospheric charge exchange approximation, as well as that arising from an alternative, fluid dynamic approach, leads to unacceptable abundances of coronal atoms in long-term, highly elliptic trajectories.

  4. Vibrationally resolved charge transfer for proton collisions with CO and H collisions with CO{sup +}

    SciTech Connect

    Lin, C. Y.; Stancil, P. C.; Li, Y.; Gu, J. P.; Liebermann, H. P.; Buenker, R. J.; Kimura, M.

    2007-07-15

    Electron capture by protons following collisions with carbon monoxide, and the reverse process, is studied with a quantal molecular-orbital coupled-channel method utilizing the infinite order sudden approximation for collision energies between 0.5 and 1000 eV/u. The potential surfaces and couplings, computed with the multireference single- and double-excitation method for a range of H{sup +}-CO orientation angles and C-O separations, are adopted in the scattering calculations. Results including vibrationally resolved and orientation-angle-dependent cross sections are presented for a range of CO and CO{sup +} vibrational levels. Comparison with experiment is made where possible and the relevance of the reaction in astrophysics and atmospheric physics is discussed.

  5. Charge Transfer in Collisions of Lithium Ions with Beryllium through Oxygen Ions at Energies Below 32 keV/amu

    NASA Astrophysics Data System (ADS)

    Suzuki, S.; Suzuki, S.; Shirai, T.; Shimakura, N.

    The charge transfer cross sections of Li+ (1s2) ions in collisions with B5+ , C6+, N5+ (1s2), and O6+ (1s2) ions, and of Li2+ (1s) ions with Be+ (1s22s) ions are calculated in the collision energy range of 0.02-32 keV/amu by using a semi-classical close-coupling method with molecular-state expansion.

  6. Integral cross section measurements and product recoil velocity distributions of Xe(2+) + N2 hyperthermal charge-transfer collisions.

    PubMed

    Hause, Michael L; Prince, Benjamin D; Bemish, Raymond J

    2016-07-28

    Charge exchange from doubly charged rare gas cations to simple diatomics proceeds with a large cross section and results in populations of many vibrational and electronic product states. The charge exchange between Xe(2+) and N2, in particular, is known to create N2 (+) in both the A and B electronic states. In this work, we present integral charge exchange cross section measurements of the Xe(2+) + N2 reaction as well as axial recoil velocity distributions of the Xe(+) and N2 (+) product ions for collision energies between 0.3 and 100 eV in the center-of-mass (COM) frame. Total charge-exchange cross sections decrease from 70 Å(2) to about 40 Å(2) with increasing collision energy through this range. Analysis of the axial velocity distributions indicates that a Xe(2+) - N2 complex exists at low collision energies but is absent by 17.6 eV COM. Analysis of the axial velocity distributions reveals evidence for complexes with lifetimes comparable to the rotational period at low collision energies. The velocity distributions are consistent with quasi-resonant single charge transfer at high collision energies. PMID:27475363

  7. Integral cross section measurements and product recoil velocity distributions of Xe2+ + N2 hyperthermal charge-transfer collisions

    NASA Astrophysics Data System (ADS)

    Hause, Michael L.; Prince, Benjamin D.; Bemish, Raymond J.

    2016-07-01

    Charge exchange from doubly charged rare gas cations to simple diatomics proceeds with a large cross section and results in populations of many vibrational and electronic product states. The charge exchange between Xe2+ and N2, in particular, is known to create N2 + in both the A and B electronic states. In this work, we present integral charge exchange cross section measurements of the Xe2+ + N2 reaction as well as axial recoil velocity distributions of the Xe+ and N2 + product ions for collision energies between 0.3 and 100 eV in the center-of-mass (COM) frame. Total charge-exchange cross sections decrease from 70 Å2 to about 40 Å2 with increasing collision energy through this range. Analysis of the axial velocity distributions indicates that a Xe2+ - N2 complex exists at low collision energies but is absent by 17.6 eV COM. Analysis of the axial velocity distributions reveals evidence for complexes with lifetimes comparable to the rotational period at low collision energies. The velocity distributions are consistent with quasi-resonant single charge transfer at high collision energies.

  8. Ab initio study of charge-transfer dynamics in collisions of C{sup 2+} ions with hydrogen chloride

    SciTech Connect

    Rozsalyi, E.; Vibok, A.; Bene, E.; Halasz, G. J.; Bacchus-Montabonel, M. C.

    2011-05-15

    Ab initio quantum chemistry molecular calculations followed by a semiclassical dynamical treatment in the keV collision energy range have been developed for the study of the charge-transfer process in collisions of C{sup 2+} ions with hydrogen chloride. The mechanism has been investigated in detail in connection with avoided crossings between states involved in the reaction. A simple mechanism driven by a strong nonadiabatic coupling matrix element has been pointed out for this process. A comparative analysis with the halogen fluoride target corresponding to a similar electronic configuration shows a quite different charge-transfer mechanism leading to a very different behavior of the cross sections. Such behavior may be correlated to specific nonadiabatic interactions observed in these collision systems.

  9. Tuning Charge Transfer in Ion-Surface Collisions at Hyperthermal Energies.

    PubMed

    Yao, Yunxi; Giapis, Konstantinos P

    2016-05-18

    Charge exchange in ion-surface collisions may be influenced by surface adsorbates to alter the charge state of the scattered projectiles. We show here that the positive-ion yield, observed during ion scattering on metal surfaces at low incident energies, is greatly enhanced by adsorbing electronegative species onto the surface. Specifically, when beams of N(+) and O(+) ions are scattered off of clean Au surfaces at hyperthermal energies, no positive ions are observed exiting. Partial adsorption of F atoms on the Au surface, however, leads to the appearance of positively charged primary ions scattering off of Au, a direct result of the increase in the Au work function. The inelastic energy losses for positive-ion exits are slightly larger than the corresponding ionization energies of the respective N and O atoms, which suggest that the detected positive ions are formed by surface reionization during the hard collision event. PMID:26879471

  10. Dynamics of H/sup +/ + Kr and H/sup +/ + Xe elastic and charge-transfer collisions: State-selected differential cross sections at low collision energies

    SciTech Connect

    Baer, M.; Dueren, R.; Friedrich, B.; Niedner, G.; Noll, M.; Toennies, J.P.

    1987-08-01

    Elastic and charge-transfer scattering of protons by Kr and Xe targets has been investigated in a crossed-beam experiment at collision energies E/sub c.m./ = 30.6 and 51.7 eV. The charge-transfer collisions led to the formation of Kr/sup +/( /sup 2/P/sub 3/2/, /sup 2/P/sub 1/2/)+H(n = 1) and Xe/sup +/( /sup 2/P/sub 3/2/, /sup 2/P/sub 1/2/)+H(n = 1,n = 2) products respectively. Interference patterns in the state-selected relative differential cross sections were clearly resolved and have been ascribed to primary and secondary rainbows and/or Stueckelberg-type oscillations. The H/sup +/+Xe collisions have also been investigated theoretically by the exact close-coupling method. A good agreement between theory and experiment has been found. A novel method for determining the absolute H-atom detection efficiency is suggested.

  11. Charge transfer in slow collisions between hydrogen atoms and metal surfaces

    NASA Astrophysics Data System (ADS)

    Bahrim, B.; Thumm, U.

    2002-05-01

    We have developed a new two-center close-coupling approach [1] for slow ion (atom)-surface collision in which the continuum of metal conduction-band states is discretized by using Weyl wave packets [2] to represent the motion of the active electron in the metal subspace. Results for the time evolution of the atomic and metallic population amplitudes for a hydrogen atom in colliding at perpendicular incidence with an model aluminum surface are shown and discussed. For the n=2 hydrogenic manifold, we have obtained converged atomic populations amplitudes by including all projectile levels up to the n=5 manifold and 480 Weyl wave packets in the close-coupling expansion. We will discuss the electron dynamics in particular in view of possible dephasing effects (in distance and time) and recurrence effects that may arrise due to our continuum discretization in term of a finite number of localized Weyl packets. [1] B. Bahrim and U. Thumm, Surf. Sci. 451, 1 (2000), and to appear in Phys. Rev. A. [2] B.H. Bransden and M.R.C. McDowell, "Charge Exchange and the Theory of Ion-Atom Collisions" Clarendon Press (Oxford 1992). Supported by NSF and by the Division of Chemical Sciences, Office of Basic Energy Sciences, Office of Energy Research, U.S. DOE

  12. Numerical study of charge transfer processes in collisions of Be^4+ and He^2+ with atomic hydrogen

    NASA Astrophysics Data System (ADS)

    Minami, Tatsuya; Pindzola, Michael S.; Lee, Teck-Gee

    2005-05-01

    We have calculated state-selective charge-transfer cross sections in collisions of Be^(4+ with H(1s) and of He^2+ with H(1s). We have used the lattice time-dependent Schr"odinger equation (LTDSE) approach, the atomic orbital coupled channel (AOCC) method, and the classical trajectory Monte Carlo (CTMC) method. The calculations are performed with impact energy ranging between 1keV/u and 1MeV/u. With a well chosen basis-function set, we have found that AOCC gives good agreement with LTDSE. Also, with regard to Wigner's n-3 law, we have found that CTMC gives good extrapolations to the cross sections calculated by LTDSE and AOCC toward high n levels such as for those greater than 6. Thus, in our presentation, we will propose theoretical values of the total charge-transfer cross sections for these collision systems based on a combination of the most reliable results of the various method. This research used resources of the Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy under Contract DE-AC05-00OR22725, and also of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC03-76SF00098.

  13. Absolute Charge Transfer and Fragmentation Cross Sections in He{sup 2+}-C{sub 60} Collisions

    SciTech Connect

    Rentenier, A.; Moretto-Capelle, P.; Bordenave-Montesquieu, D.; Bordenave-Montesquieu, A.; Ruiz, L. F.; Diaz-Tendero, S.; Alcami, M.; Martin, F.; Zarour, B.; Hanssen, J.; Hervieux, P.-A.; Politis, M. F.

    2008-05-09

    We have determined absolute charge transfer and fragmentation cross sections in He{sup 2+}+C{sub 60} collisions in the impact-energy range 0.1-250 keV by using a combined experimental and theoretical approach. We have found that the cross sections for the formation of He{sup +} and He{sup 0} are comparable in magnitude, which cannot be explained by the sole contribution of pure single and double electron capture but also by contribution of transfer-ionization processes that are important even at low impact energies. The results show that multifragmentation is important only at impact energies larger than 40 keV; at lower energies, sequential C{sub 2} evaporation is the dominant process.

  14. A model for charge transfer in ultracold Rydberg ground-state atomic collisions

    NASA Astrophysics Data System (ADS)

    Markson, Samuel; Sadeghpour, H. R.

    2016-06-01

    In excited molecules, the interaction between the covalent Rydberg and ion-pair channels forms a unique class of excited states, in which the infinite manifold of vibrational levels are the equivalent of atomic Rydberg states with a heavy electron mass. Production of the ion-pair states usually requires excitation through one or several interacting Rydberg states; these interacting channels lead to loss of flux, diminishing the rate of ion-pair production. Here, we develop an analytical, asymptotic charge-transfer model for the interaction between ultracold Rydberg molecular states, and employ this method to demonstrate the utility of off-resonant field control over the ion-pair formation, with near unity efficiency.

  15. Charge transfer and ionization in collisions of Si{sup 3+} with H from low to high energy

    SciTech Connect

    Wang, J. G.; He, B.; Ning, Y.; Liu, C. L.; Yan, J.; Stancil, P. C.; Schultz, D. R.

    2006-11-15

    Charge transfer processes due to collisions of ground state Si{sup 3+}(3s {sup 1}S) ions with atomic hydrogen are investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) and classical-trajectory Monte Carlo (CTMC) methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained from Herrero et al. [J. Phys. B 29, 5583 (1996)] which were calculated with a full configuration-interaction method. Total and state-selective single-electron capture cross sections are obtained for collision energies from 0.01 eV/u to 1 MeV/u. Total and state-selective rate coefficients are also presented for temperatures from 2x10{sup 3} K to 10{sup 7} K. Comparison with existing data reveals that the total CTMC cross sections are in good agreement with the experimental measurements at the higher considered energies and that previous Landau-Zener calculations underestimate the total rate coefficients by a factor of up to two. The CTMC calculations of target ionization are presented for high energies.

  16. K+ charge transfer in H2 at low keV collisions

    NASA Astrophysics Data System (ADS)

    Alarcón, F. B.; Martinez, H.; Fuentes, B. E.; Yousif, F. B.

    2013-08-01

    Absolute electron capture cross sections for the K+-H2 pair, employing beam collision spectroscopy for 0.4-4 keV energy were measured. The capture cross section increased with the increase in collision energy. The results below 2 keV overlap with previously measured data of other investigators and extend down in energy to 400 eV, where no previous data have been reported. Experimental data were compared with calculations employing the Olson model, which were found to agree in behavior as well as with an absolute value above 100 keV.

  17. L X-ray emission from fast highly charged Cu ions in collisions with gaseous targets: Saturation effect in excitation and transfer

    NASA Astrophysics Data System (ADS)

    Kumar, Ajay; Misra, D.; Kadhane, U.; Kelkar, A. H.; Dhal, B. B.; Tribedi, L. C.

    2006-11-01

    We have measured L X-ray production cross sections for highly charged 156 MeV Be-like Cu ions in collisions with gaseous targets of H 2, Ne, Ar, Kr and Xe. In the present collision systems, measured projectile L X-ray intensity is contributed by the excitation as well as electron transfer processes. The projectile L X-ray production cross sections are found to increase initially and then saturate with increasing target atomic number. The charge state dependence of projectile L X-ray production cross sections have been measured with Kr target.

  18. Investigation of the Direct Charge Transfer in Low Energy D2+ + H Collisions using Merged-Beams Technique

    NASA Astrophysics Data System (ADS)

    Romano, S. L.; Guillen, C. I.; Andrianarijaona, V. M.; Havener, C. C.

    2011-10-01

    The hydrogen - hydrogen (deuterium) molecular ion is the most fundamental ion-molecule two-electron system. Charge transfer (CT) for H2+ on H, which is one of the possible reaction paths for the (H-H2)+ system, is of special interest because of its contribution to H2 formation in the early universe, its exoergicity, and rich collision dynamics. Due to technical difficulty in making an atomic H target, the direct experimental investigations of CT for H2+ on H are sparse and generally limited to higher collision energies. The measurements of the absolute cross section of different CT paths for H2+ on H over a large range of collision energy are needed to benchmark theoretical calculations, especially the ones at low energies. The rate coefficient of CT at low energy is not known but may be comparable to other reaction rate coefficients in cold plasmas with H, H+, H2+, and H3+ as constituents. For instance, CT for H2+ on H and the following H3+ formation reaction H2+ + H2 → H + H3+ are clearly rate interdependent although it was always assumed that every ionization of H2 will lead to the formation of H3+. CT proceeds through dynamically coupled electronic, vibrational and rotational degrees of freedom. One can depict three paths, electronic CT, CT with nuclear substitution, and CT with dissociation. Electronic CT and CT with nuclear substitution in the H2+ on H collisions are not distinguishable by any quantum theory. Here we use the isotopic system (D2+ - H) to measure without ambiguity the electronic CT cross section by observing the H+ products. Using the ion-atom merged-beam apparatus at Oak Ridge National Laboratory, the absolute direct CT cross sections for D2+ + H from keV/u to meV/u collision energies have been measured. The molecular ions are extracted from an Electron-Cyclotron Resonance (ECR) ion source with a vibrational state distribution which is most likely determined by Frank-Condon transitions between ground state D2 and D2+. A ground-state H beam

  19. Energy and charge transfer in O/sup +//sub 2/ on O/sub 2/ collisions: Effects of a ''vibrational rainbow''

    SciTech Connect

    McAfee K.B. Jr.; Hozack, R.S.

    1985-12-01

    The efficient conversion of up to eight vibrational quanta into translational energy is found to occur during O/sup +//sub 2/ --O/sub 2/ collisions. The high efficiency and low deflection angle which are observed in the experiment reported are explained by the occurrence of multiple crossings of the O/sup +//sub 2/ --O/sub 2/ system interaction potentials, specifically the attractive and repulsive symmetry potentials. The energy and charge transfer model evolved from the experimental data proposes that energy transfer in symmetric molecule--ion collisions takes place at very large intermolecular separations. It differs in an important way from previous concepts which suggest that impulsive momentum transfer at relatively short distances is necessary to the exchange of vibrational energy. To explain the data, a distortion of the electron cloud surrounding the colliding systems is conceived to produce charge-transfer oscillations whose frequencies at the crossing points are multiples of molecular vibration frequencies. Such resonances are similar to the more familiar rainbows often observed in molecular collisions. The ease with which energy has been found to be transferred between modes of motion in charged systems affects the thermal, optical, and other properties of plasmas.

  20. Four-body charge transfer processes in collisions of bare projectile ions with helium atoms

    NASA Astrophysics Data System (ADS)

    Jana, S.; Mandal, C. R.; Purkait, M.

    2015-02-01

    Single-electron capture by a bare ion from a helium atom at intermediate and high energies in the framework of four-body distorted wave (DW-4B) approximation in both prior and post form has been considered. In the entrance channel, the initial bound state wave function is distorted by the incoming projectile ion, and the corresponding distortion is related to the Coulomb continuum states of the active electron and the residual target ion in the field of the projectile ion respectively. Continuum states of the active electron and the projectile ion in the field of the residual target ion are also included in the exit channel. It may be mentioned that the effect of dynamic electron correlation is explicitly taken into account through the complete perturbation potential. The total single-electron capture cross sections are obtained by summing over all contributions up to n = 3 shells and sub-shells respectively. In addition, the differential cross sections for alpha particle-helium collision are calculated at impact energies of 60, 150, 300, 450, and 630 keV amu-1, respectively. The cross sections exhibit a monotonically decreasing angular dependence, with clear peak structures around 0.1 to 0.2 mrad being found at low impact energies. The current theoretical results, both in prior and post forms of the transition amplitude for symmetric and asymmetric collision, are compared with the available theoretical and experimental results. Current computed results have been found to be satisfactory in comparison with other theoretical and experimental findings.

  1. Charge transfer in H/+/-H and H/+/-D collisions within the energy range 0.1-150 eV

    NASA Technical Reports Server (NTRS)

    Newman, J. H.; Cogan, J. D.; Ziegler, D. L.; Nitz, D. E.; Rundel, R. D.; Smith, K. A.; Stebbings, R. F.

    1982-01-01

    Absolute charge-transfer cross sections for collisions of protons with hydrogen and deuterium atoms have been measured within the energy range 0.1 to 150 eV using the merging-beams technique. The results are in excellent agreement with a fully quantum-mechanical treatment of this reaction. Earlier measurements which extended down to about 10 eV lie somewhat above the present values.

  2. Lattice, Time-Dependent Schrodinger Equation Approach for Charge Transfer in Collisions of Be4+ with Atomic Hydrogen

    SciTech Connect

    Minami, Tatsuya; Pindzola, Michael S; Lee, Teck G; Schultz, David Robert

    2006-01-01

    A test of the lattice, time-dependent Schrodinger equation (LTDSE) method for treating inelastic ion-atom collisions is performed by treating state-selective charge transfer in 10-1000 keV/u Be4+ + H collisions. This system possessesa greater charge asymmetry of the colliding nuclei than has been treated in previous applications of the method. Consequently, its ability to represent well the dynamical evolution of the electronic wavefunction within the combination of a shallow and a deep potential well with a single coordinate- and momentumspace discretization is tested. New results are also computed using other, standard approaches, the atomic-orbital close-coupling and classical trajectory Monte Carlo methods, to provide comparisons with the LTDSE results owing to their well-established regimes of applicability and behaviours.

  3. Numerical study of charge transfer in ion-ion collisions using the lattice time-dependent Schr"odinger equation method

    NASA Astrophysics Data System (ADS)

    Minami, T.; Pindzola, M. S.; Lee, T.-G.; Schultz, D. R.

    2006-05-01

    Br"auning, et.al. (J. Phys. B, 38, p2311) recently measured cross sections of charge transfer in collisions of He^2+ with Li^2+. At the same time, they also performed calculations of the cross sections of this collision system and of collisions of H^+ with He^+ using the basis generator method (BGM). For the former system, BGM seems to overestimate the cross sections compared to their experiment, while for the latter system, BGM provides excellent agreement with past experiments. Since both are ion-ion collision with asymmetrical nuclear charges involving one electron, BGM agreeing one system but the other points to a situation requiring further study. Motivated by this question, we have performed atomic orbital coupled channel (AOCC) calculations for both systems. When we use our most complete basis set for the calculations, we obtain results close to BGM on both systems. However, results from AOCC do not readily converge with regard to the size of the basis sets and therefore results were not conclusive. We also have performed the lattice time-dependent Schr"odinger equation (LTDSE) calculations. Preliminary results for both systems by LTDSE are close to BGM. In this presentation, we compare BGM, AOCC and LTDSE with the experiment. This research used resources of NCCS at ORNL and NERSC, and was supported by DOE OFES.

  4. Vibrational mode and collision energy effects on reaction of H{sub 2}CO{sup +} with C{sub 2}H{sub 2}: Charge state competition and the role of Franck-Condon factors in endoergic charge transfer

    SciTech Connect

    Liu Jianbo; Van Devener, Brian; Anderson, Scott L.

    2005-11-22

    The effects of collision energy (E{sub col}) and six different H{sub 2}CO{sup +} vibrational states on the title reaction have been studied over the center-of-mass E{sub col} range from 0.1 to 2.6 eV, including measurements of product ion recoil velocity distributions. Ab initio and Rice-Ramsperger-Kassel-Marcus calculations were used to examine the properties of complexes and transition states that might be important in mediating the reaction. Reaction is largely direct, despite the presence of multiple deep wells on the potential surface. Five product channels are observed, with a total reaction cross section at the collision limit. The competition among the major H{sub 2}{sup +} transfer, hydrogen transfer, and proton transfer channels is strongly affected by E{sub col} and H{sub 2}CO{sup +} vibrational excitation, providing insight into the factors that control competition and charge state 'unmixing' during product separation. One of the more interesting results is that endoergic charge transfer appears to be controlled by Franck-Condon factors, implying that it occurs at large inter-reactant separations, contrary to the expectation that endoergic reactions should require intimate collisions to drive the necessary energy conversion.

  5. Comparative study on contribution of charge-transfer collision to excitations of iron ion between argon radio-frequency inductively-coupled plasma and nitrogen microwave induced plasma

    NASA Astrophysics Data System (ADS)

    Satoh, Kozue; Wagatsuma, Kazuaki

    2015-06-01

    This paper describes an ionization/excitation phenomenon of singly-ionized iron occurring in an Okamoto-cavity microwave induced plasma (MIP) as well as an argon radio-frequency inductively-coupled plasma (ICP), by comparing the Boltzmann distribution among iron ionic lines (Fe II) having a wide range of the excitation energy from 4.76 to 9.01 eV. It indicated in both the plasmas that plots of Fe II lines having lower excitation energies (4.76 to 5.88 eV) were fitted on each linear relationship, implying that their excitations were caused by a dominant thermal process such as collision with energetic electron. However, Fe II lines having higher excitation energies (more than 7.55 eV) had a different behavior from each other. In the ICP, Boltzmann plots of Fe II lines assigned to the higher excited levels also followed the normal Boltzmann relationship among the low-lying excited levels, even including a deviation from it in particular excited levels having an excitation energy of ca. 7.8 eV. This deviation can be attributed to a charge-transfer collision with argon ion, which results in the overpopulation of these excited levels, but the contribution is small. On the other hand, the distribution of the high-lying excited levels was non-thermal in the Okamoto-cavity MIP, which did not follow the normal Boltzmann relationship among the low-lying excited levels. A probable reason for the non-thermal characteristics in the MIP is that a charge-transfer collision with nitrogen molecule ion having many vibrational/rotational levels could work for populating the 3d64p (3d54s4p) excited levels of iron ion broadly over an energy range of 7.6-9.0 eV, while collisional excitation by energetic electron would occur insufficiently to excite these high-energy levels.

  6. Excitation and charge transfer in low-energy hydrogen-atom collisions with neutral atoms: Theory, comparisons, and application to Ca

    NASA Astrophysics Data System (ADS)

    Barklem, Paul S.

    2016-04-01

    A theoretical method is presented for the estimation of cross sections and rates for excitation and charge-transfer processes in low-energy hydrogen-atom collisions with neutral atoms, based on an asymptotic two-electron model of ionic-covalent interactions in the neutral atom-hydrogen-atom system. The calculation of potentials and nonadiabatic radial couplings using the method is demonstrated. The potentials are used together with the multichannel Landau-Zener model to calculate cross sections and rate coefficients. The main feature of the method is that it employs asymptotically exact atomic wave functions, which can be determined from known atomic parameters. The method is applied to Li+H , Na+H , and Mg+H collisions, and the results compare well with existing detailed full-quantum calculations. The method is applied to the astrophysically important problem of Ca+H collisions, and rate coefficients are calculated for temperatures in the range 1000-20 000 K.

  7. Charge-exchange collisions in the low-velocity regime between multiply charged ions and atoms

    SciTech Connect

    Andersson, L.R. )

    1993-06-05

    Close-coupling calculations using a full quantum mechanical molecular-orbital model have been carried out for low-energy charge-exchange collisions with multiply charged ions. Trajectory effects at eV/amu energies are exemplified by the isotope-dependence of the charge-exchange cross sections and the polarization-induced enhancement of the capture probability in O[sup 5+]--H(D) collisions. An unfavorable comparison with experimental differential cross sections for Ar[sup 6+]--He collisions leads to a discussion of transfer-excitation caused by configuration mixing in the Ar[sup 5+] capture states.

  8. Charge-transfer processes in collisions of He{sup 2+} ions with H{sub 2}, N{sub 2}, O{sub 2}, CO, and CO{sub 2} molecules below 4 keV/u

    SciTech Connect

    Kusakabe, Toshio; Miyamoto, Yoshiharu; Kimura, Mineo; Tawara, Hiroyuki

    2006-02-15

    Single- and double-charge-transfer cross sections of {sup 3}He{sup 2+} ions in collisions with N{sub 2}, O{sub 2}, CO, and CO{sub 2} molecules have been measured in the energy range of 0.20 to 2.7 keV/u. In addition, the same type of measurements for H{sub 2} molecules has been also carried out again for energies in the range from 0.13 to 0.40 keV/u. For all molecules except for CO{sub 2}, the present single-charge-transfer cross sections are found to be generally larger than, or at least comparable to, double-charge-transfer cross sections in the energy region studied. This is a marked difference in comparison to experimental results reported earlier where a sharp increase for double charge transfer was observed below 0.3 keV/u. The double-charge-transfer cross sections are found to be apparently larger than single-charge-transfer cross sections only for CO{sub 2} molecules at energies below 0.8 keV/u. A theoretical analysis based on a close-coupling method within a molecular representation has also been carried out for H{sub 2} and CO targets to provide some insights.

  9. Theoretical investigation of charge transfer in collisions of C/sup 6 +/ and N/sup 7 +/ ions with H and H/sub 2/ targets at low to intermediate energy

    SciTech Connect

    Kimura, M.

    1986-06-01

    Recent measurements by Meyer et al. (Phys. Rev. A 32, 3310 (1985)) have revealed that the charge-transfer cross section for N/sup 7 +/+H collisions is much larger than that for N/sup 7 +/+H/sub 2/ collisions below 3 keV/amu, whereas the opposite trend is seen in the measured charge-transfer cross sections for C/sup 6 +/ on H and H/sub 2/ targets. These anomalous experimental findings have been investigated for the first time theoretically, using the traveling-molecular-orbital expansion approach, in the energy range from 0.14 to 9 keV/amu. Our qualitative argument based on adiabatic potentials and corresponding couplings as well as a five-state close-coupling calculation provides support for experimental findings.

  10. Charge transferred in brush discharges

    NASA Astrophysics Data System (ADS)

    Talarek, M.; Kacprzyk, R.

    2015-10-01

    Electrostatic discharges from surfaces of plastic materials can be a source of ignition, when appear in explosive atmospheres. Incendivity of electrostatic discharges can be estimated using the transferred charge test. In the case of brush discharges not all the energy stored at the tested sample is released and the effective surface charge density (or surface potential) crater is observed after the discharge. Simplified model, enabling calculation of a charge transferred during electrostatic brush discharge, was presented. Comparison of the results obtained from the simplified model and from direct measurements of transferred charge are presented in the paper.

  11. Resonance charge transfer, transport cross sections, and collision integrals for N(+)(3P)-N(4S0) and O(+)(4S0)-O(3P) interactions

    NASA Technical Reports Server (NTRS)

    Stallcop, James R.; Partridge, Harry; Levin, Eugene

    1991-01-01

    N2(+) and O2(+) potential energy curves have been constructed by combining measured data with the results from electronic structure calculations. These potential curves have been employed to determine accurate charge exchange cross sections, transport cross sections, and collision integrals for ground state N(+)-N and O(+)-O interactions. The cross sections have been calculated from a semiclassical approximation to the scattering using a computer code that fits a spline curve through the discrete potential data and incorporates the proper long-range behavior of the interactions forces. The collision integrals are tabulated for a broad range of temperatures 250-100,000 K and are intended to reduce the uncertainty in the values of the transport properties of nonequilibrium air, particularly at high temperatures.

  12. Catalysis: Quantifying charge transfer

    NASA Astrophysics Data System (ADS)

    James, Trevor E.; Campbell, Charles T.

    2016-02-01

    Improving the design of catalytic materials for clean energy production requires a better understanding of their electronic properties, which remains experimentally challenging. Researchers now quantify the number of electrons transferred from metal nanoparticles to an oxide support as a function of particle size.

  13. Measurement techniques and applications of charge transfer to aerospace research

    NASA Technical Reports Server (NTRS)

    Smith, A.

    1978-01-01

    A technique of developing high-velocity low-intensity neutral gas beams for use in aerospace research problems is described. This technique involves ionization of gaseous species with a mass spectrometer and focusing the resulting primary ion beam into a collision chamber containing a static gas at a known pressure and temperature. Equations are given to show how charge-transfer cross sections are obtained from a total-current measurement technique. Important parameters are defined for the charge-transfer process.

  14. Resonant-transfer-and-excitation for highly charged ions (16 less than or equal to Z less than or equal to 23) in collisions with helium

    SciTech Connect

    Tanis, J.A.; Bernstein, E.M.; Oglesby, C.S.; Graham, W.G.; Clark, M.; McFarland, R.H.; Morgan, T.J.; Stockli, M.P.; Berkner, K.H.; Johnson, B.M.

    1984-01-01

    Significant new evidence is presented for resonant-transfer-and-excitation (RTE) in ion-atom collisions. This process occurs when a target electron is captured simultaneously with the excitation of the projectile followed by deexcitation via photon emission. RTE, which is analogous to dielectronic recombination (DR), proceeds via the inverse of an Auger transition, and is expected to be resonant for projectile velocities corresponding to the energy of the ejected electron in the Auger process. RTE was investigated by measuring cross sections for projectile K x-ray emission coincident with single electron capture for 15 to 200 MeV /sub 16/S/sup 13 +/, 100 to 360 MeV /sub 20/Ca/sup 16 +/ /sup 17 +/ /sup 18 +/ and 180 to 460 MeV /sub 23/V/sup 19 +/ /sup 20 +/ /sup 21 +/ ions colliding with helium. Strong resonant behavior, in agreement with theoretical calculations of RTE, was observed in the coincidence cross sections.

  15. An ab initio and experimental study of vibrational effects in low energy O++C2H2 charge-transfer collisions

    NASA Astrophysics Data System (ADS)

    Fukuzawa, Kaori; Matsushita, Toshio; Morokuma, Keiji; Levandier, Dale J.; Chiu, Yu-hui; Dressler, Rainer A.; Murad, Edmond; Midey, Anthony; Williams, Skip; Viggiano, Albert A.

    2001-08-01

    Theoretical and experimental studies are performed to elucidate the low energy charge-transfer dynamics of the reaction, O+(4S)+C2H2(X 1Σg+)→O+C2H2+. In particular, the role of the low-frequency acetylene bending modes (612 and 730 cm-1) in promoting charge transfer was examined. High-temperature guided-ion beam measurements are carried out over the energy range from near-thermal to 3 eV at 310 and 610 K. The charge-transfer cross sections are found to decrease up to 0.5 eV, to have a constant value at intermediate energies between 0.5 and 1.5 eV, and then to dramatically increase above a threshold of a spin-allowed process determined to be at 1.7 eV. A bending vibrational enhancement of ˜8 is observed at intermediate energies. Thermal energy rate co-efficients are measured in a variable temperature-selected ion flow drift tube apparatus from 193 to 500 K. At each temperature, a negative energy dependence is observed. In order to elucidate the reaction mechanism in detail, high level ab initio calculations using Complete Active Space Self-Consistent Field and Multi-Reference Single- and Double-excitation Configuration Interaction methods have been performed. The results indicate that the charge transfer reaction occurs at an early stage via nonadiabatic transition between quartet and doublet states. There is a weak van der Waals minimum at the entrance channel between O+(4S) and C2H2 with the relative energy of -1.51 kcal/mol. The minimum of the quartet/doublet crossing seam (Q/D MSX), where the spin-forbidden nonadiabatic transition is most likely to take place, lies very near this minimum at RCO=4.06 Å, RCC=1.20 Å, and ∠CCH=166.6° with a relative energy of -1.48 kcal/mol. After the nonadiabatic transition, the system propagates on the doublet surface to reach the exothermic O(1D)+C2H2+(X˜2Πu) products. No energy barrier exists on the reaction pathway, strongly suggesting that the reaction should occur at low energy with a negative energy dependence

  16. Momentum transfer in relativistic heavy ion charge-exchange reactions

    NASA Technical Reports Server (NTRS)

    Townsend, L. W.; Wilson, J. W.; Khan, F.; Khandelwal, G. S.

    1991-01-01

    Relativistic heavy ion charge-exchange reactions yield fragments (Delta-Z = + 1) whose longitudinal momentum distributions are downshifted by larger values than those associated with the remaining fragments (Delta-Z = 1, -2,...). Kinematics alone cannot account for the observed downshifts; therefore, an additional contribution from collision dynamics must be included. In this work, an optical model description of collision momentum transfer is used to estimate the additional dynamical momentum downshift. Good agreement between theoretical estimates and experimental data is obtained.

  17. Femtosecond laser field induced modifications of electron-transfer processes in Ne{sup +}-He collisions

    SciTech Connect

    Lu Zhenzhong; Chen Deying; Fan Rongwei; Xia Yuanqin

    2012-01-02

    We demonstrate the presence of femtosecond laser induced charge transfer in Ne{sup +}-He collisions. Electron transfer in ion-atom collisions is considerably modified when the collision is embedded in a strong laser field with the laser intensity of {approx}10{sup 15} W/cm{sup 2}. The observed anisotropy of the He{sup +} angular distribution confirms the prediction of early work that the capture probability varies significantly with the laser polarization angle.

  18. Overview on collision processes of highly charged ions with atoms present status and problems

    SciTech Connect

    Janev, R.K.

    1983-05-01

    This paper provides a brief discussion on the present status of the collision physics of highly charged ions with atoms. The emphasis is on the main achievements in understanding and describing the most important collision processes, and as charge transfer, ionization and Auger-type processes, and even more on those open problems which, due either to their scientific or practical importance, represent challenges to current research in this field. The paper concentrates on general ideas and problems whose development and solutions have advanced or will advance our basic understanding of the collision dynamics of multiply charged ions with atoms.

  19. Correlated charge-changing ion-atom collisions

    SciTech Connect

    Tanis, J.A.

    1992-04-01

    This report summarizes the progress and accomplishments in accelerator atomic physics research supported by DOE grant DE-FG02-87ER13778 from March 16, 1991 through March 15, 1992. This work involves the experimental investigation of fundamental atomic processes in collisions of charged projectiles with neutral targets or electrons, with particular emphasis on two-electron interactions and electron correlation effects. Processes involving combinations of excitation, ionization, and charge transfer are investigated utilizing coincidence techniques in which projectiles charge-changing events are associated with x-ray emission, target recoil ions, or electron emission. New results have been obtained for studies involving (1) resonant recombination of atomic ions, (2) double ionization of helium, and (3) continuum electron emission. Experiments were conducted using accelerators at the Lawrence Berkeley Laboratory, Argonne National Laboratory, Michigan State University, Western Michigan University, and the Institute of Nuclear Research, Debrecen, Hungary. Brief summaries of work completed and work in progress are given in this report.

  20. Differential Cross Sections for Charge Transfer in Collisions between Protons and the Ions He+, Li2+, Be3+, B4+, and C5+

    NASA Astrophysics Data System (ADS)

    Winter, Thomas

    2014-05-01

    Coupled-state differential cross sections are being determined for electron transfer in collisions between keV-energy protons and the hydrogenic ions He+, Li2+, Be3+, B4+, and C5+. Integrated cross sections for these five collisional systems using a two-center, coupled-Sturmian-pseudostate approach have been recently reported. Differential cross sections were previously considered for He+ targets only; those calculations used smaller two-center Sturmian bases, as well as triple-center, atomic-state bases. In the eikonal approach taken in that and earlier papers, the differential cross sections were obtained by integrating the transition amplitude from the scattering calculation over impact parameter after multiplying by a suitable energy phase and a Bessel function. A simpler approach, also taken, was just to multiply the square of the transition amplitude at the classical scattering angle corresponding to the impact parameter by the Rutherford scattering cross section, an approach probably valid at large scattering angles and small impact parameters.

  1. Contact charge-transfer lasers

    SciTech Connect

    Dharamsi, A.N.; Tulip, J.

    1981-07-01

    A mechanism for sustaining population inversions in contact charge-transfer complexes in which the ground electronic state is not bound is described. The mechanism relies on picosecond radiationless depletion of the lower laser state. This generates an inversion even when the ground-state potential curve, as plotted against the donor-acceptor distance, is not repulsive vertically below the excited state minimum. Contact charge-transfer lasers would offer high gain, high-energy density, and tunable sources of coherent radiation in the uv and visible. A method for pumping such a laser is examined and applied to the pyrrole-oxygen complex. A rate equation analysis is done and estimates for gain and energy density are presented.

  2. Charge Transfer Calculations and Database for Astrophysics

    NASA Technical Reports Server (NTRS)

    Wang, J. G.; Stancil, P. C.; Rakovic, M.; Schultz, D. R.; Zygelman, B.

    2002-01-01

    A variety of theoretical approaches, having different but overlapping energy ranges of applicability, are applied to investigate charge transfer processes for collisions of atomic ions with atoms and molecules. The methods include quantal molecular-orbital close-coupling, classical trajectory Monte Carlo, and continuum distorted wave methods. Recent collision systems studied include S(+4) + H, S(+4) + He, N(+7) + He, H2O, CO, and CO2, O(+q)(q = 1 - 8) + H, H2, and S(+q)(q = 1 - 16) + H2. The database effort is concentrating on astrophysically important reactions of atomic ions X(+q)(X=H-Zn, q=1-4, and selected higher charges) with H, He, various metal atoms, H2, and other selected molecular targets. Existing data, much of it produced by us, has been compiled and critically evaluated. Data for many reactions missing in the literature are estimated using the multichannel Landau-Zener approximation. Fits to cross sections and rate coefficients using standard functions are provided as well as tabulations of the raw data. The database is available on the World Wide Web at cfadc.phy.ornl.gov/astro/ps/data.

  3. Charge-Transfer Versus Charge-Transfer-Like Excitations Revisited

    SciTech Connect

    Moore, Barry; Sun, Haitao; Govind, Niranjan; Kowalski, Karol; Autschbach, Jochen

    2015-07-14

    Criteria to assess charge-transfer (CT) and `CT-like' character of electronic excitations are examined. Time-dependent density functional theory (TDDFT) with non-hybrid, hybrid, and tuned long-range corrected (LC) functionals is compared with with coupled-cluster (CC) benchmarks. The test set includes an organic CT complex, two `push-pull' donor-acceptor chromophores, a cyanine dye, and several polycyclic aromatic hydrocarbons. Proper CT is easily identified. Excitations with significant density changes upon excitation within regions of close spatial proximity can also be diagnosed. For such excitations, the use of LC functionals in TDDFT sometimes leads to dramatic improvements of the singlet energies, similar to proper CT, which has led to the concept of `CT-like' excitations. However, `CT-like' excitations are not like charge transfer, and the improvements are not obtained for the right reasons. The triplet excitation energies are underestimated for all systems, often severely. For the `CT-like' candidates, when going from a non-hybrid to an LC functional the error in the singlet-triplet (S/T) separation changes from negative to positive, providing error compensation. For the cyanine, the S/T separation is too large with all functionals, leading to the best error compensation for non-hybrid functionals.

  4. Argand diagram representation of orbiting resonance in proton-transfer collision

    NASA Astrophysics Data System (ADS)

    Lutrus, C. K.; Suck Salk, S. H.

    1991-05-01

    Dynamic resonance in atom-diatomic molecule collisions has been relatively well studied compared to orbiting resonance. We discuss orbiting resonance on reactive scattering involving proton (charge) transfer. Resonance structure is predicted to exist at forward-scattering angles in both the state-to-state angular distribution and the Argand diagram for the proton-transfer collision system of He+H+2-->HeH++H. The present study demonstrates the possibility of orbiting resonance particularly in proton (charge) -transfer reaction involving atom-diatomic molecule systems.

  5. Universal behavior of charged particle production in heavy ion collisions

    NASA Astrophysics Data System (ADS)

    Phobos Collaboration; Steinberg, Peter A.; Back, B. B.; Baker, M. D.; Barton, D. S.; Betts, R. R.; Ballintijn, M.; Bickley, A. A.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Decowski, M. P.; Garcia, E.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Heintzelman, G. A.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; McLeod, D.; Michałowski, J.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Skulski, W.; Steadman, S. G.; Steinberg, P.; Stephans, G. S. F.; Stodulski, M.; Sukhanov, A.; Tang, J.-L.; Teng, R.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Wadsworth, B.; Wolfs, F. L. H.; Wosiek, B.; Woźniak, K.; Wuosmaa, A. H.; Wysłouch, B.

    2003-03-01

    The PHOBOS experiment at RHIC has measured the multiplicity of primary charged particles as a function of centrality and pseudorapidity in Au+Au collisions at sqrt(s_NN) = 19.6, 130 and 200 GeV. Two kinds of universal behavior are observed in charged particle production in heavy ion collisions. The first is that forward particle production, over a range of energies, follows a universal limiting curve with a non-trivial centrality dependence. The second arises from comparisons with pp/pbar-p and e+e- data. N_tot/(N_part/2) in nuclear collisions at high energy scales with sqrt(s) in a similar way as N_tot in e+e- collisions and has a very weak centrality dependence. This feature may be related to a reduction in the leading particle effect due to the multiple collisions suffered per participant in heavy ion collisions.

  6. UNIVERSAL BEHAVIOR OF CHARGED PARTICLE PRODUCTION IN HEAVY ION COLLISIONS.

    SciTech Connect

    STEINBERG,P.A.FOR THE PHOBOS COLLABORATION

    2002-07-24

    The PHOBOS experiment at RHIC has measured the multiplicity of primary charged particles as a function of centrality and pseudorapidity in Au+Au collisions at {radical}(s{sub NN}) = 19.6, 130 and 200 GeV. Two observations indicate universal behavior of charged particle production in heavy ion collisions. The first is that forward particle production, over a range of energies, follows a universal limiting curve with a non-trivial centrality dependence. The second arises from comparisons with pp/{bar p}p and e{sup +}e{sup -} data. / in nuclear collisions at high energy scales with {radical}s in a similar way as N{sub ch} in e{sup +}e{sup -} collisions and has a very weak centrality dependence. These features may be related to a reduction in the leading particle effect due to the multiple collisions suffered per participant in heavy ion collisions.

  7. Long-range charge transfer in biopolymers

    NASA Astrophysics Data System (ADS)

    Astakhova, T. Yu; Likhachev, V. N.; Vinogradov, G. A.

    2012-11-01

    The results of theoretical and experimental studies on the charge transfer in biopolymers, namely, DNA and peptides, are presented. Conditions that ensure the efficient long-range charge transport (by several tens of nanometres) are considered. The known theoretical models of charge transfer mechanisms are discussed and the scopes of their application are analyzed. Attention is focused on the charge transport by the polaron mechanism. The bibliography includes 262 references.

  8. Neutral Collisions and Charge Exchange in Titan's Exosphere

    NASA Astrophysics Data System (ADS)

    Sillanpää, I.; Johnson, R. E.

    2012-12-01

    Results from new hybrid simulations for Titan are presented. These simulations take into account the elastic collisions between ions and neutral gas as well as the charge exchange reactions for protons and oxygen ions. We used SRIM [1] cross sections for hydrogen and oxygen ions in nitrogen gas to calculate cross sections for the five ions species used in the HYB-Titan hybrid model [2, see also 3] (H+, H2+, O+, CH4+, and N2+). The N2 density profile used was from INMS measurements over a dozen flybys. In addition, we are studying the effect the charge transfer (CT) reactions for H+ and O+ leading to simple CT, dissociative CT and CT with ionization. All reaction cross sections are energy dependent. Neutral particles are not created, but the total ENA energy is recorded as well as the resulting reaction rates. The results show that both of neutral collisions and CT processes have a significant role in the development and shape of Titan's ionotail and wake structure. Results will be described in detail as well as the implications of the ion-neutral collisions for the heating of Titan's neutral corona and atmospheric escape [4]. References [1] Stopping and Range of Ions in Matter (SRIM), Monte Carlo software by James F. Ziegler (online at http://www.srim.org/ ) [2] Sillanpää, I., Hybrid Modelling of Titan's Interaction with the Magnetosphere of Saturn, Ph.D. dissertation, Finnish Meteorological Contributions, 68, Yliopistopaino, Helsinki, 2008. (online at http://urn.fi/URN:ISBN:978-951-697-660-3) [3] Sillanpää, I., D. Young, F. Crary, M. Thomsen, D. Reisenfeld, J-E.Wahlund, C. Bertucci, E. Kallio, R. Jarvinen, and P. Janhunen, Cassini Plasma Spectro:meter and Hybrid Model Study on Titan's Interaction: Effect of Oxygen Ions, J. Geophys. Res., doi:10.1029/2011JA016443, 2011. [4] Johnson, R.E., O.J. Tucker, M. Michael, E.C. Sittler, H.T. Smith, D.T. Young, and J.H. Waite, Mass Loss Processes in Titan's Upper Atmosphere, Chap. 15 in "Titan from Cassini-Huygens" (eds

  9. Relative charge transfer cross section from Rb (4d)

    NASA Astrophysics Data System (ADS)

    Shah, M. H.; Camp, H. A.; Trachy, M. L.; Fléchard, X.; Gearba, M. A.; Nguyen, H.; Brédy, R.; Lundeen, S. R.; Depaola, B. D.

    2005-08-01

    Relative charge transfer cross section measurements for the excited state Rb(4d) with 7keV Na+ is reported. The specific channels reported are Na++Rb(4d5/2)→Na(nl)+Rb+ , where the dominant transfer cross sections channels were nl=3d and 4s . Using a combination of a magneto-optical trap and recoil ion momentum spectroscopy (MOTRIMS methodology), the cross sections were measured relative to the previously studied Na++Rb(5s,5p) systems at the same collision energy.

  10. Relative charge transfer cross section from Rb(4d)

    SciTech Connect

    Shah, M.H.; Camp, H.A.; Trachy, M.L.; De Paola, B.D.; Flechard, X.; Gearba, M.A.; Nguyen, H.; Bredy, R.; Lundeen, S.R.

    2005-08-15

    Relative charge transfer cross section measurements for the excited state Rb(4d) with 7 keV Na{sup +} is reported. The specific channels reported are Na{sup +}+Rb(4d{sub 5/2}){yields}Na(nl)+Rb{sup +}, where the dominant transfer cross sections channels were nl=3d and 4s. Using a combination of a magneto-optical trap and recoil ion momentum spectroscopy (MOTRIMS methodology), the cross sections were measured relative to the previously studied Na{sup +}+Rb(5s,5p) systems at the same collision energy.

  11. Ultrafast Measurement Confirms Charge Generation through Cold Charge Transfer States

    NASA Astrophysics Data System (ADS)

    Gautam, Bhoj; Younts, Robert; Yan, Liang; Danilov, Evgeny; Ade, Harald; You, Wei; Gundogdu, Kenan

    2015-03-01

    The role of excess energy in generation and extraction of charges through charge transfer (CT) states in polymer solar cells is a subject of debate. There are reports suggesting increase of charge generation yield with excess energy based on ultrafast experiments. On the other hand time delayed collection field measurements shows that excess photon energy has no effect in photovoltaic efficiency. Here we resolved this discrepancy by studying the dynamics of CT excitons and polarons in blends of medium gap copolymers. We found that low-lying charge transfer (CT) excitons can generate charges over a long time period (nanosecond) and contribute photocurrent on the bulk heterojunction devices. By performing resonant CT excitation as well as above gap excitation transient absorption measurements we investigated that the charges are generated more efficiently through low-lying CT states in efficient devices independent of excitation energy. This work is supported by Office of Naval Research Grant N000141310526 P00002.

  12. Production of charge in heavy ion collisions

    NASA Astrophysics Data System (ADS)

    Pratt, Scott; McCormack, William Patrick; Ratti, Claudia

    2015-12-01

    By analyzing preliminary experimental measurements of charge-balance functions from the STAR Collaboration at the Relativistic Heavy Ion Collider (RHIC), it is found that scenarios in which balancing charges are produced in a single surge, and therefore separated by a single length scale, are inconsistent with data. In contrast, a model that assumes two surges, one associated with the formation of a thermalized quark-gluon plasma and a second associated with hadronization, provides a far superior reproduction of the data. A statistical analysis of the model comparison finds that the two-surge model best reproduces the data if the charge production from the first surge is similar to expectations for equilibrated matter taken from lattice gauge theory. The charges created in the first surge appear to separate by approximately one unit of spatial rapidity before emission, while charges from the second wave appear to have separated by approximately a half unit or less.

  13. Opposites Attract: Organic Charge Transfer Salts

    ERIC Educational Resources Information Center

    van de Wouw, Heidi L.; Chamorro, Juan; Quintero, Michael; Klausen, Rebekka S.

    2015-01-01

    A laboratory experiment is described that introduces second-year undergraduate organic chemistry students to organic electronic materials. The discovery of metallic conductivity in the charge transfer salt tetrathiafulvalene tetracyanoquinodimethane (TTF-TCNQ) is a landmark result in the history of organic electronics. The charge transfer…

  14. Room Temperature Multiferroicity of Charge Transfer Crystals.

    PubMed

    Qin, Wei; Chen, Xiaomin; Li, Huashan; Gong, Maogang; Yuan, Guoliang; Grossman, Jeffrey C; Wuttig, Manfred; Ren, Shenqiang

    2015-09-22

    Room temperature multiferroics has been a frontier research field by manipulating spin-driven ferroelectricity or charge-order-driven magnetism. Charge-transfer crystals based on electron donor and acceptor assembly, exhibiting simultaneous spin ordering, are drawing significant interests for the development of all-organic magnetoelectric multiferroics. Here, we report that a remarkable anisotropic magnetization and room temperature multiferroicity can be achieved through assembly of thiophene donor and fullerene acceptor. The crystal motif directs the dimensional and compositional control of charge-transfer networks that could switch magnetization under external stimuli, thereby opening up an attractive class of all-organic nanoferronics. PMID:26257033

  15. Magnetohydrodynamics and charge identified directed flow in heavy ion collisions

    NASA Astrophysics Data System (ADS)

    Gürsoy, Umut; Kharzeev, Dmitri; Rajagopal, Krishna

    2016-01-01

    Strong magnetic fields produced in any non-central heavy ion collision are expected to affect the dynamics of the hot QCD matter produced in this collision. The magnetic field is time-dependent and the medium is expanding, which leads to the induction of charged currents due to the combination of Faraday and Hall effects. We study the imprint the magnetic fields produced in non-central heavy ion collisions leave on the azimuthal distributions and correlations of the produced charged hadrons by employing an analytic solution to hydrodynamics combined with the electromagnetic effects in a perturbative fashion. We use the Cooper-Frye freeze-out procedure on an isothermal freeze-out surface to obtain the azimuthal hadron distributions. We find that the charged currents induced by the present of the electromagnetic fields result in a charge-dependent directed flow v1 that is odd in rapidity and odd under charge exchange. It can be detected by measuring correlations between the directed flow of charged hadrons at different rapidities, < v1±(y1)v1±(y2) > .

  16. Ultrafast charge transfer and atomic orbital polarization

    SciTech Connect

    Deppe, M.; Foehlisch, A.; Hennies, F.; Nagasono, M.; Beye, M.; Sanchez-Portal, D.; Echenique, P. M.; Wurth, W.

    2007-11-07

    The role of orbital polarization for ultrafast charge transfer between an atomic adsorbate and a substrate is explored. Core hole clock spectroscopy with linearly polarized x-ray radiation allows to selectively excite adsorbate resonance states with defined spatial orientation relative to the substrate surface. For c(4x2)S/Ru(0001) the charge transfer times between the sulfur 2s{sup -1}3p*{sup +1} antibonding resonance and the ruthenium substrate have been studied, with the 2s electron excited into the 3p{sub perpendicular}* state along the surface normal and the 3p{sub parallel}* state in the surface plane. The charge transfer times are determined as 0.18{+-}0.07 and 0.84{+-}0.23 fs, respectively. This variation is the direct consequence of the different adsorbate-substrate orbital overlap.

  17. Charge-transfer magnetoelectrics of polymeric multiferroics.

    PubMed

    Qin, Wei; Jasion, Daniel; Chen, Xiaomin; Wuttig, Manfred; Ren, Shenqiang

    2014-04-22

    The renaissance of multiferroics has yielded a deeper understanding of magneto-electric coupling of inorganic single-phase multiferroics and composites. Here, we report charge-transfer polymeric multiferroics, which exhibit external field-controlled magnetic, ferroelectric, and microwave response, as well as magneto-dielectric coupling. The charge-transfer-controlled ferroic properties result from the magnetic field-tunable triplet exciton which has been validated by the dynamic polaron-bipolaron transition model. In addition, the temperature-dependent dielectric discontinuity and electric-field-dependent polarization confirms room temperature ferroelectricity of crystalline charge-transfer polymeric multiferroics due to the triplet exciton, which allows the tunability of polarization by the photoexcitation. PMID:24654686

  18. Spacecraft Charging in Geostationary Transfer Orbit

    NASA Technical Reports Server (NTRS)

    Parker, Linda Neergaard; Minow, Joseph I.

    2014-01-01

    The 700 km x 5.8 Re orbit of the two Van Allen Probes spacecraft provide a unique opportunity to investigate spacecraft charging in geostationary transfer orbits. We use records from the Helium Oxygen Proton Electron (HOPE) plasma spectrometer to identify candidate surface charging events based on the "ion line" charging signature in the ion records. We summarize the energetic particle environment and the conditions necessary for charging to occur in this environment. We discuss the altitude, duration, and magnitude of events observed in the Van Allen Probes from the beginning of the mission to present time. In addition, we explore what information the dual satellites provide on the spatial and temporal variations in the charging environments.

  19. Orientation-dependent dissociative charge transfer

    SciTech Connect

    Wu, W.; Prior, M.H.; Braeuning, H.

    1998-01-01

    Recoil-ion momentum spectroscopy and molecular fragment imaging techniques are combined to study dissociative electron capture from He by HeH{sup +} at 0.20-a.u. collision velocity. Groups of final HeH states which dissociate to ground or excited H and He atoms are separated. For each group, the experiment provides two-dimensional H fragment distributions with respect to the collision plane and for fixed transverse momentum transfer. These patterns show that the capture probability is highest for HeH{sup +} ions with their axis oriented normal to the scattering plane for two of the three groups populated. {copyright} {ital 1998} {ital The American Physical Society}

  20. Biological charge transfer via flickering resonance.

    PubMed

    Zhang, Yuqi; Liu, Chaoren; Balaeff, Alexander; Skourtis, Spiros S; Beratan, David N

    2014-07-15

    Biological electron-transfer (ET) reactions are typically described in the framework of coherent two-state electron tunneling or multistep hopping. However, these ET reactions may involve multiple redox cofactors in van der Waals contact with each other and with vibronic broadenings on the same scale as the energy gaps among the species. In this regime, fluctuations of the molecular structures and of the medium can produce transient energy level matching among multiple electronic states. This transient degeneracy, or flickering electronic resonance among states, is found to support coherent (ballistic) charge transfer. Importantly, ET rates arising from a flickering resonance (FR) mechanism will decay exponentially with distance because the probability of energy matching multiple states is multiplicative. The distance dependence of FR transport thus mimics the exponential decay that is usually associated with electron tunneling, although FR transport involves real carrier population on the bridge and is not a tunneling phenomenon. Likely candidates for FR transport are macromolecules with ET groups in van der Waals contact: DNA, bacterial nanowires, multiheme proteins, strongly coupled porphyrin arrays, and proteins with closely packed redox-active residues. The theory developed here is used to analyze DNA charge-transfer kinetics, and we find that charge-transfer distances up to three to four bases may be accounted for with this mechanism. Thus, the observed rapid (exponential) distance dependence of DNA ET rates over distances of ≲ 15 Å does not necessarily prove a tunneling mechanism. PMID:24965367

  1. Radiative charge transfer in He{sup +}+ H{sub 2} collisions in the milli- to nano-electron-volt range: A theoretical study within state-to-state and optical potential approaches

    SciTech Connect

    Mrugala, Felicja; Kraemer, Wolfgang P.

    2013-03-14

    The paper presents a theoretical study of the low-energy dynamics of the radiative charge transfer (RCT) reaction He{sup +}({sup 2}S)+H{sub 2}(X{sup 1}{Sigma}{sub g}{sup +}){yields}He({sup 1}S)+H{sub 2}{sup +}(X{sup 2}{Sigma}{sub g}{sup +})+h{nu} extending our previous studies on radiative association of HeH{sub 2}{sup +} [F. Mrugala, V. Spirko, and W. P. Kraemer, J. Chem. Phys. 118, 10547 (2003); F. Mrugala and W. P. Kraemer, ibid. 122, 224321 (2005)]. The calculations account for the vibrational and rotational motions of the H{sub 2}/H{sub 2}{sup +} diatomics and for the atom-diatom complex formation in the reactant and the product channels of the RCT reaction. Continuum states of He{sup +}+ H{sub 2}(v= 0, j= 0) in the collision energy range {approx}10{sup -7}-18.6 meV and all quasi-bound states of the He{sup +}- H{sub 2}(para;v= 0) complex formed in this range are taken into account. Close-coupling calculations are performed to determine rates of radiative transitions from these states to the continuum and quasi-bound states of the He +H{sub 2}{sup +} system in the energy range extending up to {approx}0.16 eV above the opening of the HeH{sup +}+ H arrangement channel. From the detailed state-to-state calculated characteristics global functions of the RCT reaction, such as cross-section {sigma}(E), emission intensity I({nu}, T), and rate constant k(T) are derived, and are presented together with their counterparts for the radiative association (RA) reaction He{sup +}({sup 2}S) +H{sub 2}(X{sup 1}{Sigma}{sub g}{sup +}){yields} HeH{sub 2}{sup +}(X{sup 2}A{sup Prime })+h{nu}. The rate constant k{sup RCT} is approximately 20 times larger than k{sup RA} at the considered temperatures, 0.1 {mu}K-50 K. Formation of rotational Feshbach resonances in the reactant channel plays an important role in both reactions. Transitions mediated by these resonances contribute more than 70% to the respective rates. An extension of the one-dimensional optical potential model is

  2. Ab initio molecular treatment for charge transfer by P{sup 3+} ions on hydrogen and helium

    SciTech Connect

    Moussa, A.; Zaidi, A.; Lahmar, S.; Bacchus-Montabonel, M.-C.

    2010-02-15

    A theoretical treatment of charge-transfer processes induced by collision of phosphorus P{sup 3+}(3s{sup 2}){sup 1}S ions on atomic hydrogen and helium has been carried out using ab initio potential-energy curves and couplings at the multireference configuration interaction level of theory. The cross sections calculated by means of semiclassical collision methods show the existence of a significant charge transfer in the 0.1-700-keV laboratory energy range. Radial and rotational coupling interactions were analyzed for both collision systems.

  3. Charge transfer and association of protons colliding with potassium from very low to intermediate energies

    SciTech Connect

    Liu, C. H.; Qu, Y. Z.; Wang, J. G.; Li, Y.; Buenker, R. J.

    2010-01-15

    The nonradiative charge-transfer process for H{sup +}+K(4s) collision is investigated using the quantum-mechanical molecular-orbital close-coupling method for collision energies from 1 eV to 10 keV. The radiative-decay and radiative charge transfer cross sections are calculated using the optical potential approach and the fully quantal method, respectively, for the energy range of 10{sup -5}-10 eV. The radiative-association cross sections are obtained by subtracting the radiative charge-transfer part from total radiative-decay cross sections. The relevant molecular data are calculated from the multireference single- and double-excitation configuration interaction approach. The nonradiative charge transfer is the dominant mechanism at energies above 2 eV, whereas the radiative charge transfer becomes primary in the low-energy region of E<1.5 eV. The present radiative-decay cross sections disagree with the calculations of Watanabe et al. [Phys. Rev. A 66, 044701 (2002)]. The total charge-transfer rate coefficient is obtained in the temperature range of 1-20000 K.

  4. Effect of collisions on dust particle charging via particle-in-cell Monte-Carlo collision

    SciTech Connect

    Rovagnati, B.; Davoudabadi, M.; Lapenta, G.; Mashayek, F.

    2007-10-01

    In this paper, the effect of collisions on the charging and shielding of a single dust particle immersed in an infinite plasma is studied. A Monte-Carlo collision (MCC) algorithm is implemented in the particle-in-cell DEMOCRITUS code to account for the collisional phenomena which are typical of dusty plasmas in plasma processing, namely, electron-neutral elastic scattering, ion-neutral elastic scattering, and ion-neutral charge exchange. Both small and large dust particle radii, as compared to the characteristic Debye lengths, are considered. The trends of the steady-state dust particle potential at increasing collisionality are presented and discussed. The ions and electron energy distributions at various locations and at increasing collisionality in the case of large particle radius are shown and compared to their local Maxwellians. The ion-neutral charge-exchange collision is found to be by far the most important collisional phenomenon. For small particle radius, collisional effects are found to be important also at low level of collisionality, as more ions are collected by the dust particle due to the destruction of trapped ion orbits. For large particle radius, the major collisional effect is observed to take place in proximity of the presheath. Finally, the species energy distribution functions are found to approach their local Maxwellians at increasing collisionality.

  5. Correlated charge-changing ion-atom collisions. Progress report, March 16, 1991--March 15, 1992

    SciTech Connect

    Tanis, J.A.

    1992-04-01

    This report summarizes the progress and accomplishments in accelerator atomic physics research supported by DOE grant DE-FG02-87ER13778 from March 16, 1991 through March 15, 1992. This work involves the experimental investigation of fundamental atomic processes in collisions of charged projectiles with neutral targets or electrons, with particular emphasis on two-electron interactions and electron correlation effects. Processes involving combinations of excitation, ionization, and charge transfer are investigated utilizing coincidence techniques in which projectiles charge-changing events are associated with x-ray emission, target recoil ions, or electron emission. New results have been obtained for studies involving (1) resonant recombination of atomic ions, (2) double ionization of helium, and (3) continuum electron emission. Experiments were conducted using accelerators at the Lawrence Berkeley Laboratory, Argonne National Laboratory, Michigan State University, Western Michigan University, and the Institute of Nuclear Research, Debrecen, Hungary. Brief summaries of work completed and work in progress are given in this report.

  6. Electron impact collision strengths for excitation of highly charged ions

    SciTech Connect

    Sampson, D.H. . Dept. of Astronomy and Astrophysics)

    1990-08-20

    The principle task given us by the Lawrence Livermore National Laboratory (LLNL) to perform under Subcontract 6181405 was to develop a method and corresponding computer programs to make very rapid, yet accurate, fully relativistic and quasirelativistic calculations of cross sections or collision strengths for electron impact excitation of highly charged ions with any value for the nuclear charge number Z. Also while this major code development was being done we were asked to calculate cross sections of interest using our previous rapid, more approximate codes, which used hydrogenic basis functions and screening constants with both the electron-electron Coulomb interaction and relativistic interactions included by perturbation theory. We were also asked to determine the branching ratio for ionization to various final states in complex cases, where two or more states corresponding to the final configuration of the ion were possible.

  7. Production of heavy isotopes in transfer reactions by collisions of {sup 238}U+{sup 238}U

    SciTech Connect

    Feng Zhaoqing; Jin Genming; Li Junqing

    2009-12-15

    The dynamics of transfer reactions in collisions of two very heavy nuclei {sup 238}U+{sup 238}U is studied within the dinuclear system (DNS) model. Collisions of two actinide nuclei form a superheavy composite system during a very short time, in which a large number of charge and mass transfers may take place. Such reactions have been investigated experimentally as an alternative way for the production of heavy and superheavy nuclei. The role of collision orientation in the production cross sections of heavy nuclides is analyzed systematically. Calculations show that the cross sections decrease drastically as the charged numbers of the heavy fragments increase. The transfer mechanism is favorable to synthesizing heavy neutron-rich isotopes, such as nuclei around the subclosure at N=162 from No (Z=102) to Db (Z=105)

  8. Pattern classification using charge transfer devices

    NASA Technical Reports Server (NTRS)

    1980-01-01

    The feasibility of using charge transfer devices in the classification of multispectral imagery was investigated by evaluating particular devices to determine their suitability in matrix multiplication subsystem of a pattern classifier and by designing a protype of such a system. Particular attention was given to analog-analog correlator devices which consist of two tapped delay lines, chip multipliers, and a summed output. The design for the classifier and a printed circuit layout for the analog boards were completed and the boards were fabricated. A test j:g for the board was built and checkout was begun.

  9. Coronene-based charge-transfer complexes

    NASA Astrophysics Data System (ADS)

    Yoshida, Yukihiro; Isomura, Kazuhide; Kumagai, Yoshihide; Maesato, Mitsuhiko; Kishida, Hideo; Mizuno, Motohiro; Saito, Gunzi

    2016-08-01

    Recent developments in the arena of charge-transfer complexes composed of the D 6h-symmetric polycyclic aromatic hydrocarbon, coronene, are highlighted with emphasis on the structural and physical properties of these complexes. Because of the dual electron-donating and -accepting abilities of coronene, this group involves structurally-defined four cation salts and three anion salts. The Jahn–Teller distortions and in-plane motion of coronene molecules in the solids, both of which are closely associated with the high symmetry of coronene molecules, and syntheses of clathrate-type complexes are also presented.

  10. Coronene-based charge-transfer complexes.

    PubMed

    Yoshida, Yukihiro; Isomura, Kazuhide; Kumagai, Yoshihide; Maesato, Mitsuhiko; Kishida, Hideo; Mizuno, Motohiro; Saito, Gunzi

    2016-08-01

    Recent developments in the arena of charge-transfer complexes composed of the D 6h-symmetric polycyclic aromatic hydrocarbon, coronene, are highlighted with emphasis on the structural and physical properties of these complexes. Because of the dual electron-donating and -accepting abilities of coronene, this group involves structurally-defined four cation salts and three anion salts. The Jahn-Teller distortions and in-plane motion of coronene molecules in the solids, both of which are closely associated with the high symmetry of coronene molecules, and syntheses of clathrate-type complexes are also presented. PMID:27294380

  11. Theory of transfer reactions in peripheral heavy-ion collisions

    SciTech Connect

    Rapisarda, A. Istituto Nazionale di Fisica Nucleare, Sezione di Catania, Corso Italia 57, I-95129 Catania, Italy ); Baldo, M. ); Broglia, R.A. The Niels Bohr Institute, University of Copenhagen, DK-2100 Copenhagen O, Denmark ); Winther, A. )

    1990-03-01

    The total absorption from the elastic channel due to transfer and inelastic processes in peripheral heavy-ion collisions at low bombarding energies is calculated in a microscopic coupled-channel approach. It is demonstrated for the first time that considering the depopulation of the entrance channel as an incoherent depopulation due to transfer processes is a good approximation. Using the corresponding absorptive potential within the framework of the Born approximation to calculate the transfer to individual channels, the results of full coupled-channels calculations are accurately reproduced.

  12. Nucleic Acid Charge Transfer: Black, White and Gray

    PubMed Central

    Venkatramani, Ravindra; Keinan, Shahar; Balaeff, Alexander; Beratan, David N.

    2011-01-01

    Theoretical studies of charge transport in deoxyribonucleic acid (DNA) and peptide nucleic acid (PNA) indicate that structure and dynamics modulate the charge transfer rates, and that different members of a structural ensemble support different charge transport mechanisms. Here, we review the influences of nucleobase geometry, electronic structure, solvent environment, and thermal conformational fluctuations on the charge transfer mechanism. We describe an emerging framework for understanding the diversity of charge transport mechanisms seen in nucleic acids. PMID:21528017

  13. Systematics of Charged Particle Production in Heavy-Ion Collisions with the PHOBOS Detector at Rhic

    NASA Astrophysics Data System (ADS)

    Steinberg, Peter A.; Back, B. B.; Baker, M. D.; Barton, D. S.; Betts, R. R.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Corbo, J.; Decowski, M. P.; Garcia, E.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Henderson, C.; Hicks, D.; Hofman, D.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; McLeod, D.; Michałowski, J.; Mignerey, A.; Mülmenstädt, J.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Rafelski, M.; Rbeiz, M.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Skulski, W.; Steadman, S. G.; Steinberg, P.; Stephans, G. S. F.; Stodulski, M.; Sukhanov, A.; Tang, J.-L.; Teng, R.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Wadsworth, B.; Wolfs, F. L. H.; Wosiek, B.; Woźniak, K.; Wuosmaa, A. H.; Wysłouch, B.

    2002-03-01

    The multiplicity of charged particles produced in Au+Au collisions as a function of energy, centrality, rapidity and azimuthal angle has been measured with the PHOBOS detector at RHIC. These results contribute to our understanding of the initial state of heavy ion collisions and provide a means to compare basic features of particle production in nuclear collisions with more elementary systems.

  14. Multiple scattering and charged-particle - hydrogen-atom collisions

    NASA Technical Reports Server (NTRS)

    Franco, V.; Thomas, B. K.

    1979-01-01

    Glauber-approximation scattering amplitudes for charged-particle - hydrogen-atom elastic and inelastic collisions are derived directly in terms of the known particle-electron and particle-proton Coulomb scattering amplitudes and the known hydrogen-atom form factors. It is shown that the particle-hydrogen amplitude contains no single-scattering term. The double-scattering term is obtained as a two-dimensional integral in momentum space. It is demonstrated how the result can be used as the starting point for an alternative and relatively simple derivation, in closed form, of the Glauber particle-hydrogen scattering amplitude for transitions from the ground state to an arbitrary (nlm) state.

  15. Charge exchange collisions of slow C6 + with atomic and molecular H

    NASA Astrophysics Data System (ADS)

    Saha, Bidhan C.; Guevara, Nicolais L.; Sabin, John R.; Deumens, Erik; Öhrn, Yngve

    2016-04-01

    Charge exchange in collisions of C6+ ions with H and H2 is investigated theoretically at projectile energies 0.1 < E < 10 keV/amu, using electron nuclear dynamics (END) - a semi-classical approximation which not only includes electron translation factors for avoiding spurious couplings but also employs full dynamical trajectories to treat nuclear motions. Both the total and partial cross sections are reported for the collision of C6+ ions with atomic and molecular hydrogen. A comparison with other theoretical and experimental results shows, in general good agreement except at very low energy, considered here. For H2, the one- and two-electron charge exchange cross sections are calculated and compared with other theoretical and experimental results. Small but non-negligible isotope effects are found at the lowest energy studied in the charge transfer of C6+ with H. In low energy region, it is observed that H2 has larger isotope effects than H atom due to the polarizability effect which is larger than the mass effect.

  16. Charge transfer reaction laser with preionization means

    NASA Technical Reports Server (NTRS)

    Lauderslager, J. B.; Pacala, T. J. (Inventor)

    1978-01-01

    A helium-nitrogen laser is described in which energy in the visible range is emitted as a result of charge transfer reaction between helium ions and nitrogen molecules. The helium and nitrogen are present in a gas mixture at several atmospheres pressure, with a nitrogen partial pressure on the order of a pair of main discharge electrodes, the gas mixture is preionized to prevent arcing when the discharge pulse is applied. The preionization is achieved by the application of a high voltage across a pair of secondary electrodes which are spaced apart in a direction perpendicular to the spacing direction of the main discharge electrodes and the longitudinal axis of the space in which the gas mixture is contained. Feedback, by means of a pair of appropriately spaced mirrors, is provided, to produce coherent energy pulses at a selected wavelength.

  17. Charge transfer-mediated singlet fission.

    PubMed

    Monahan, N; Zhu, X-Y

    2015-04-01

    Singlet fission, the splitting of a singlet exciton into two triplet excitons in molecular materials, is interesting not only as a model many-electron problem, but also as a process with potential applications in solar energy conversion. Here we discuss limitations of the conventional four-electron and molecular dimer model in describing singlet fission in crystalline organic semiconductors, such as pentacene and tetracene. We emphasize the need to consider electronic delocalization, which is responsible for the decisive role played by the Mott-Wannier exciton, also called the charge transfer (CT) exciton, in mediating singlet fission. At the strong electronic coupling limit, the initial excitation creates a quantum superposition of singlet, CT, and triplet-pair states, and we present experimental evidence for this interpretation. We also discuss the most recent attempts at translating this mechanistic understanding into design principles for CT state-mediated intramolecular singlet fission in oligomers and polymers. PMID:25648486

  18. Charge Transfer-Mediated Singlet Fission

    NASA Astrophysics Data System (ADS)

    Monahan, N.; Zhu, X.-Y.

    2015-04-01

    Singlet fission, the splitting of a singlet exciton into two triplet excitons in molecular materials, is interesting not only as a model many-electron problem, but also as a process with potential applications in solar energy conversion. Here we discuss limitations of the conventional four-electron and molecular dimer model in describing singlet fission in crystalline organic semiconductors, such as pentacene and tetracene. We emphasize the need to consider electronic delocalization, which is responsible for the decisive role played by the Mott-Wannier exciton, also called the charge transfer (CT) exciton, in mediating singlet fission. At the strong electronic coupling limit, the initial excitation creates a quantum superposition of singlet, CT, and triplet-pair states, and we present experimental evidence for this interpretation. We also discuss the most recent attempts at translating this mechanistic understanding into design principles for CT state-mediated intramolecular singlet fission in oligomers and polymers.

  19. Energy and charge transfer for Na+ ions scattered from a Ag(001) surface

    NASA Astrophysics Data System (ADS)

    Ray, M. P.; Lake, R. E.; Marston, J. B.; Sosolik, C. E.

    2015-05-01

    We present energy- and charge-resolved measurements of low and hyperthermal energy Na+ ions scattered from a Ag(001) surface. With the primary ion beam oriented along the [110] crystal direction, distinct peaks in the energy distributions of the scattered beam flux that correspond to single or multiple collisions with target atoms are observed. A classical trajectory simulation reveals that these collisions can occur either at the surface or within the [110] channels, depending on incident beam energy. Within the simulation we probe the role of finite temperature and thermally displaced atoms on specific scattering events and show that contributions to the scattered distributions from single and double collisions dominate within the [110] channels. We also report velocity dependent measurements of the neutral/ion ratio of the scattered beam flux. A deviation between the data and simulated charge transfer results is observed for Na trajectories which penetrate the surface.

  20. Solid-to-Liquid Charge Transfer for Generating Droplets with Tunable Charge.

    PubMed

    Sun, Yajuan; Huang, Xu; Soh, Siowling

    2016-08-16

    Charged liquid droplets are typically generated by a high-voltage power supply. Herein, a previously unreported method is used for charging liquid droplets: by transferring charge from an insulating solid surface charged by contact electrification to the droplets. Charging the solid surface by contact electrification involves bringing it into contact with another solid surface for generating static charge. Subsequently, water droplets that flow across the surface are found to be charged-thus, the charge is readily transferred from solid to liquid. The charge of the droplets can be tuned continuously from positive to negative by varying the way the solid surface is charged. The amount of charge generated is sufficient for manipulating, coalescing, and sorting the water droplets by solid surfaces charged by contact electrification. This method of generating charged droplets is general, simple, inexpensive, and does not need any additional equipment or power supply. PMID:27417888

  1. Charge-exchange collision dynamics and ion engine grid geometry optimization

    NASA Astrophysics Data System (ADS)

    Morris, Bradford

    The development of a new three-dimensional model for determining the absolute energy distribution of ions at points corresponding to spacecraft surfaces to the side of an ion engine is presented. The ions resulting from elastic collisions, both charge-exchange (CEX) and direct, between energetic primary ions and thermal neutral xenon atoms are accounted for. Highly resolved energy distributions of CEX ions are found by integration over contributions from all points in space within the main beam formed by the primary ions.The sputtering rate due to impingement of these ions on a surface is calculated. The CEX ions that obtain significant energy (10 eV or more) in the collision are responsible for the majority of the sputtering, though this can depend on the specific material being sputtered. In the case of a molybdenum surface located 60 cm to the side of a 30 cm diameter grid, nearly 90% of the sputtering is due to the 5% of ions with the highest collision exit energies. Previous models that do not model collision energetics cannot predict this. The present results agree with other models and predict that the majority of the ion density is due to collisions where little to no energy is transferred.The sputtering model is combined with a grid-structure model in an optimization procedure where the sputtering rate at specified locations is minimized by adjustment of parameters defining the physical shape of the engine grids. Constraints are imposed that require that the deflection of the grid under a specified load does not exceed a maximum value, in order to ensure survivability of the grids during launch. To faciliate faster execution of the calculations, simplifications based on the predicted behavior of the CEX ions are implemented. For diametrically opposed sputtering locations, a rounded barrel-vault shape reduces the expected sputtering rate by up to 30% in comparison to an NSTAR-shaped grid.

  2. Charge-transfer excitons in DNA.

    PubMed

    Conwell, E M; McLaughlin, P M; Bloch, S M

    2008-02-21

    There have been a number of theoretical treatments of excitons in DNA, most neglecting both the intrachain and interchain wavefunction overlaps of the electron and hole, treating them as Frenkel excitons. Recently, the importance of the intrachain and interchain coupling has been highlighted. Experiments have shown that in (dA)n oligomers and in duplex (dA)n.(dT)n, to be abbreviated (A/T), where A is adenine and T is thymine, the exciton wavefunction is delocalized over several bases. In duplexes it is possible to have charge-transfer (CT) excitons. Theoretical calculations have suggested that CT excitons in DNA may have lower energy than single chain excitons. In all the calculations of excitons in DNA, the polarization of the surrounding water has been neglected. Calculations have shown, however, that polarization of the water by an excess electron or a hole in DNA lowers its energy by approximately 1/2 eV, causing it to become a polaron. It is therefore to be expected that polarization charge induced in the surrounding water has a significant effect on the properties of the exciton. In what follows, we present calculations of some properties CT excitons would have in an A/T duplex taking into account the wavefunction overlaps, the effect of the surrounding water, which results in the electron and hole becoming polarons, and the ions in the water. As expected, the CT exciton has lowest energy when the electron and hole polarons are directly opposite each other. By appropriate choice of the dielectric constant, we can obtain a CT exciton delocalized over the number of sites found in photoinduced absorption experiments. The absorption threshold that we then calculate for CT exciton creation in A/T is in reasonable agreement with the lowest singlet absorption deduced from available data. PMID:18232682

  3. Database for inelastic collisions of sodium atoms with electrons, protons, and multiply charged ions

    SciTech Connect

    Igenbergs, K.; Schweinzer, J.; Bray, I.; Bridi, D.; Aumayr, F.

    2008-11-15

    The available experimental and theoretical cross section data for inelastic collision processes of ground (3s) and excited (3p, 4s, 3d, 4p, 5s, 4d, and 4f) state Na atoms with electrons, protons, and multiply charged ions have been collected and critically assessed. In addition to existing data, electron-impact cross sections, for both excitation and ionization, have been calculated using the convergent close-coupling approach. In the case of proton-impact cross section, the database was enlarged by new atomic-orbital close-coupling calculations. Both electron-impact and proton-impact processes include excitation from the ground state and between excited states (n = 3-5). For electron-impact, ionization from all states is also considered. In the case of proton-impact electron loss, cross sections (the sum of ionization and single-electron charge transfer) are given. Well-established analytical formulae used to fit cross sections, published by Wutte et al. and Schweinzer et al. for collisions with lithium atoms, were adapted to sodium. The 'recommended cross sections' for the processes considered have been critically evaluated and fitted using the adapted analytical formulae. For each inelastic process the fit parameters determined are tabulated. We also present the assessed data in graphical form. The criteria for comprehensively evaluating the accuracy of the experimental data, theoretical calculations, and procedures used in determining the recommended cross sections are discussed.

  4. Delayed thermal fluorescence in some charge-transfer crystals

    NASA Astrophysics Data System (ADS)

    Kozankiewicz, B.; Prochorow, J.

    1984-03-01

    Time-resolved spectra of long-lived emission of tetrachlorophthalic-hexamethylbenzene charge-transfer crystal were measured at different temperatures. The results give a clear evidence for the existence of E-type delayed fluorescence that results from thermal activation of trapped charge-transfer triplet excitone.

  5. Universal behavior of charged particle production in heavy ion collisions at RHIC energies

    NASA Astrophysics Data System (ADS)

    Steinberg, Peter A.; Back, B. B.; Baker, M. D.; Barton, D. S.; Betts, R. R.; Ballintijn, M.; Bickley, A. A.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Decowski, M. P.; García, E.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Heintzelman, G. A.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Holyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; McLeod, D.; Michałowski, J.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Skulski, W.; Steadman, S. G.; Steinberg, P.; Stephans, G. S. F.; Stodulski, M.; Sukhanov, A.; Tang, J.-L.; Teng, R.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Wadsworth, B.; Wolfs, F. L. H.; Wosiek, B.; Woźniak, K.; Wuosmaa, A. H.; Wysłouch, B.; Phobos Collaboration

    2003-04-01

    The PHOBOS experiment at RHIC has measured the multiplicity of primary charged particles as a function of centrality and pseudorapidity in Au+Au collisions at √ SNN = 19.6, 130 and 200 GeV. Two kinds of universal behavior are observed in charged particle production in heavy ion collisions. The first is that forward particle production, over a range of energies, follows a universal limiting curve with a non-trivial centrality dependence. The second arises from comparisons with pp/ overlinepp and e +e - data. < Nch>/< Npart/2> in nuclear collisions at high energy scales with √ s in a similar way as Nch in e +e - collisions and has a very weak centrality dependence. This feature may be related to a reduction in the leading particle effect due to the multiple collisions suffered per participant in heavy ion collisions.

  6. Probing Ion Transfer across Liquid-Liquid Interfaces by Monitoring Collisions of Single Femtoliter Oil Droplets on Ultramicroelectrodes.

    PubMed

    Deng, Haiqiang; Dick, Jeffrey E; Kummer, Sina; Kragl, Udo; Strauss, Steven H; Bard, Allen J

    2016-08-01

    We describe a method of observing collisions of single femtoliter (fL) oil (i.e., toluene) droplets that are dispersed in water on an ultramicroelectrode (UME) to probe the ion transfer across the oil/water interface. The oil-in-water emulsion was stabilized by an ionic liquid, in which the oil droplet trapped a highly hydrophobic redox probe, rubrene. The ionic liquid also functions as the supporting electrolyte in toluene. When the potential of the UME was biased such that rubrene oxidation would be possible when a droplet collided with the electrode, no current spikes were observed. This implies that the rubrene radical cation is not hydrophilic enough to transfer into the aqueous phase. We show that current spikes are observed when tetrabutylammonium trifluoromethanesulfonate or tetrahexylammonium hexafluorophosphate are introduced into the toluene phase and when tetrabutylammonium perchlorate is introduced into the water phase, implying that the ion transfer facilitates electron transfer in the droplet collisions. The current (i)-time (t) behavior was evaluated quantitatively, which indicated the ion transfer is fast and reversible. Furthermore, the size of these emulsion droplets can also be calculated from the electrochemical collision. We further investigated the potential dependence on the electrochemical collision response in the presence of tetrabutylammonium trifluoromethanesulfonate in toluene to obtain the formal ion transfer potential of tetrabutylammonium across the toluene/water interface, which was determined to be 0.754 V in the inner potential scale. The results yield new physical insights into the charge balance mechanism in emulsion droplet collisions and indicate that the electrochemical collision technique can be used to probe formal ion transfer potentials between water and solvents with very low (ε < 5) dielectric constants. PMID:27387789

  7. Directed Flow of Charged Kaons in Au+Au Collisions from the BES Program at RHIC

    NASA Astrophysics Data System (ADS)

    Pandit, Yadav; STAR Collaboration

    2015-08-01

    We report the measurement of the directed flow (v1) for charged kaons in Au+Au collisions at =7.7, 11.5, 19.6, 27, 39, 62.4 and 200 GeV as a function of rapidity and compare these results for pions, protons and antiprotons. These new kaon results may help to constrain the medium properties and collision dynamics including the in-medium kaon potential and baryon number transport in these collisions.

  8. Single charge exchange in collision of fast protons with hydrogen molecules

    NASA Astrophysics Data System (ADS)

    Ghanbari-Adivi, Ebrahim; Sattarpour, Seyedeh Hedyeh

    2015-11-01

    Single charge transfer process in collision of energetic protons with molecular hydrogens is theoretically studied using a first-order two-effective-center Born approximation. The correct boundary conditions are incorporated in the formalism and the Hartree-Fock molecular wave function for molecular targets and the residual ions are used to calculate the transition amplitude. The interference patterns in the capture differential cross-sections (DCSs) for a given fixed orientation of the molecule, due to the scattering from the two-atomic centers in the molecular targets, are examined. The dependence of the DCSs upon the angle between the molecular axis and the direction of the incident velocity is theoretically investigated. Both average differential and integral cross-sections are calculated. The obtained results are compared with the available experimental data.

  9. Calculation of total cross sections for charge exchange in molecular collisions

    NASA Technical Reports Server (NTRS)

    Ioup, J.

    1979-01-01

    Areas of investigation summarized include nitrogen ion-nitrogen molecule collisions; molecular collisions with surfaces; molecular identification from analysis of cracking patterns of selected gases; computer modelling of a quadrupole mass spectrometer; study of space charge in a quadrupole; transmission of the 127 deg cylindrical electrostatic analyzer; and mass spectrometer data deconvolution.

  10. An instrument for charge measurement due to a single collision between two spherical particles

    NASA Astrophysics Data System (ADS)

    Xie, L.; Bao, N.; Jiang, Y.; Han, K.; Zhou, J.

    2016-01-01

    It universally exists in moving particular systems that particles can be electrified, in which the particles are chemically identical, just as toner particles, coal dust, and pharmaceutical powders. However, owing to the limit of experimental instruments, so far, there are yet no experiments to illustrate whether a particle can be electrified due to a single collision between two spherical particles, and there are also no experiments to measure the charge carried by a single particle due to a single collision between two particles. So we have developed an instrument for charge measurement due to a single collision between two spheres. The instrument consists of two-sphere collision device, collision charge measurement apparatus, and particles' trajectory tracking system. By using this instrument, we can investigate the collision contact electrification due to a single collision between two spheres and simultaneously record the moving trajectories of spheres after the collision to calculate the rebound angles to identify the contribution of the triboelectrification due to the rubbing between the contact surfaces and the collision contact electrification due to the normal pressure between the contact surfaces.

  11. An instrument for charge measurement due to a single collision between two spherical particles.

    PubMed

    Xie, L; Bao, N; Jiang, Y; Han, K; Zhou, J

    2016-01-01

    It universally exists in moving particular systems that particles can be electrified, in which the particles are chemically identical, just as toner particles, coal dust, and pharmaceutical powders. However, owing to the limit of experimental instruments, so far, there are yet no experiments to illustrate whether a particle can be electrified due to a single collision between two spherical particles, and there are also no experiments to measure the charge carried by a single particle due to a single collision between two particles. So we have developed an instrument for charge measurement due to a single collision between two spheres. The instrument consists of two-sphere collision device, collision charge measurement apparatus, and particles' trajectory tracking system. By using this instrument, we can investigate the collision contact electrification due to a single collision between two spheres and simultaneously record the moving trajectories of spheres after the collision to calculate the rebound angles to identify the contribution of the triboelectrification due to the rubbing between the contact surfaces and the collision contact electrification due to the normal pressure between the contact surfaces. PMID:26827339

  12. Real-time collision avoidance manipulator transfer movements

    NASA Technical Reports Server (NTRS)

    Chen, N.; Dwyer, T. A. W., III

    1987-01-01

    Collision free robot manipulator maneuvers for transferring a payload from one location to another in the presence of obstacles are discussed. Such maneuvers are executed by means of two algorithms running in parallel. The first algorithm performs an on-line, one step ahead acceleration optimization, with an adaptive N-step ahead precaution measure to prevent overshooting the specified forbidden joint coordinates. The second algorithm, an on-line planning algorithm, at the same time, selects the current target state and the current forbidden joint coordinates for the first algorithm. Since the task is a point to point transfer movement, the problem is dealt in robot joint space directly and the kinematic problem can be bypassed completely. A simulation example using a 2 degree-of-freedom planner robot is given.

  13. Rovibrationally selected ion-molecule collision study using the molecular beam vacuum ultraviolet laser pulsed field ionization-photoion method: charge transfer reaction of N2(+)(X 2Σg+; v+ = 0-2; N+ = 0-9) + Ar.

    PubMed

    Chang, Yih Chung; Xu, Yuntao; Lu, Zhou; Xu, Hong; Ng, C Y

    2012-09-14

    We have developed an ion-molecule reaction apparatus for state-selected absolute total cross section measurements by implementing a high-resolution molecular beam vacuum ultraviolet (VUV) laser pulsed field ionization-photoion (PFI-PI) ion source to a double-quadrupole double-octopole ion-guide mass spectrometer. Using the total cross section measurement of the state-selected N(2)(+)(v(+), N(+)) + Ar charge transfer (CT) reaction as an example, we describe in detail the design of the VUV laser PFI-PI ion source used, which has made possible the preparation of reactant N(2)(+)(X (2)Σ(g)(+), v(+) = 0-2, N(+) = 0-9) PFI-PIs with high quantum state purity, high intensity, and high kinetic energy resolution. The PFI-PIs and prompt ions produced in the ion source are shown to have different kinetic energies, allowing the clean rejection of prompt ions from the PFI-PI beam by applying a retarding potential barrier upstream of the PFI-PI source. By optimizing the width and amplitude of the pulsed electric fields employed to the VUV-PFI-PI source, we show that the reactant N(2)(+) PFI-PI beam can be formed with a laboratory kinetic energy resolution of ΔE(lab) = ± 50 meV. As a result, the total cross section measurement can be conducted at center-of-mass kinetic energies (E(cm)'s) down to thermal energies. Absolute total rovibrationally selected cross sections σ(v(+) = 0-2, N(+) = 0-9) for the N(2)(+)(X (2)Σ(g)(+); v(+) = 0-2, N(+) = 0-9) + Ar CT reaction have been measured in the E(cm) range of 0.04-10.0 eV, revealing strong vibrational enhancements and E(cm)-dependencies of σ(v(+) = 0-2, N(+) = 0-9). The thermochemical threshold at E(cm) = 0.179 eV for the formation of Ar(+) from N(2)(+)(X; v(+) = 0, N(+)) + Ar was observed by the measured σ(v(+) = 0), confirming the narrow ΔE(cm) spread achieved in the present study. The σ(v(+) = 0-2; N(+)) values obtained here are compared with previous experimental and theoretical results. The theoretical predictions

  14. Improved Charge-Transfer Fluorescent Dyes

    NASA Technical Reports Server (NTRS)

    Meador, Michael

    2005-01-01

    Improved charge-transfer fluorescent dyes have been developed for use as molecular probes. These dyes are based on benzofuran nuclei with attached phenyl groups substituted with, variously, electron donors, electron acceptors, or combinations of donors and acceptors. Optionally, these dyes could be incorporated as parts of polymer backbones or as pendant groups or attached to certain surfaces via self-assembly-based methods. These dyes exhibit high fluorescence quantum yields -- ranging from 0.2 to 0.98, depending upon solvents and chemical structures. The wavelengths, quantum yields, intensities, and lifetimes of the fluorescence emitted by these dyes vary with (and, hence, can be used as indicators of) the polarities of solvents in which they are dissolved: In solvents of increasing polarity, fluorescence spectra shift to longer wavelengths, fluorescence quantum yields decrease, and fluorescence lifetimes increase. The wavelengths, quantum yields, intensities, and lifetimes are also expected to be sensitive to viscosities and/or glass-transition temperatures. Some chemical species -- especially amines, amino acids, and metal ions -- quench the fluorescence of these dyes, with consequent reductions in intensities, quantum yields, and lifetimes. As a result, the dyes can be used to detect these species. Another useful characteristic of these dyes is a capability for both two-photon and one-photon absorption. Typically, these dyes absorb single photons in the ultraviolet region of the spectrum (wavelengths < 400 nm) and emit photons in the long-wavelength ultraviolet, visible, and, when dissolved in some solvents, near-infrared regions. In addition, these dyes can be excited by two-photon absorption at near-infrared wavelengths (600 to 800 nm) to produce fluorescence spectra identical to those obtained in response to excitation by single photons at half the corresponding wavelengths (300 to 400 nm). While many prior fluorescent dyes exhibit high quantum yields

  15. Charge Transfer and Catalysis at the Metal Support Interface

    SciTech Connect

    Baker, Lawrence Robert

    2012-07-31

    Kinetic, electronic, and spectroscopic characterization of model Pt–support systems are used to demonstrate the relationship between charge transfer and catalytic activity and selectivity. The results show that charge flow controls the activity and selectivity of supported metal catalysts. This dissertation builds on extensive existing knowledge of metal–support interactions in heterogeneous catalysis. The results show the prominent role of charge transfer at catalytic interfaces to determine catalytic activity and selectivity. Further, this research demonstrates the possibility of selectively driving catalytic chemistry by controlling charge flow and presents solid-state devices and doped supports as novel methods for obtaining electronic control over catalytic reaction kinetics.

  16. Charge transfer and emergent phenomena of oxide heterostructures

    NASA Astrophysics Data System (ADS)

    Chen, Hanghui

    Charge transfer is a common phenomenon at oxide interfaces. We use first-principles calculations to show that via heterostructuring of transition metal oxides, the electronegativity difference between two dissimilar transition metal ions can lead to high level of charge transfer and induce substantial redistribution of electrons and ions. Notable examples include i) enhancing correlation effects and inducing a metal-insulator transition; ii) tailoring magnetic structures and inducing interfacial ferromagnetism; iii) engineering orbital splitting and inducing a non-cuprate single-orbital Fermi surface. Utilizing charge transfer to induce emergent electronic/magnetic/orbital properties at oxide interfaces is a robust approach. Combining charge transfer with quantum confinement and expitaxial strain provides an appealing prospect of engineering electronic structure of artificial oxide heterostructures. This research was supported by National Science Foundation under Grant No. DMR-1120296.

  17. Charge transfer induced activity of graphene for oxygen reduction

    NASA Astrophysics Data System (ADS)

    Shen, Anli; Xia, Weijun; Zhang, Lipeng; Dou, Shuo; Xia, Zhenhai; Wang, Shuangyin

    2016-05-01

    Tetracyanoethylene (TCNE), with its strong electron-accepting ability, was used to dope graphene as a metal-free electrocatalyst for the oxygen reduction reaction (ORR). The charge transfer process was observed from graphene to TCNE by x-ray photoelectron spectroscopy and Raman characterizations. Our density functional theory calculations found that the charge transfer behavior led to an enhancement of the electrocatalytic activity for the ORR.

  18. Femtochemistry of Intramolecular Charge and Proton Transfer Reactions in Solution

    SciTech Connect

    Douhal, Abderrazzak; Sanz, Mikel; Carranza, Maria Angeles; Organero, Juan Angel; Tormo, Laura

    2005-03-17

    We report on the first observation of ultrafast intramolecular charge- and proton-transfer reactions in 4'-dimethylaminoflavonol (DAMF) in solution. Upon femtosecond excitation of a non-planar structure of DMAF in apolar medium, the intramolecular charge transfer (ICT) does not occur, and a slow (2 ps) proton motion takes place. However, in polar solvents, the ICT is very fast (100-200 fs) and the produced structure is stabilized that proton motion takes place in few or tens of ps.

  19. Screen charge transfer by grounded tip on ferroelectric surfaces.

    SciTech Connect

    Kim, Y.; Kim, J.; Buhlmann, S.; Hong, S.; Kim, Y. K.; Kim, S.-H.; No, K.; Materials Science Division; Korea Advanced Inst. of Science and Technology; Samsung Advanced Inst. of Technology; Inostek Inc.

    2008-03-01

    We have investigated polarization reversal and charge transfer effects by a grounded tip on 50 nm thick ferroelectric thin films using piezoelectric force microscopy and Kelvin force microscopy. We observed the polarization reversal in the center of written domains, and also identified another mechanism, which is the transfer of screen charges toward the grounded tip. In order to overcome these phenomena, we successfully applied a modified read/write scheme featuring a bias voltage.

  20. Charge-transfer gap and superexchange interaction in insulating cuprates

    SciTech Connect

    Ohta, Y.; Tohyama, T.; Maekawa, S. )

    1991-03-04

    A cluster-model analysis is made on the material dependence of the optical charge-transfer gap and antiferromagnetic superexchange interaction of a variety of insulating cuprates. It is shown that the electronic structure of cuprates typically of the charge-transfer type is characterized by the unique energy-level separation that reflects the three dimensionality of the crystal via the long-range Madelung potential; such characteristics are absent in the Mott-Hubbard regime.

  1. Single-collision studies of energy transfer and chemical reaction

    SciTech Connect

    Valentini, J.J.

    1993-12-01

    The research focus in this group is state-to-state dynamics of reaction and energy transfer in collisions of free radicals such as H, OH, and CH{sub 3} with H{sub 2}, alkanes, alcohols and other hydrogen-containing molecules. The motivation for the work is the desire to provide a detailed understanding of the chemical dynamics of prototype reactions that are important in the production and utilization of energy sources, most importantly in combustion. The work is primarily experimental, but with an important and growing theoretical/computational component. The focus of this research program is now on reactions in which at least one of the reactants and one of the products is polyatomic. The objective is to determine how the high dimensionality of the reactants and products differentiates such reactions from atom + diatom reactions of the same kinematics and energetics. The experiments use highly time-resolved laser spectroscopic methods to prepare reactant states and analyze the states of the products on a single-collision time scale. The primary spectroscopic tool for product state analysis is coherent anti-Stokes Raman scattering (CARS) spectroscopy. CARS is used because of its generality and because the extraction of quantum state populations from CARS spectra is straightforward. The combination of the generality and easy analysis of CARS makes possible absolute cross section measurements (both state-to-state and total), a particularly valuable capability for characterizing reactive and inelastic collisions. Reactant free radicals are produced by laser photolysis of appropriate precursors. For reactant vibrational excitation stimulated Raman techniques are being developed and implemented.

  2. Mass and charge transfer in the heavy ion reactions 208Ni and 208Ni

    NASA Astrophysics Data System (ADS)

    Sapotta, K.; Bass, R.; Hartmann, V.; Noll, H.; Renfordt, R. E.; Stelzer, K.

    1985-04-01

    Target-like reaction products corresponding to the transfer of one or several nucleons have been measured as a function of the total kinetic energy loss in the reactions 208Ni (1215 MeV) and 208Ni (1107 MeV) with a focusing time-of-flight spectrometer which provided a unique mass and charge separation and good energy resolution. The analysis of the experimental data covered the range from elastic scattering to deep-inelastic collisions. In the quasielastic region, neutron transfer dominates. The transfer probabilities as a function of the distance of closest approach can be described by a semiclassical theory of tunneling. Quasielastic transfer from the Ni targets to the 208Pb projectile is strongly inhibited by the reaction Q values. For the intermediate and deep-inelastic collisions, the mean values and variances of the mass and charge distributions as a function of the dissipated energy, as well as the correlations between neutron and proton transport, are discussed in a statistical diffusion theory. The important influence of the static potential energy surface on nucleon transport in the deep-inelastic region is demonstrated. Deviations from the simple diffusion model, observed at small to medium energy losses, are discussed.

  3. Charge exchange and ionization in hydrogen atom-fully stripped ion collisions in Debye plasmas

    SciTech Connect

    Zhang, H.; Wang, J. G.; He, B.; Qiu, Y. B.; Janev, R. K.

    2007-05-15

    The processes of charge exchange and ionization in collisions of ground state hydrogen atom with fully stripped ions in a weakly coupled plasma are studied by the classical trajectory Monte Carlo method in the collision energy range 10-900 keV/amu. The interparticle interactions are described by the Debye-Hueckel model with inclusion of dynamical effects associated with the projectile velocity. The microcanonical distribution of initial state electronic coordinates and momenta has been determined by inclusion of plasma screening effects. The cross section dependencies on plasma parameters and ion charge and velocity are investigated. It is shown that plasma effects on charge exchange and ionization cross sections are significant and particularly pronounced at low collision velocities. The results of systematic cross section calculations for different values of Debye screening length (in the range 1-50a{sub 0}) and ion charges (in the range 1-14) are presented.

  4. Charged Particle Multiplicity and Open Heavy Flavor Physics in Relativistic Heavy Ion Collisions at the LHC

    NASA Astrophysics Data System (ADS)

    Chen, Yujiao

    In this thesis, two independent measurements are presented: the measurements of centrality dependence and pseudo-rapidity dependence of charged particle multiplicities, and the measurements of centrality dependence of open heavy flavor suppression. These measurements are carried out with the Pb+Pb collisions data at the LHC energy sNN = 2.76 TeV with the ATLAS detector. For the charged particle measurements, charged particles are reconstructed with two algorithms (2-point "tracklet" and full tracking) from the pixel detector only. Measurements are presented of the per-event charged particle density distribution, dNch /deta and the average charged particle multiplicity in the pseudo-rapidity interval |eta| <0.5 in several intervals of collision centrality. The results are compared to previous mid-rapidity measurements at the LHC and RHIC. The variation of the mid-rapidity charged particle yield per colliding nucleon pair with the number of participants is consistent with the lower sNN results measured at RHIC. The shape of the dNch/deta distribution is found to be independent of centrality within the systematic uncertainties of the measurement. For the open heavy flavor suppression measurements, muons identified by the muon spectrometer are classified as heavy flavor decays and background contributions by using a fitting procedure with templates from Monte Carlo samples. Results are presented for the per-event muon yield as a function of muon transverse momentum, p T, over the range of 4 < pT < 14 GeV. Over that momentum range single muon production results largely from heavy quark decays. The centrality dependence of the muon yields is characterized by the "central to peripheral" ratio, RCP. Using this measure, muon production from heavy quark decays is found to be suppressed by a centrality-dependent factor that increases smoothly from peripheral to central collisions. Muon production is suppressed by approximately a factor of two in central collisions relative to

  5. INTRAMOLECULAR CHARGE AND ENERGY TRANSFER IN MULTICHROMOPHORIC AROMATIC SYSTEMS

    SciTech Connect

    Edward C. Lim

    2008-09-09

    A concerted experimental and computational study of energy transfer in nucleic acid bases and charge transfer in dialkylaminobenzonitriles, and related electron donor-acceptor molecules, indicate that the ultrafast photoprocesses occur through three-state conical interactions involving an intermediate state of biradical character.

  6. Resonance charge exchange between excited states in slow proton-hydrogen collisions

    SciTech Connect

    Tolstikhina, Inga Yu.; Kato, Daiji

    2010-09-15

    The theory of resonance charge exchange in slow collisions of a proton with a hydrogen atom in the excited state is developed. It extends the Firsov-Demkov theory of resonance charge exchange to the case of degenerate initial and final states. The theory is illustrated by semiclassical and quantum calculations of charge exchange cross sections between states with n=2 in parabolic and spherical coordinates. The results are compared with existing close-coupling calculations.

  7. Charge Transfer Dynamics from Photoexcited Semiconductor Quantum Dots.

    PubMed

    Zhu, Haiming; Yang, Ye; Wu, Kaifeng; Lian, Tianquan

    2016-05-27

    Understanding photoinduced charge transfer from nanomaterials is essential to the many applications of these materials. This review summarizes recent progress in understanding charge transfer from quantum dots (QDs), an ideal model system for investigating fundamental charge transfer properties of low-dimensional quantum-confined nanomaterials. We first discuss charge transfer from QDs to weakly coupled acceptors within the framework of Marcus nonadiabatic electron transfer (ET) theory, focusing on the dependence of ET rates on reorganization energy, electronic coupling, and driving force. Because of the strong electron-hole interaction, we show that ET from QDs should be described by the Auger-assisted ET model, which is significantly different from ET between molecules or from bulk semiconductor electrodes. For strongly quantum-confined QDs on semiconductor surfaces, the coupling can fall within the strong coupling limit, in which case the donor-acceptor interaction and ET properties can be described by the Newns-Anderson model of chemisorption. We also briefly discuss recent progress in controlling charge transfer properties in quantum-confined nanoheterostructures through wavefunction engineering and multiple exciton dissociation. Finally, we identify a few key areas for further research. PMID:27215815

  8. Charge Transfer Dynamics from Photoexcited Semiconductor Quantum Dots

    NASA Astrophysics Data System (ADS)

    Zhu, Haiming; Yang, Ye; Wu, Kaifeng; Lian, Tianquan

    2016-05-01

    Understanding photoinduced charge transfer from nanomaterials is essential to the many applications of these materials. This review summarizes recent progress in understanding charge transfer from quantum dots (QDs), an ideal model system for investigating fundamental charge transfer properties of low-dimensional quantum-confined nanomaterials. We first discuss charge transfer from QDs to weakly coupled acceptors within the framework of Marcus nonadiabatic electron transfer (ET) theory, focusing on the dependence of ET rates on reorganization energy, electronic coupling, and driving force. Because of the strong electron-hole interaction, we show that ET from QDs should be described by the Auger-assisted ET model, which is significantly different from ET between molecules or from bulk semiconductor electrodes. For strongly quantum-confined QDs on semiconductor surfaces, the coupling can fall within the strong coupling limit, in which case the donor-acceptor interaction and ET properties can be described by the Newns-Anderson model of chemisorption. We also briefly discuss recent progress in controlling charge transfer properties in quantum-confined nanoheterostructures through wavefunction engineering and multiple exciton dissociation. Finally, we identify a few key areas for further research.

  9. State-selective charge transfer in ion-ion interactions at intermediate and high energies

    NASA Astrophysics Data System (ADS)

    Samanta, R.; Purkait, M.; Mandal, C. R.

    2010-12-01

    The total and state-selective cross sections for charge transfer in H++He+, He2++Li2+, He2++He+ and Li3++Li2+ collisions were calculated using the boundary corrected continuum intermediate state approximation with an energy range of 30-2000 keV amu-1. In this model, distortion in the final channel related to the Coulomb continuum states of the projectile ion and the electron in the field of the residual target is included. The sub-shell distribution of total charge transfer cross section has been reported in tabular form. Comparison of the results is made with those of other recent theoretical investigations and experimental findings. The present results are found to be in very good agreement with the available experimental findings.

  10. Cross sections for charge transfer between mercury ions and other metals

    NASA Technical Reports Server (NTRS)

    Vroom, D. A.; Rutherford, J. A.

    1977-01-01

    Cross sections for charge transfer between several ions and metals of interest to the NASA electro propulsion program have been measured. Specifically, the ions considered were Hg(+), Xe(+) and Cs(+) and the metals Mo, Fe, Al, Ti, Ta, and C. Measurements were made in the energy regime from 1 to 5,000 eV. In general, the cross sections for charge transfer were found to be less than 10 to the minus 15 power sq cm for most processes over the total energy range. Exceptions are Hg(+) in collision with Ti and Ta. The results obtained for each reaction are given in both graphical and numerical form in the text. For quick reference, the data at several ion velocities are condensed into one table given in the summary.

  11. Low-energy charge transfer between C5+ and atomic hydrogen

    SciTech Connect

    Draganic, Ilija N; Havener, Charles C; Seely, D. G.

    2011-01-01

    Charge transfer with carbon ions has been identified as important in both magnetic fusion plasma devices and, more recently, in solar wind interactions with comets, planets, or neutrals in the heliosphere. A merged-beams technique is used to measure the absolute total charge-transfer cross section for C{sup 5+} and atomic H over four orders of magnitude in collision energy, from 12,000 to 0.64 eV/u. The present measurements are compared with previous measurements using an atomic hydrogen target and benchmark available classical trajectory Monte Carlo and molecular-orbital close-coupling calculations. An observed increasing cross section below 10 eV/u is attributed to trajectory effects due to the ion-induced dipole attraction between reactants.

  12. Low Energy Charge Transfer between C5+ and Atomic Hydrogen

    SciTech Connect

    Draganic, Ilija N; Seely, D. G.; Havener, Charles C

    2011-01-01

    Charge transfer (CT) with carbon ions has been identified for a long time as important in both magnetic fusion plasma devices and more recently in solar wind interactions with comets, planets, or neutrals in the heliosphere. A merged-beams technique is used to measure the absolute total charge transfer cross section for C5+ and atomic H over four orders of magnitude in collision energy, from 12,000 eV/u to 0.64 eV/u. The present measurements are compared with previous measurements using an atomic hydrogen target and benchmark available classical trajectory Monte-Carlo and molecular-orbital close-coupling calculations. An increasing cross section below 10 eV/u is attributed to trajectory effects due to the ion-induced dipole attraction between reactants.

  13. Theoretical investigation of electron transfer and detachment processes in low energy H- + Li and Li- + H collisions

    NASA Astrophysics Data System (ADS)

    Wu, Y.; Lin, X. H.; Yan, B.; Wang, J. G.; Janev, R. K.

    2016-02-01

    The charge exchange and collisional detachment processes in H- + Li and Li- + H collisions have been studied by using the quantal molecular orbital close-coupling (QMOCC) method in the energy ranges of about 0.12-1000 eV u-1 and 0.1 meV-1000 eV, respectively, and the inelastic collision cross sections and rate coefficients have been computed and presented. It is found that the electron transfer process in the H- + Li and Li- + H collisions is due to the Demkov coupling between the 12Σ+ and 22Σ+ states at internuclear distances of about 15a0. The collisional electron detachment in the considered collision system is due to the excitation of the remaining six states, which are all unstable against autodetachment. These states are populated through a series of Landau-Zener couplings of the 22Σ+ state with upper 2Σ+ states and by the rotational 2Σ+-2Π couplings at small internuclear distances. The cross sections for electron transfer in H- + Li and Li- + H collisions in the energy range of 10-1000 eV u-1 attain values in the range of 10-16-10-15 cm2 (reaching their maximum values of about 5 × 10-15 cm2 at 500-600 eV u-1), while the values of the corresponding electron detachment cross sections in this energy range attain generally smaller values.

  14. Coherent ultrafast charge transfer in an organic photovoltaic blend.

    PubMed

    Falke, Sarah Maria; Rozzi, Carlo Andrea; Brida, Daniele; Maiuri, Margherita; Amato, Michele; Sommer, Ephraim; De Sio, Antonietta; Rubio, Angel; Cerullo, Giulio; Molinari, Elisa; Lienau, Christoph

    2014-05-30

    Blends of conjugated polymers and fullerene derivatives are prototype systems for organic photovoltaic devices. The primary charge-generation mechanism involves a light-induced ultrafast electron transfer from the light-absorbing and electron-donating polymer to the fullerene electron acceptor. Here, we elucidate the initial quantum dynamics of this process. Experimentally, we observed coherent vibrational motion of the fullerene moiety after impulsive optical excitation of the polymer donor. Comparison with first-principle theoretical simulations evidences coherent electron transfer between donor and acceptor and oscillations of the transferred charge with a 25-femtosecond period matching that of the observed vibrational modes. Our results show that coherent vibronic coupling between electronic and nuclear degrees of freedom is of key importance in triggering charge delocalization and transfer in a noncovalently bound reference system. PMID:24876491

  15. Electronic excitation and charge transfer processes in collisions of H{sup +}, H{sub 2}{sup +}, and H{sub 3}{sup +} ions with carbon monoxide at typical solar-wind velocities

    SciTech Connect

    Werbowy, S.; Pranszke, B.

    2014-01-10

    Luminescence in the 200-580 nm spectral region was observed in the collisions of H{sup +}, H{sub 2}{sup +}, and H{sub 3}{sup +} with CO in the 50-1000 eV projectile energy range. Using computer simulations, we have identified emission of the following products in the observed spectra: the CO{sup +}(A-X) comet-tail system, CO{sup +}(B-X) first negative system, CO{sup +}(B-A) Baldet-Johnson system, and CO(b-a) third positive system. Also, an emission from atomic hydrogen (H{sub β} line at 486nm) has been observed. From the analysis of the experimental spectra, we have determined the absolute emission cross-sections for the formation of the observed products. Computer simulations gave the excited-product population distributions over vibrational and rotational energy levels. The vibrational level distribution from the CO{sup +}(A-X) comet-tail system is compared with the data for CO excited by 100 eV electrons and extreme ultraviolet radiation (XUV) photons. We have used these data to analyze the excitation conditions in the comet Humason (1961e). From the vibrational population distributions observed in the comet, we found that this distribution can be reproduced if electrons produce 25%, protons 70%, and XUV photons produce 5% of the emitting molecules. We find that the ratio of the CO{sup +}(B-X) emission to the sum of two main emissions (CO{sup +}(A-X)+CO{sup +}(B-X)) is velocity dependent and does not depend on the projectile ion type. For small velocities (below 100 km s{sup –1}) the ratio is about 5%, while for higher velocities it increases to 30%. For these data, we have found an empirical formula that satisfactorily describes the experimental data: R = R {sub max}(1 – v {sub th}/v), (where R {sub max} = 33%, v {sub th} = 87 km s{sup –1}). This could be used to infer the velocity of ions producing the observed emission of CO{sup +} products.

  16. Rotational And Rovibrational Energy Transfer In Electron Collisions With Molecules

    NASA Technical Reports Server (NTRS)

    Thuemmel, Helmar T.; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    Air flows around a hypervelocity reentry vehicle undergo dissociation, rovibrational excitation and ionization. More specifically the air, initially 80% N2 and 20% O2, in the shock layer consists of species such as N, O, N2, O2, NO, N+, O+, N+, O+, NO+ and 2 free electrons. It was pointed out in multi temperature models'' that the temperature of the rotational energy modes and the gas-kinetic translational temperature are quickly equilibrated by a few collisions and rise rapidly to high temperatures as 50000K before falling off to equilibrium value of 10000K. Contrary, the electronic and vibrational temperatures state energy distributions remain low (less than 15000K) because of the slow equilibration. Electron vibrational energy transfer is thought to play a crucial role in such a ionizing flow regime since chemical reaction rates and dissociation depend strongly on the vibrational temperatures. Modeling of these flowfields in principle require the rovibrational excitation and de-excitation cross section data for average electron energies from threshold up to several eV (leV=11605.4 K). In this lecture we focus on theoretical description of rotational effects i.e. energy transfer of electrons to molecules such that the molecular rotational (vojo goes to voj) or vibrational and rotational (v(sub 0)j(sub 0) goes to vj) states are changed. Excitation and de-excitation of electronic states was discussed in a previous talk at this conference.

  17. Radiative charge-transfer lifetime of the excited state of (NaCa){sup +}

    SciTech Connect

    Makarov, Oleg P.; Cote, R.; Michels, H.; Smith, W.W.

    2003-04-01

    New experiments were proposed recently to investigate the regime of cold atomic and molecular ion-atom collision processes in a special hybrid neutral-atom-ion trap under high-vacuum conditions. We study the collisional cooling of laser precooled Ca{sup +} ions by ultracold Na atoms. Modeling this process requires knowledge of the radiative lifetime of the excited singlet A {sup 1}{sigma}{sup +} state of the (NaCa){sup +} molecular system. We calculate the rate coefficient for radiative charge transfer using a semiclassical approach. The dipole radial matrix elements between the ground and the excited states, and the potential curves were calculated using complete active space self-consistent field and Moeller-Plesset second-order perturbation theory with an extended Gaussian basis, 6-311+G (3df). The semiclassical charge-transfer rate coefficient was averaged over a thermal Maxwellian distribution. In addition, we also present elastic collision cross sections and the spin-exchange cross section. The rate coefficient for charge transfer was found to be 2.3x10{sup -16} cm{sup 3}/sec, while those for the elastic and spin-exchange cross sections were found to be several orders of magnitude higher (1.1x10{sup -8} cm{sup 3}/sec and 2.3x10{sup -9} cm{sup 3}/sec, respectively). This confirms our assumption that the milli-Kelvin regime of collisional cooling of calcium ions by sodium atoms is favorable with the respect to low loss of calcium ions due to the charge transfer.

  18. Imaging charge and energy transfer in molecules using free-electron lasers

    NASA Astrophysics Data System (ADS)

    Rudenko, Artem

    2014-05-01

    Charge and energy transfer reactions drive numerous important processes in physics, chemistry and biology, with applications ranging from X-ray astrophysics to artificial photosynthesis and molecular electronics. Experimentally, the central goal in studies of transfer phenomena is to trace the spatial localization of charge at a given time. Because of their element and site sensitivity, ultrafast X-rays provide a promising tool to address this goal. In this talk I will discuss several experiments where free-electron lasers were employed to study charge and energy transfer dynamics in fragmenting molecules. In a first example, we used intense, 70 femtosecond 1.5 keV pulses from the Linac Coherent Light Source (LCLS) to study distance dependence of electron transfer in laser-dissociated methyl iodide molecules. Inducing well-localized positive charge on the heavy iodine atom, we observe signature of electron transition from the separated methyl group up to the distances of 35 atomic units. In a complementary experiment, we studied charge exchange between two partners in a dissociating molecular iodine employing a pump-probe arrangement with two identical 90 eV pulses from the Free-Electron LASer in Hamburg (FLASH). In both cases, the effective spatial range of the electron transfer can be reasonably described by a classical over-the-barrier model developed for ion-atom collisions. Finally, I will discuss a time-resolved measurement on non-local relaxation mechanism based on a long-range energy transfer, the so-called interatomic Coulombic decay. This work was supported by Chemical Sciences, Geosciences, and Biosciences Division, Office of Basic Energy Sciences, Office of Science, US Department of Energy and by the Kansas NSF ``First Award'' program.

  19. Electron transfer, ionization, and excitation in collisions between protons and the ions N6+ and O7+

    NASA Astrophysics Data System (ADS)

    Winter, Thomas

    2016-05-01

    Coupled-state cross sections are being determined for electron transfer, ionization, and excitation in collisions between keV-energy protons and the hydrogenic ions N6+ and O7+, extending early and more recent work on the less highly charged target ions He+, Li2+, Be3+, B4+, and C5+. As in the more recent work, a basis of 60 Sturmians on each center is being used, and in a second calculation, a basis of 280 Sturmians on the target nucleus and a single 1 s function on the proton is being used. The extent to which high-energy scaling rules with target nuclear charge Z are valid is being examined further for transfer to the ground state, total transfer, and ionization, as well as for excitation and individual-state processes at intermediate energies near where the cross sections peak.

  20. Charged hadron transverse momentum distributions in Au+Au collisions at S=200 GeV

    NASA Astrophysics Data System (ADS)

    Roland, Christof; PHOBOS Collaboration; Back, B. B.; Baker, M. D.; Barton, D. S.; Betts, R. R.; Ballintijn, M.; Bickley, A. A.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Decowski, M. P.; García, E.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Heintzelman, G. A.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; McLeod, D.; Michałowski, J.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Skulski, W.; Steadman, S. G.; Steinberg, P.; Stephans, G. S. F.; Stodulski, M.; Sukhanov, A.; Tang, J.-L.; Teng, R.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Wadsworth, B.; Wolfs, F. L. H.; Wosiek, B.; Woźniak, K.; Wuosmaa, A. H.; Wysłouch, B.

    2003-03-01

    We present transverse momentum distributions of charged hadrons produced in Au+Au collisions at sqrt(s_NN) = 200 GeV. The evolution of the spectra for transverse momenta p_T from 0.25 to 5GeV/c is studied as a function of collision centrality over a range from 65 to 344 participating nucleons. We find a significant change of the spectral shape between proton-antiproton and peripheral Au+Au collisions. Comparing peripheral to central Au+Au collisions, we find that the yields at the highest p_T exhibit approximate scaling with the number of participating nucleons, rather than scaling with the number of binary collisions.

  1. Determination of characteristic constants for some basic processes in plasma—diffusion, Penning ionization, asymmetric charge transfer

    NASA Astrophysics Data System (ADS)

    Temelkov, K. A.; Vuchkov, N. K.; Ekov, R. P.; Sabotinov, N. V.

    2008-05-01

    The diffusion coefficients of ten chemical element atoms in the binary system with helium and neon are calculated on the basis of 12-6 Lennard-Jones and rigid sphere inter-atomic interaction approximations. Cross-sections and rate constants for thermal energy charge transfer and Penning collisions are calculated for all Tl+ and I+ excited states possibly populated via these reactions. For the case of the charge transfer process the theoretical results are compared with the experimentally obtained ones. Since the characteristic constants considered depend on the gas temperature, the gas temperature distribution is also calculated by solving the heat conduction equation for the gas discharges studied.

  2. Nanohydration of uracil: emergence of three-dimensional structures and proton-induced charge transfer.

    PubMed

    Bacchus-Montabonel, Marie-Christine; Calvo, Florent

    2015-04-21

    Stepwise hydration of uracil has been theoretically revisited using different methods ranging from classical force fields to quantum chemical approaches. Hydration initially begins within the uracil plane but proceeds at four molecules into three-dimensional configurations or even water clusters next to the nucleobase. The relative stability between the various structures is significantly affected by zero-point energy and finite temperature (entropy) effects and also gives rise to markedly different responses to an excitation by an impinging high-energy proton. In particular, charge transfer to the molecular complex is dramatically altered in collisions toward the coating cluster but barely modified for peripheral hydration patterns. PMID:25793649

  3. Collision phenomena involving highly-charged ions in astronomical objects

    NASA Technical Reports Server (NTRS)

    Chutjian, A.

    2001-01-01

    A description of the role of highly charged ions in various astronomical objects; includes the use of critical quantities such as cross sections for excitation, charge-exchange, X-ray emission, radiative recombination (RR) and dielectronic recombination (DR); and lifetimes, branching ratios, and A-values.

  4. What Controls the Rate of Ultrafast Charge Transfer and Charge Separation Efficiency in Organic Photovoltaic Blends.

    PubMed

    Jakowetz, Andreas C; Böhm, Marcus L; Zhang, Jiangbin; Sadhanala, Aditya; Huettner, Sven; Bakulin, Artem A; Rao, Akshay; Friend, Richard H

    2016-09-14

    In solar energy harvesting devices based on molecular semiconductors, such as organic photovoltaics (OPVs) and artificial photosynthetic systems, Frenkel excitons must be dissociated via charge transfer at heterojunctions to yield free charges. What controls the rate and efficiency of charge transfer and charge separation is an important question, as it determines the overall power conversion efficiency (PCE) of these systems. In bulk heterojunctions between polymer donor and fullerene acceptors, which provide a model system to understand the fundamental dynamics of electron transfer in molecular systems, it has been established that the first step of photoinduced electron transfer can be fast, of order 100 fs. But here we report the first study which correlates differences in the electron transfer rate with electronic structure and morphology, achieved with sub-20 fs time resolution pump-probe spectroscopy. We vary both the fullerene substitution and donor/fullerene ratio which allow us to control both aggregate size and the energetic driving force for charge transfer. We observe a range of electron transfer times from polymer to fullerene, from 240 fs to as short as 37 fs. Using ultrafast electro-optical pump-push-photocurrent spectroscopy, we find the yield of free versus bound charges to be weakly dependent on the energetic driving force, but to be very strongly dependent on fullerene aggregate size and packing. Our results point toward the importance of state accessibility and charge delocalization and suggest that energetic offsets between donor and acceptor levels are not an important criterion for efficient charge generation. This provides design rules for next-generation materials to minimize losses related to driving energy and boost PCE. PMID:27538341

  5. Charge transfer in helium-rich supernova plasma

    NASA Technical Reports Server (NTRS)

    Swartz, Douglas A.

    1994-01-01

    Charge transfer rate coefficients are estimated using Landau-Zener and modified Demkov approximations. The coefficients, augmented by those available from the literature, are used in statistical equilibrium equations describing the state of helium-rich supernova plasma. Such a plasma may describe both Type Ib and Type Ic supernova ejecta. The hypothesis that extensive mixing of metals with helium in Type Ic supernovae may provide a catalyst for rapid charge transfer that weakens the helium line emission by altering the excitation balance is tested. It is shown that charge transfer as a mechanism for suppressing helium line emission is ineffective unless the metal abundance is comparable to or larger than the helium abundance. This result supports an earlier conclusion that Type Ic supernovae must be helium poor relative to Type Ib events.

  6. Direct experimental characterization of photoemission charge-transfer satellites

    NASA Astrophysics Data System (ADS)

    Weiland, Conan; Rumaiz, Abdul; Woicik, Joseph

    Energy-loss satellites in photoelectron spectroscopy often arise due to different charge-transfer states in condensed matter systems. The specific characterization of these satellites, however, has been controversial, and different theoretical approaches may lead to contradictory characterizations. Here we demonstrate the ability of high energy resonant photoelectron spectroscopy to provide direct experimental evidence of the nature of charge transfer satellites. Analysis of the Ti 1 s core line in SrTiO3 reveals two satellites, located approximately 5 eV and 13 eV lower kinetic energy than the main line. High energy resonant photoelectron spectroscopy reveals that these two peaks originate from ligand 2 p t2 g to metal 3 d t2 g and ligand 2 p eg to metal 3 d eg charge-transfer excitations.

  7. Charge transfer properties of pentacene adsorbed on silver: DFT study

    SciTech Connect

    N, Rekha T.; Rajkumar, Beulah J. M.

    2015-06-24

    Charge transfer properties of pentacene adsorbed on silver is investigated using DFT methods. Optimized geometry of pentacene after adsorption on silver indicates distortion in hexagonal structure of the ring close to the silver cluster and deviations in co-planarity of carbon atoms due to the variations in bond angles and dihedral angles. Theoretically simulated absorption spectrum has a symmetric surface plasmon resonance peak around 486nm corresponding to the transfer of charge from HOMO-2 to LUMO. Theoretical SERS confirms the process of adsorption, tilted orientation of pentacene on silver surface and the charge transfers reported. Localization of electron density arising from redistribution of electrostatic potential together with a reduced bandgap of pentacene after adsorption on silver suggests its utility in the design of electro active organic semiconducting devices.

  8. Dynamic salt effect on intramolecular charge-transfer reactions

    SciTech Connect

    Zhu Jianjun; Ma Rong; Lu Yan; Stell, George

    2005-12-08

    The dynamic salt effect in charge-transfer reactions is investigated theoretically in this paper. Free-energy surfaces are derived based on a nonequilibrium free-energy functional. Reaction coordinates are clearly defined. The solution of the reaction-diffusion equation leads to a rate constant depending on the time correlation function of the reaction coordinates. The time correlation function of the ion-atmosphere coordinate is derived from the solution of the Debye-Falkenhagen equation. It is shown that the dynamic salt effect plays an important role in controlling the rate of charge-transfer reactions in the narrow-window limit but is balanced by the energetics and the dynamics of the polar-solvent coordinate. The simplest version of the theory is compared with an experiment, and the agreement is fairly good. The theory can also be extended to charge-transfer in the class of electrolytes that has come to be called 'ionic fluids'.

  9. Ga Nanoparticle/Graphene Platforms: Plasmonic and Charge Transfer Interactions

    NASA Astrophysics Data System (ADS)

    Yi, Congwen; Kim, Tong-Ho; Yang, Yang; Losurdo, Maria; Brown, April S.

    2013-03-01

    Metal nanoparticle (NP) - graphene multifunctional platforms are of great interest for numerous applications, such as sensing and catalysis, and for fundamental studies on charge transfer and light-matter interactions. To understand platform-photon interactions, it is important to articulate the coupling of photon-based excitations, such as the interaction between plasmons in each of the material components, as well as their charge-based interactions dependent upon the energy alignment at the metal/graphene interface. Herein, we use liquid metal Ga nanoparticles, which can be deposited at 300K on graphene, to explore the surface-enhanced Raman spectroscopy modulation induced by the NPs,. The localized charge transfer between Ga NPs and graphene are investigated, and enhancement of the graphene Raman modes is correlated with metal coverage the transfer of electrons from Ga to graphene creating local regions of enhanced electron concentration which modify the electron-phonon interaction in graphene.

  10. Multiple-charge transfer and trapping in DNA dimers

    NASA Astrophysics Data System (ADS)

    Tornow, Sabine; Bulla, Ralf; Anders, Frithjof B.; Zwicknagl, Gertrud

    2010-11-01

    We investigate the charge transfer characteristics of one and two excess charges in a DNA base-pair dimer using a model Hamiltonian approach. The electron part comprises diagonal and off-diagonal Coulomb matrix elements such a correlated hopping and the bond-bond interaction, which were recently calculated by Starikov [E. B. Starikov, Philos. Mag. Lett. 83, 699 (2003)10.1080/0950083031000151374] for different DNA dimers. The electronic degrees of freedom are coupled to an ohmic or a superohmic bath serving as dissipative environment. We employ the numerical renormalization group method in the nuclear tunneling regime and compare the results to Marcus theory for the thermal activation regime. For realistic parameters, the rate that at least one charge is transferred from the donor to the acceptor in the subspace of two excess electrons significantly exceeds the rate in the single charge sector. Moreover, the dynamics is strongly influenced by the Coulomb matrix elements. We find sequential and pair transfer as well as a regime where both charges remain self-trapped. The transfer rate reaches its maximum when the difference of the on-site and intersite Coulomb matrix element is equal to the reorganization energy which is the case in a guanine/cytosine (GC)-dimer. Charge transfer is completely suppressed for two excess electrons in adenine/thymine (AT)-dimer in an ohmic bath and replaced by damped coherent electron-pair oscillations in a superohmic bath. A finite bond-bond interaction W alters the transfer rate: it increases as function of W when the effective Coulomb repulsion exceeds the reorganization energy (inverted regime) and decreases for smaller Coulomb repulsion.

  11. Localized charged-neutral fluctuations in 158A GeV Pb+Pb collisions

    SciTech Connect

    Aggarwal, M. M.; Agnihotri, A.; Ahammed, Z.; Angelis, A. L. S.; Antonenko, V.; Arefiev, V.; Astakhov, V.; Avdeitchikov, V.; Awes, T. C.; Baba, P. V. K. S.

    2001-07-01

    Localized fluctuations in the multiplicity of charged particles and photons produced in central 158A GeV/c Pb+Pb collisions are studied. The charged versus neutral correlations in common {eta}-{phi} phase space regions of varying azimuthal size are analyzed by two different methods. The analysis provides a model-independent demonstration of nonstatistical fluctuations in both charged particle and photon multiplicities in limited azimuthal regions. However, no correlated charge-neutral fluctuations are observed, contrary to expectations for the production of a disoriented chiral condensate. The result is not explained by the widely used VENUS model.

  12. Dielectric spectroscopy on organic charge-transfer salts.

    PubMed

    Lunkenheimer, P; Loidl, A

    2015-09-23

    This topical review provides an overview of the dielectric properties of a variety of organic charge-transfer salts, based on both, data reported in literature and our own experimental results. Moreover, we discuss in detail the different processes that can contribute to the dielectric response of these materials. We concentrate on the family of the 1D (TMTTF)2 X systems and the 2D BEDT-TTF-based charge-transfer salts, which in recent years have attracted considerable interest due to their often intriguing dielectric properties. We will mainly focus on the occurrence of electronic ferroelectricity in these systems, which also includes examples of multiferroicity. PMID:26325011

  13. Bioexcimers as Precursors of Charge Transfer and Reactivity in Photobiology

    NASA Astrophysics Data System (ADS)

    Serrano-Andrés, Luis; Merchán, Manuela; Roca-Sanjuán, Daniel; Olaso-González, Gloria; Rubio, Mercedes

    2007-11-01

    Accurate CASPT2//CASSCF calculations show that π-stacked interactions in different biochromophores such as DNA nucleobases or porphyrin-quinone pairs yield excimer-like situations which behave as precursors of processes like charge transfer or photoreactivity. Examples are the transfer of charge between a reduced pheophytin and an accepting quinone molecule, process that trigger the sequence of electron transfer phenomena in photosynthetic photosystem II, the electron transfer between adjacent DNA nucleobases in a strand of oligonucleotides, and the photodimerization taking place in cytosine pairs leading to cyclobutanecytosine mutants. These processes take place through nonadiabatic photochemical mechanisms whose evolution is determined by the presence and accessibility of conical intersections and other surface crossings between different electronic states.

  14. Bioexcimers as Precursors of Charge Transfer and Reactivity in Photobiology

    SciTech Connect

    Serrano-Andres, Luis; Merchan, Manuela; Roca-Sanjuan, Daniel; Olaso-Gonzalez, Gloria; Rubio, Mercedes

    2007-11-29

    Accurate CASPT2//CASSCF calculations show that {pi}-stacked interactions in different biochromophores such as DNA nucleobases or porphyrin-quinone pairs yield excimer-like situations which behave as precursors of processes like charge transfer or photoreactivity. Examples are the transfer of charge between a reduced pheophytin and an accepting quinone molecule, process that trigger the sequence of electron transfer phenomena in photosynthetic photosystem II, the electron transfer between adjacent DNA nucleobases in a strand of oligonucleotides, and the photodimerization taking place in cytosine pairs leading to cyclobutanecytosine mutants. These processes take place through nonadiabatic photochemical mechanisms whose evolution is determined by the presence and accessibility of conical intersections and other surface crossings between different electronic states.

  15. Energy and charge state dependences of transfer ionization to single capture ratio for fast multiply charged ions on helium

    NASA Astrophysics Data System (ADS)

    Unal, Ridvan

    The charge state and energy dependences of Transfer Ionization (TI) and Single Capture (SC) processes in collisions of multiply charged ions with He from intermediate to high velocities are investigated using coincident recoil ion momentum spectroscopy. The collision chamber is commissioned on the 15-degree port of a switching magnet, which allows the delivery of a beam with very little impurity. The target was provided from a supersonic He jet with a two-stage collimation. The two-stage, geometrically cooled, supersonic He jet has significantly reduced background contribution to the spectrum compared to a single stage He jet. In the case of a differentially pumped gas cell complex calculations based on assumptions for the correction due to the collisions with the contaminant beam led to corrections, which were up to 50%. The new setup allows one to make a direct separation of contaminant processes in the experimental data using the longitudinal momentum spectra. Furthermore, this correction is much smaller (about 8.8%) yielding better overall precision. The collision systems reported here are 1 MeV/u O(4--8)+ , 0.5--2.5 MeV/u F(4--9)+, 2.0 MeV/u Ti 15,17,18+, 1.6--1.75 MeV/u Cu18,20+ and 0.25--0.5 MeV/u I(15--25)+ ions interacting with helium. We have determined the sTIsSC ratio for high velocity highly charged ions on He at velocities in the range of 6 to 10 au and observed that the ratio is monotonically decreasing with velocity. Furthermore, we see a ratio that follows a q2 dependence up to approximately q = 9. Above q = 9 the experimental values exceed the q2 dependence prediction due to antiscreening. C. D. Lin and H. C. Tseng have performed coupled channel calculations for the energy dependence of TI and SC for F9+ + He and find values slightly higher than our measured values, but with approximately the same energy dependence. The new data, Si, Ti and Cu, go up only to q = 20 and show a smooth monotonically increasing TI/SC ratio. The TI/SC ratio for I (15

  16. UNIVERSAL BEHAVIOR OF CHARGED PARTICLE PRODUCTION IN HEAVY ION COLLISIONS AT RHIC ENERGIES.

    SciTech Connect

    STEINBERG,P.A.; FOR THE PHOBOS COLLABORATION

    2002-07-24

    The PHOBOS experiment at RHIC has measured the multiplicity of primary charged particles as a function of centrality and pseudorapidity in Au+Au collisions at {radical}(s{sub NN}) = 19.6, 130 and 200 GeV. Two observations indicate universal behavior of charged particle production in heavy ion collisions. The first is that forward particle production, over a range of energies, follows a universal limiting curve with a non-trivial centrality dependence. The second arises from comparisons with pp/{bar p}p and e{sup +}e{sup -} data. / in nuclear collisions at high energy scales with {radical}s in a similar way as N{sub ch} in e{sup +}e{sup -} collisions and has a very weak centrality dependence. These features may be related to a reduction in the leading particle effect due to the multiple collisions suffered per participant in heavy ion collisions.

  17. UNIVERSAL BEHAVIOR OF CHARGED PARTICLE PRODUCTION IN HEAVY ION COLLISIONS AT RHIC ENERGIES.

    SciTech Connect

    STEINBERG,P.A.FOR THE PHOBOS COLLABORATION

    2002-07-18

    The PHOBOS experiment at RHIC has measured the multiplicity of primary charged particles as a function of centrality and pseudorapidity in Au+Au collisions at {radical}(s{sub NN}) = 19.6, 130 and 200 GeV. Two kinds of universal behavior are observed in charged particle production in heavy ion collisions. The first is that forward particle production, over a range of energies, follows a universal limiting curve with a non-trivial centrality dependence. The second arises from comparisons with pp/{bar p}p and e{sup +}e{sup -} data. / in nuclear collisions at high energy scales with {radical}s in a similar way as N{sub ch} in e{sup +}e{sup -} collisions and has a very weak centrality dependence. This feature may be related to a reduction in the leading particle effect due to the multiple collisions suffered per participant in heavy ion collisions.

  18. UNIVERSAL BEHAVIOR OF CHARGED PARTICLE PRODUCTION IN HEAVY ION COLLISIONS AT RHIC ENERGIES.

    SciTech Connect

    STEINBERG,P.A.; FOR THE PHOBOS COLLABORATION

    2002-07-18

    The PHOBOS experiment at RHIC has measured the multiplicity of primary charged particles as a function of centrality and pseudorapidity in Au+Au collisions at {radical}(s{sub NN}) = 19.6, 130 and 200 GeV. Two observations indicate universal behavior of charged particle production in heavy ion collisions. The first is that forward particle production, over a range of energies, follows a universal limiting curve with a non-trivial centrality dependence. The second arises from comparisons with pp/{bar p}p and e{sup +}e{sup -} data. / in nuclear collisions at high energy scales with {radical}s in a similar way as N{sub ch} in e{sup +}e{sup -} collisions and has a very weak centrality dependence. These features may be related to a reduction in the leading particle effect due to the multiple collisions suffered per participant in heavy ion collisions.

  19. Bose—Einstein correlations of charged kaons in p + p collisions with the STAR detector

    NASA Astrophysics Data System (ADS)

    Nigmatkulov, Grigory

    2016-01-01

    We report the results of charged kaon Bose-Einstein Correlations (BEC) measured in proton- proton collisions at √s =200 and 510 GeV with the STAR detector at Relativistic Heavy Ion Collider (RHIC). The one-dimensional correlation functions are studied as a function of the charged particle multiplicity. The femtoscopic radii, R, and the correlation strength, λ, are extracted. The dependence of the source radii and the correlation strengths on the particle multiplicity are investigated.

  20. Atomic collision experiments utilizing low-velocity, highly-charged ion beams

    SciTech Connect

    Johnson, B.M.; Jones, K.W.; Meron, M.

    1982-01-01

    Intense beams of highly-stripped ions are now routinely produced at low velocities using the Brookhaven dual MP-tandens in a unique four-stage accel/decel mode. This mode of operation combines three stages of acceleration, stripping at high energy, and one stage of deceleration to near-zero velocity. To date, experiments have used 10-100 nA beams of bare and few-electron heavy ions at energies as low as 0.2 MeV/amu, and upgrades of the facility should push the lower limit below 0.1 MeV/amu. Recent experiments, such as measurements of charge transfer and x-ray production for S/sup 6-16+/ on He and Ar at 6 to 20 MeV and P(b) measurements for MO x-rays produced in Cl/sup 16 +/ + Ar collisions at 20, 10, and 5 MeV have demonstrated the usefulness of highly-stripped, low-velocity projectiles. These experiments and a few possibilities for future experiments are discussed.

  1. Two components in charged particle production in heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Bylinkin, A. A.; Chernyavskaya, N. S.; Rostovtsev, A. A.

    2016-02-01

    Transverse momentum spectra of charged particle production in heavy-ion collisions are considered in terms of a recently introduced Two Component parameterization combining exponential ("soft") and power-law ("hard") functional forms. The charged hadron densities calculated separately for them are plotted versus number of participating nucleons, Npart. The obtained dependences are discussed and the possible link between the two component parameterization introduced by the authors and the two component model historically used for the case of heavy-ion collisions is established. Next, the variations of the parameters of the introduced approach with the center of mass energy and centrality are studied using the available data from RHIC and LHC experiments. The spectra shapes are found to show universal dependences on Npart for all investigated collision energies.

  2. Transverse momentum dependence of inclusive primary charged-particle production in p-Pb collisions at

    NASA Astrophysics Data System (ADS)

    Abelev, B.; Adam, J.; Adamová, D.; Aggarwal, M. M.; Agnello, M.; Agostinelli, A.; Agrawal, N.; Ahammed, Z.; Ahmad, N.; Ahmed, I.; Ahn, S. U.; Ahn, S. A.; Aimo, I.; Aiola, S.; Ajaz, M.; Akindinov, A.; Alam, S. N.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Armesto, N.; Arnaldi, R.; Aronsson, T.; Arsene, I. C.; Arslandok, M.; Augustinus, A.; Averbeck, R.; Awes, T. C.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Baltasar Dos Santos Pedrosa, F.; Baral, R. C.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartke, J.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Baumann, C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bellwied, R.; Belmont-Moreno, E.; Belmont, R.; Belyaev, V.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Berger, M. E.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Bjelogrlic, S.; Blanco, F.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Bogolyubsky, M.; Böhmer, F. V.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Bossú, F.; Botje, M.; Botta, E.; Böttger, S.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Caffarri, D.; Cai, X.; Caines, H.; Calero Diaz, L.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Carena, F.; Carena, W.; Castillo Castellanos, J.; Casula, E. A. R.; Catanescu, V.; Cavicchioli, C.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Chang, B.; Chapeland, S.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chelnokov, V.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortese, P.; Cortés Maldonado, I.; Cosentino, M. R.; Costa, F.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dainese, A.; Dang, R.; Danu, A.; Das, D.; Das, I.; Das, K.; Das, S.; Dash, A.; Dash, S.; De, S.; Delagrange, H.; Deloff, A.; Dénes, E.; D'Erasmo, G.; De Caro, A.; de Cataldo, G.; de Cuveland, J.; De Falco, A.; De Gruttola, D.; De Marco, N.; De Pasquale, S.; de Rooij, R.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Di Bari, D.; Di Liberto, S.; Di Mauro, A.; Di Nezza, P.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Dørheim, S.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Dutta Majumdar, A. K.; Hilden, T. E.; Ehlers, R. J.; Elia, D.; Engel, H.; Erazmus, B.; Erdal, H. A.; Eschweiler, D.; Espagnon, B.; Esposito, M.; Estienne, M.; Esumi, S.; Evans, D.; Evdokimov, S.; Fabris, D.; Faivre, J.; Falchieri, D.; Fantoni, A.; Fasel, M.; Fehlker, D.; Feldkamp, L.; Felea, D.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Floratos, E.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Garishvili, I.; Gerhard, J.; Germain, M.; Gheata, A.; Gheata, M.; Ghidini, B.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Gladysz-Dziadus, E.; Glässel, P.; Gomez Ramirez, A.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Graczykowski, L. K.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Gronefeld, J. M.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Guilbaud, M.; Gulbrandsen, K.; Gulkanyan, H.; Gumbo, M.; Gunji, T.; Gupta, A.; Gupta, R.; Khan, K. H.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hanratty, L. D.

    2014-09-01

    The transverse momentum ($p_{\\mathrm T}$) distribution of primary charged particles is measured at midrapidity in minimum-bias p-Pb collisions at $\\sqrt{s_{\\mathrm{NN}}}=5.02$ TeV with the ALICE detector at the LHC in the range $0.15collision scaling of particle production in pp collisions, leading to a nuclear modification factor consistent with unity for $p_{\\mathrm T}$ larger than 2 GeV/$c$, with a weak indication of a Cronin-like enhancement for $p_{\\rm T}$ around 4 GeV/$c$. The measurement is compared to theoretical calculations and to data in Pb-Pb collisions at $\\sqrt{s_{\\mathrm{NN}}}=2.76$ TeV.

  3. Enhancing SERS by Means of Supramolecular Charge Transfer

    NASA Technical Reports Server (NTRS)

    Wong, Eric; Flood, Amar; Morales, Alfredo

    2009-01-01

    In a proposed method of sensing small quantities of molecules of interest, surface enhanced Raman scattering (SERS) spectroscopy would be further enhanced by means of intermolecular or supramolecular charge transfer. There is a very large potential market for sensors based on this method for rapid detection of chemical and biological hazards. In SERS, the Raman signals (vibrational spectra) of target molecules become enhanced by factors of the order of 108 when those molecules are in the vicinities of nanostructured substrate surfaces that have been engineered to have plasmon resonances that enhance local electric fields. SERS, as reported in several prior NASA Tech Briefs articles and elsewhere, has remained a research tool and has not yet been developed into a practical technique for sensing of target molecules: this is because the short range (5 to 20 nm) of the field enhancement necessitates engineering of receptor molecules to attract target molecules to the nanostructured substrate surfaces and to enable reliable identification of the target molecules in the presence of interferants. Intermolecular charge-transfer complexes have been used in fluorescence-, photoluminescence-, and electrochemistry-based techniques for sensing target molecules, but, until now, have not been considered for use in SERS-based sensing. The basic idea of the proposed method is to engineer receptor molecules that would be attached to nanostructured SERS substrates and that would interact with the target molecules to form receptor-target supramolecular charge-transfer complexes wherein the charge transfer could be photoexcited.

  4. Primary cells utilize halogen-organic charge transfer complex

    NASA Technical Reports Server (NTRS)

    Gutmann, F.; Hermann, A. M.; Rembaum, A.

    1966-01-01

    Electrochemical cells with solid state components employ charge transfer complexes or donor-acceptor complexes in which the donor component is an organic compound and the acceptor component is a halogen. A minor proportion of graphite added to these composition helps reduce the resistivity.

  5. Multifunctional Charge-Transfer Single Crystals through Supramolecular Assembly.

    PubMed

    Xu, Beibei; Luo, Zhipu; Wilson, Andrew J; Chen, Ke; Gao, Wenxiu; Yuan, Guoliang; Chopra, Harsh Deep; Chen, Xing; Willets, Katherine A; Dauter, Zbigniew; Ren, Shenqiang

    2016-07-01

    Centimeter-sized segregated stacking TTF-C60 single crystals are crystallized by a mass-transport approach combined with solvent-vapor evaporation for the first time. The intermolecular charge-transfer interaction in the long-range ordered superstructure enables the crystals to demonstrate external stimuli-controlled multifunctionalities and angle/electrical-potential-dependent luminescence. PMID:27146726

  6. Layered charge transfer complex cathodes or solid electrolyte cells

    SciTech Connect

    Louzos, D.V.

    1981-05-12

    Layered charge transfer complex cathodes for use in solid electrolyte cells are described wherein one layer of the cathode contains an electronic conductor which is isolated from the cell's solid electrolyte by a second layer of the cathode that does not contain an electronic conductor.

  7. Charge-transfer complexation between naphthalene diimides and aromatic solvents.

    PubMed

    Kulkarni, Chidambar; Periyasamy, Ganga; Balasubramanian, S; George, Subi J

    2014-07-28

    Naphthalene diimides (NDIs) form emissive ground-state charge-transfer (CT) complexes with various electron rich aromatic solvents like benzene, o-xylene and mesitylene. TD-DFT calculation of the complexes suggests CT interaction and accounts for the observed ground-state changes. PMID:24931833

  8. CORRELATING ELECTRONIC AND VIBRATIONAL MOTIONS IN CHARGE TRANSFER SYSTEMS

    SciTech Connect

    Khalil, Munira

    2014-06-27

    The goal of this research program was to measure coupled electronic and nuclear motions during photoinduced charge transfer processes in transition metal complexes by developing and using novel femtosecond spectroscopies. The scientific highlights and the resulting scientific publications from the DOE supported work are outlined in the technical report.

  9. Causal diffusion and the survival of charge fluctuations in nuclear collisions

    SciTech Connect

    Aziz, Mohamed Abdel; Gavin, Sean

    2004-09-01

    Diffusion may obliterate fluctuation signals of the QCD phase transition in nuclear collisions at SPS and RHIC energies. We propose a hyperbolic diffusion equation to study the dissipation of net charge fluctuations. This equation is needed in a relativistic context, because the classic parabolic diffusion equation violates causality. We find that causality substantially limits the extent to which diffusion can dissipate these fluctuations.

  10. Infrared Spectroscopy of Charge Transfer Complexes of Purines and Pyrimidines

    SciTech Connect

    Rathod, Pravinsinh I.; Oza, A. T.

    2011-10-20

    The FTIR spectra of charge transfer complexes of purines and pyrimidines with organic acceptors such as TCNQ, TCNE, DDQ, chloranil and iodine are obtained and studied in the present work. Adenine, guanine, thymine, cytosine and uracil are the purines and pyrimidines which are found as constituent of DNA and RNA. Charge transfer induced hydrogen bonding is concluded on the basis of indirect transitions observed in the infrared range in these CTCs. Some CTCs show gaussian bands revealing delocalization of charge carriers. The CTCs show interband transition in three-dimensions rather than two-dimensions unlike CTCs of amino acids. There is no extended hydrogen bonded network spanning the whole crystal. This leads to indirect transition due to locally deformed lattice furnishing a phonon-assisted transition.

  11. Observation of vibrationally resolved charge transfer in H + +H2 at ECM=20 eV

    NASA Astrophysics Data System (ADS)

    Niedner, G.; Noll, M.; Toennies, J. P.; Schlier, Ch.

    1987-09-01

    The doubly differential cross sections for both the scattered protons and H atoms have been measured at ELAB=30 eV (ECM=20 eV) from θLAB=0° to 12° (θCM=0° to 18°) for the reactions H++H2(v=0)→H++H2(vf) and →H+H+2(vf) . The energy resolution is sufficient to resolve final vibrational states in both channels. The comparison of both the angular and energy loss distributions for the two product channels provides the first clear experimental evidence of a two-step charge transfer mechanism: Vibrational excitation on the lower H++H2 surface is followed by charge transfer in the outgoing collision for only those H2 molecules which are excited vibrationally high enough (vf≥4) to overcome the endoergic barrier (ΔE=1.83 eV). The final vibrational distributions of H+2 appear to be very similar to those of H2 for vf≥4 indicating that for the angular range observed the charge transfer probability is the same for all vibrational states with vf≥4. The comparison with classical trajectory surface hopping (TSH) calculations points to some disagreement which probably can be attributed to the potential surface used.

  12. An optical model description of momentum transfer in heavy ion collisions

    NASA Technical Reports Server (NTRS)

    Khan, F.; Khandelwal, G. S.; Townsend, Lawrence W.; Wilson, J. W.; Norbury, John W.

    1989-01-01

    An optical model description of momentum transfer in relativistic heavy ion collisions, based upon composite particle multiple scattering theory, is presented. The imaginary component of the complex momentum transfer, which comes from the absorptive part of the optical potential, is identified as the longitudinal momentum downshift of the projectile. Predictions of fragment momentum distribution observables are made and compared with experimental data. Use of the model as a tool for estimating collision impact parameters is discussed.

  13. Resonant charge transfer in H^- ions scattering off Si(100) surfaces

    NASA Astrophysics Data System (ADS)

    Obreshkov, Boyan; Thumm, Uwe

    2007-06-01

    We present numerical calculations on the one-electron charge exchange between an unreconstructed Si(100) surface and H^- ions that are incident at kinetic energies of 1 keV. The ground state electronic structure of the surface is derived within a self-consistent screened pseudopotential Thomas-Fermi method. Si crystal wave functions and energies of the electron states that this potential holds are calculated by solving one-particle Schr"odinger equations. Resonant charge transfer ion-surface couplings are derived, and Newns-Anderson model is solved within a self-energy method. The neutralization probability of the anion after the collision is calculated and compared with available experimental data of [1]. [1] M. Maazouz et al. Surf. Sci. 398, 49 (1998). Supported by NSF and the Division of Chemical Sciences, Office of BES, Office of Energy, US DOE.

  14. A tetrastable naphthalenediimide: anion induced charge transfer, single and double electron transfer for combinational logic gates.

    PubMed

    Ajayakumar, M R; Hundal, Geeta; Mukhopadhyay, Pritam

    2013-09-11

    Herein we demonstrate the formation of the first tetrastable naphthalenediimide (NDI, 1a) molecule having multiple distinctly readable outputs. Differential response of 1a to fluoride anions induces intramolecular charge transfer (ICT), single/double electron transfer (SET/DET) leading to a set of combinational logic gates for the first time with a NDI moiety. PMID:23752683

  15. Active pixel sensor with intra-pixel charge transfer

    NASA Technical Reports Server (NTRS)

    Fossum, Eric R. (Inventor); Mendis, Sunetra (Inventor); Kemeny, Sabrina E. (Inventor)

    2003-01-01

    An imaging device formed as a monolithic complementary metal oxide semiconductor integrated circuit in an industry standard complementary metal oxide semiconductor process, the integrated circuit including a focal plane array of pixel cells, each one of the cells including a photogate overlying the substrate for accumulating photo-generated charge in an underlying portion of the substrate, a readout circuit including at least an output field effect transistor formed in the substrate, and a charge coupled device section formed on the substrate adjacent the photogate having a sensing node connected to the output transistor and at least one charge coupled device stage for transferring charge from the underlying portion of the substrate to the sensing node.

  16. Active pixel sensor with intra-pixel charge transfer

    NASA Technical Reports Server (NTRS)

    Fossum, Eric R. (Inventor); Mendis, Sunetra (Inventor); Kemeny, Sabrina E. (Inventor)

    2004-01-01

    An imaging device formed as a monolithic complementary metal oxide semiconductor integrated circuit in an industry standard complementary metal oxide semiconductor process, the integrated circuit including a focal plane array of pixel cells, each one of the cells including a photogate overlying the substrate for accumulating photo-generated charge in an underlying portion of the substrate, a readout circuit including at least an output field effect transistor formed in the substrate, and a charge coupled device section formed on the substrate adjacent the photogate having a sensing node connected to the output transistor and at least one charge coupled device stage for transferring charge from the underlying portion of the substrate to the sensing node.

  17. A Gating Charge Transfer Center in Voltage Sensors

    SciTech Connect

    Tao, X.; Lee, A; Limapichat, W; Dougherty, D; MacKinnon, R

    2010-01-01

    Voltage sensors regulate the conformations of voltage-dependent ion channels and enzymes. Their nearly switchlike response as a function of membrane voltage comes from the movement of positively charged amino acids, arginine or lysine, across the membrane field. We used mutations with natural and unnatural amino acids, electrophysiological recordings, and x-ray crystallography to identify a charge transfer center in voltage sensors that facilitates this movement. This center consists of a rigid cyclic 'cap' and two negatively charged amino acids to interact with a positive charge. Specific mutations induce a preference for lysine relative to arginine. By placing lysine at specific locations, the voltage sensor can be stabilized in different conformations, which enables a dissection of voltage sensor movements and their relation to ion channel opening.

  18. Active pixel sensor with intra-pixel charge transfer

    NASA Technical Reports Server (NTRS)

    Fossum, Eric R. (Inventor); Mendis, Sunetra (Inventor); Kemeny, Sabrina E. (Inventor)

    1995-01-01

    An imaging device formed as a monolithic complementary metal oxide semiconductor integrated circuit in an industry standard complementary metal oxide semiconductor process, the integrated circuit including a focal plane array of pixel cells, each one of the cells including a photogate overlying the substrate for accumulating photo-generated charge in an underlying portion of the substrate, a readout circuit including at least an output field effect transistor formed in the substrate, and a charge coupled device section formed on the substrate adjacent the photogate having a sensing node connected to the output transistor and at least one charge coupled device stage for transferring charge from the underlying portion of the substrate to the sensing node.

  19. A Gating Charge Transfer Center in Voltage Sensors

    PubMed Central

    Tao, Xiao; Lee, Alice; Limapichat, Walrati; Dougherty, Dennis A.; MacKinnon, Roderick

    2010-01-01

    Voltage sensors regulate the conformations of voltage-dependent ion channels and enzymes. Their nearly switch-like response as a function of membrane voltage comes from the movement of positively charged amino acids, arginine or lysine, across the membrane field. We used mutations with natural and unnatural amino acids, electrophysiological recordings and X-ray crystallography to identify a charge transfer center in voltage sensors that facilitates this movement. This center consists of a rigid cyclic ‘cap’ and two negatively charged amino acids to interact with a positive charge. Specific mutations induce a preference for lysine relative to arginine. By placing lysine at specific locations the voltage sensor can be stabilized in different conformations, thus enabling a dissection of voltage sensor movements and their relationship to ion channel opening. PMID:20360102

  20. Projectile charge state effects on electron emission in transfer ionization processes

    NASA Astrophysics Data System (ADS)

    Zhang, R. T.; Zhu, X. L.; Feng, W. T.; Guo, D. L.; Gao, Y.; Qian, D. B.; Li, B.; Yan, S. C.; Xu, S.; Zhang, P.; Ma, X.

    2015-07-01

    Electron emissions in transfer ionization processes were studied for 75 keV u-1 He2+, and 80 keV u-1 Ne8+on He collisions, using the well-developed reaction microscope techniques. Momentum distributions in the scattering plane, doubly differential distributions as a function of longitudinal momentum and emission angles of the ejected electrons were obtained. An apparent enhancement of electrons distributed around the projectile in the scattering plane was found for the Ne8+ incident case. Furthermore, we report the ratio of doubly differential distributions at the emission angle of 0° between these two transfer ionization processes, in which an abrupt rise is found at and above the electron capture to the continuum peak. This rise qualitatively agrees with the prediction within the framework of Dettmann’s theory. We conclude that this kind of enhancement was caused by the charge state effect of the projectile.

  1. Nuclear effects on the transverse momentum spectra of charged particles in pPb collisions at

    NASA Astrophysics Data System (ADS)

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V.; Vinogradov, A.; Belyaev, A.; Boos, E.; Demiyanov, A.; Ershov, A.; Gribushin, A.; Kodolova, O.; Korotkikh, V.; Lokhtin, I.; Obraztsov, S.; Petrushanko, S.; Savrin, V.; Snigirev, A.; Vardanyan, I.; Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.; Adzic, P.; Ekmedzic, M.; Milosevic, J.; Rekovic, V.; Alcaraz Maestre, J.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Domínguez Vázquez, D.; Escalante Del Valle, A.; Fernandez Bedoya, C.; Ramos, J. P. Fernández; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Navarro De Martino, E.; Yzquierdo, A. Pérez-Calero; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.; Albajar, C.; de Trocóniz, J. F.; Missiroli, M.; Moran, D.; Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Duarte Campderros, J.; Fernandez, M.; Gomez, G.; Graziano, A.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Piedra Gomez, J.; Rodrigo, T.; Rodríguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Vila, I.; Vilar Cortabitarte, R.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Benaglia, A.; Bendavid, J.; Benhabib, L.; Benitez, J. F.; Bernet, C.; Bloch, P.; Bocci, A.; Bonato, A.; Bondu, O.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Colafranceschi, S.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; David, A.; De Guio, F.; De Roeck, A.; De Visscher, S.; Di Marco, E.; Dobson, M.; Dordevic, M.; Dorney, B.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Franzoni, G.; Funk, W.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Glege, F.; Guida, R.; Gundacker, S.; Guthoff, M.; Hammer, J.; Hansen, M.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lourenço, C.; Magini, N.; Malgeri, L.; Mannelli, M.; Marrouche, J.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Morovic, S.; Mulders, M.; Orsini, L.; Pape, L.; Perez, E.; Perrozzi, L.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pimiä, M.; Piparo, D.; Plagge, M.; Racz, A.; Rolandi, G.; Rovere, M.; Sakulin, H.; Schäfer, C.; Schwick, C.; Sharma, A.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Steggemann, J.; Stieger, B.; Stoye, M.; Takahashi, Y.; Treille, D.; Tsirou, A.; Veres, G. I.; Wardle, N.; Wöhri, H. K.; Wollny, H.; Zeuner, W. D.; Bertl, W.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Kotlinski, D.; Langenegger, U.; Renker, D.; Rohe, T.; Bachmair, F.; Bäni, L.; Bianchini, L.; Buchmann, M. A.; Casal, B.; Chanon, N.; Dissertori, G.; Dittmar, M.; Donegà, M.; Dünser, M.; Eller, P.; Grab, C.; Hits, D.; Hoss, J.; Lustermann, W.; Mangano, B.; Marini, A. C.; Marionneau, M.; Martinez Ruiz del Arbol, P.; Masciovecchio, M.; Meister, D.; Mohr, N.; Musella, P.; Nägeli, C.; Nessi-Tedaldi, F.; Pandolfi, F.; Pauss, F.; Peruzzi, M.; Quittnat, M.; Rebane, L.; Rossini, M.; Starodumov, A.; Takahashi, M.; Theofilatos, K.; Wallny, R.; Weber, H. A.; Amsler, C.; Canelli, M. F.; Chiochia, V.; De Cosa, A.; Hinzmann, A.; Hreus, T.; Kilminster, B.; Lange, C.; Millan Mejias, B.; Ngadiuba, J.; Pinna, D.; Robmann, P.; Ronga, F. J.; Taroni, S.; Verzetti, M.; Yang, Y.; Cardaci, M.; Chen, K. H.; Ferro, C.; Kuo, C. M.; Lin, W.; Lu, Y. J.; Volpe, R.; Yu, S. S.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Grundler, U.; Hou, W.-S.; Kao, K. Y.; Liu, Y. F.; Lu, R.-S.; Majumder, D.; Petrakou, E.; Tzeng, Y. M.; Wilken, R.; Asavapibhop, B.; Singh, G.; Srimanobhas, N.; Suwonjandee, N.; Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Kayis Topaksu, A.; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sunar Cerci, D.; Tali, B.; Topakli, H.; Vergili, M.; Akin, I. V.; Bilin, B.; Bilmis, S.; Gamsizkan, H.; Isildak, B.; Karapinar, G.; Ocalan, K.; Sekmen, S.; Surat, U. E.; Yalvac, M.; Zeyrek, M.; Albayrak, E. A.; Gülmez, E.; Kaya, M.; Kaya, O.; Yetkin, T.; Cankocak, K.; Vardarlı, F. I.; Levchuk, L.; Sorokin, P.; Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Meng, Z.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Sakuma, T.; Senkin, S.; Smith, V. J.; Williams, T.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Womersley, W. J.; Worm, S. D.; Baber, M.; Bainbridge, R.; Buchmuller, O.; Burton, D.; Colling, D.; Cripps, N.; Dauncey, P.; Davies, G.; Della Negra, M.; Dunne, P.; Ferguson, W.; Fulcher, J.; Futyan, D.; Hall, G.; Iles, G.; Jarvis, M.; Karapostoli, G.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A.-M.; Malik, S.; Mathias, B.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Raymond, D. M.; Rogerson, S.; Rose, A.; Seez, C.; Sharp, P.; Tapper, A.; Vazquez Acosta, M.; Virdee, T.; Zenz, S. C.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.; Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Scarborough, T.; Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.; Avetisyan, A.; Bose, T.; Fantasia, C.; Lawson, P.; Richardson, C.; Rohlf, J.; St. John, J.; Sulak, L.; Alimena, J.; Berry, E.; Bhattacharya, S.; Christopher, G.; Cutts, D.; Demiragli, Z.; Dhingra, N.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Segala, M.; Sinthuprasith, T.; Speer, T.; Swanson, J.; Breedon, R.; Breto, G.; De La Barca Sanchez, M. Calderon; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Ko, W.; Lander, R.; Mulhearn, M.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Shalhout, S.; Smith, J.; Squires, M.; Stolp, D.; Tripathi, M.; Wilbur, S.; Yohay, R.; Cousins, R.; Everaerts, P.; Farrell, C.; Hauser, J.; Ignatenko, M.; Rakness, G.; Takasugi, E.; Valuev, V.; Weber, M.; Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Ivova Rikova, M.; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Luthra, A.; Malberti, M.; Negrete, M. Olmedo; Shrinivas, A.; Sumowidagdo, S.; Wimpenny, S.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Holzner, A.; Kelley, R.; Klein, D.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Palmer, C.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Tadel, M.; Tu, Y.; Vartak, A.; Welke, C.; Würthwein, F.; Yagil, A.; Barge, D.; Bradmiller-Feld, J.; Campagnari, C.; Danielson, T.; Dishaw, A.; Dutta, V.; Flowers, K.; Franco Sevilla, M.; Geffert, P.; George, C.; Golf, F.; Gouskos, L.; Incandela, J.; Justus, C.; Mccoll, N.; Richman, J.; Stuart, D.; To, W.; West, C.; Yoo, J.; Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Mott, A.; Newman, H. B.; Pena, C.; Pierini, M.; Spiropulu, M.; Vlimant, J. R.; Wilkinson, R.; Xie, S.; Zhu, R. Y.; Azzolini, V.; Calamba, A.; Carlson, B.; Ferguson, T.; Iiyama, Y.; Paulini, M.; Russ, J.; Vogel, H.; Vorobiev, I.; Cumalat, J. P.; Ford, W. T.; Gaz, A.; Krohn, M.; Luiggi Lopez, E.; Nauenberg, U.; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.; Alexander, J.; Chatterjee, A.; Chaves, J.; Chu, J.; Dittmer, S.; Eggert, N.; Mirman, N.; Nicolas Kaufman, G.; Patterson, J. R.; Ryd, A.; Salvati, E.; Skinnari, L.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Winstrom, L.; Wittich, P.; Winn, D.; Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Gottschalk, E.; Gray, L.; Green, D.; Grünendahl, S.; Gutsche, O.; Hanlon, J.; Hare, D.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Kaadze, K.; Klima, B.; Kreis, B.; Kwan, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Martinez Outschoorn, V. I.; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mishra, K.; Mrenna, S.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Sexton-Kennedy, E.; Sharma, S.; Soha, A.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitbeck, A.; Whitmore, J.; Yang, F.; Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Carver, M.; Curry, D.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Field, R. D.; Fisher, M.; Furic, I. K.; Hugon, J.; Konigsberg, J.; Korytov, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Mei, H.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Rinkevicius, A.; Shchutska, L.; Snowball, M.; Sperka, D.; Yelton, J.; Zakaria, M.; Hewamanage, S.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.; Adams, T.; Askew, A.; Bochenek, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.; Baarmand, M. M.; Hohlmann, M.; Kalakhety, H.; Yumiceva, F.; Adams, M. R.; Apanasevich, L.; Berry, D.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Kurt, P.; Moon, D. H.; O'Brien, C.; Sandoval Gonzalez, I. D.; Silkworth, C.; Turner, P.; Varelas, N.; Bilki, B.; Clarida, W.; Dilsiz, K.; Haytmyradov, M.; Merlo, J.-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Rahmat, R.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yi, K.; Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Swartz, M.; Baringer, P.; Bean, A.; Benelli, G.; Bruner, C.; Kenny, R. P.; Malek, M.; Murray, M.; Noonan, D.; Sanders, S.; Sekaric, J.; Stringer, R.; Wang, Q.; Wood, J. S.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Skhirtladze, N.; Svintradze, I.; Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.; Baden, A.; Belloni, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kolberg, T.; Lu, Y.; Mignerey, A. C.; Pedro, K.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.; Apyan, A.; Barbieri, R.; Bauer, G.; Busza, W.; Cali, I. A.; Chan, M.; Di Matteo, L.; Gomez Ceballos, G.; Goncharov, M.; Gulhan, D.; Klute, M.; Lai, Y. S.; Lee, Y.-J.; Levin, A.; Luckey, P. D.; Ma, T.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Stöckli, F.; Sumorok, K.; Velicanu, D.; Veverka, J.; Wyslouch, B.; Yang, M.; Zanetti, M.; Zhukova, V.; Dahmes, B.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Singovsky, A.; Tambe, N.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Gonzalez Suarez, R.; Keller, J.; Knowlton, D.; Kravchenko, I.; Lazo-Flores, J.; Meier, F.; Ratnikov, F.; Snow, G. R.; Zvada, M.; Dolen, J.; Godshalk, A.; Iashvili, I.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Trocino, D.; Wang, R. J.; Wood, D.; Zhang, J.; Hahn, K. A.; Kubik, A.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Velasco, M.; Won, S.; Brinkerhoff, A.; Chan, K. M.; Drozdetskiy, A.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Lynch, S.; Marinelli, N.; Musienko, Y.; Pearson, T.; Planer, M.; Ruchti, R.; Smith, G.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.; Antonelli, L.; Brinson, J.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hart, A.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Luo, W.; Puigh, D.; Rodenburg, M.; Winer, B. L.; Wolfe, H.; Wulsin, H. W.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Hunt, A.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroué, P.; Quan, X.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.; Brownson, E.; Malik, S.; Mendez, H.; Ramirez Vargas, J. E.; Barnes, V. E.; Benedetti, D.; Bortoletto, D.; De Mattia, M.; Gutay, L.; Hu, Z.; Jha, M. K.; Jones, M.; Jung, K.; Kress, M.; Leonardo, N.; Miller, D. H.; Neumeister, N.; Radburn-Smith, B. C.; Shi, X.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Zablocki, J.; Parashar, N.; Stupak, J.; Adair, A.; Akgun, B.; Ecklund, K. M.; Geurts, F. J. M.; Li, W.; Michlin, B.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.; Betchart, B.; Bodek, A.; Covarelli, R.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Khukhunaishvili, A.; Korjenevski, S.; Petrillo, G.; Vishnevskiy, D.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Mesropian, C.; Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Kaplan, S.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Salur, S.; Schnetzer, S.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Rose, K.; Spanier, S.; York, A.; Bouhali, O.; Castaneda Hernandez, A.; Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Khotilovich, V.; Krutelyov, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Perloff, A.; Roe, J.; Rose, A.; Safonov, A.; Suarez, I.; Tatarinov, A.; Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kovitanggoon, K.; Kunori, S.; Lee, S. W.; Libeiro, T.; Volobouev, I.; Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Johns, W.; Maguire, C.; Mao, Y.; Melo, A.; Sharma, M.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.; Arenton, M. W.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Lin, C.; Neu, C.; Wood, J.; Clarke, C.; Harr, R.; Karchin, P. E.; Kottachchi Kankanamge Don, C.; Lamichhane, P.; Sturdy, J.; Belknap, D. A.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Dodd, L.; Duric, S.; Friis, E.; Hall-Wilton, R.; Herndon, M.; Hervé, A.; Klabbers, P.; Lanaro, A.; Lazaridis, C.; Levine, A.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ross, I.; Sarangi, T.; Savin, A.; Smith, W. H.; Taylor, D.; Vuosalo, C.; Woods, N.

    2015-05-01

    Transverse momentum spectra of charged particles are measured by the CMS experiment at the CERN LHC in pPb collisions at , in the range and pseudorapidity in the proton-nucleon center-of-mass frame. For , the charged-particle production is asymmetric about , with smaller yield observed in the direction of the proton beam, qualitatively consistent with expectations from shadowing in nuclear parton distribution functions (nPDF). A pp reference spectrum at is obtained by interpolation from previous measurements at higher and lower center-of-mass energies. The distribution measured in pPb collisions shows an enhancement of charged particles with compared to expectations from the pp reference. The enhancement is larger than predicted by perturbative quantum chromodynamics calculations that include antishadowing modifications of nPDFs.

  2. Photoinduced charge and energy transfer in molecular wires.

    PubMed

    Gilbert, Mélina; Albinsson, Bo

    2015-02-21

    Exploring charge and energy transport in donor-bridge-acceptor systems is an important research field which is essential for the fundamental knowledge necessary to develop future applications. These studies help creating valuable knowledge to respond to today's challenges to develop functionalized molecular systems for artificial photosynthesis, photovoltaics or molecular scale electronics. This tutorial review focuses on photo-induced charge/energy transfer in covalently linked donor-bridge-acceptor (D-B-A) systems. Of utmost importance in such systems is to understand how to control signal transmission, i.e. how fast electrons or excitation energy could be transferred between the donor and acceptor and the role played by the bridge (the "molecular wire"). After a brief description of the electron and energy transfer theory, we aim to give a simple yet accurate picture of the complex role played by the bridge to sustain donor-acceptor electronic communication. Special emphasis is put on understanding bridge energetics and conformational dynamics effects on the distance dependence of the donor-acceptor electronic coupling and transfer rates. Several examples of donor-bridge-acceptor systems from the literature are described as a support to the discussion. Finally, porphyrin-based molecular wires are introduced, and the relationship between their electronic structure and photophysical properties is outlined. In strongly conjugated porphyrin systems, limitations of the existing electron transfer theory to interpret the distance dependence of the transfer rates are also discussed. PMID:25212903

  3. An electrostatic charge measurement of blowing snow particles focusing on collision frequency to the snow surface

    NASA Astrophysics Data System (ADS)

    Omiya, S.; Sato, A.

    2010-12-01

    Blowing snow particles are known to have an electrostatic charge. This charge may be a contributing factor in the formation of snow drifts and snow cornices and changing of the trajectory of blowing snow particles. These formations and phenomena can cause natural disaster such as an avalanche and a visibility deterioration, and obstruct transportation during winter season. Therefore, charging phenomenon of the blowing snow particles is an important issue in terms of not only precise understanding of the particle motion but disaster prevention. The primary factor of charge accumulation to the blowing snow particles is thought to be due to “saltation” of them. The “saltation” is one of movement forms of blowing snow: when the snow particles are transported by the wind, they repeat frictional collisions with the snow surface. In previous studies, charge-to-mass ratios measured in the field were approximately -50 to -10 μC/kg, and in the wind tunnel were approximately -0.8 to -0.1 μC/kg. While there were qualitatively consistent in sign, negative, there were huge gaps quantitatively between them. One reason of those gaps is speculated to be due to differences in fetch. In other words, the difference of the collision frequency of snow particles to the snow surface has caused the gaps. But it is merely a suggestion and that has not been confirmed. The purpose of this experiment is to measure the charge of blowing snow particles focusing on the collision frequency and clarify the relationship between them. Experiments were carried out in the cryogenic wind tunnel of Snow and Ice Research Center (NIED, JAPAN). A Faraday cage and an electrometer were used to measure the charge of snow particles. These experiments were conducted over the hard snow surface condition to prevent the erosion of the snow surface and the generation of new snow particles from the surface. The collision frequency of particle was controlled by changing the wind velocity (4.5 to 7 m/s) under

  4. Charge transfer through a cytochrome multiheme chain: theory and simulation.

    PubMed

    Burggraf, Fabian; Koslowski, Thorsten

    2014-01-01

    We study sequential charge transfer within a chain of four heme cofactors located in the c-type cytochrome subunit of the photoreaction center of Rhodopseudomonas viridis from a theoretical perspective. Molecular dynamics simulations of the thermodynamic integration type are used to compute two key energies of Marcus' theory of charge transfer, the driving force ∆G and the reorganization energy λ. Due to the small exposure of the cofactors to the solvent and to charged amino acids, the outer sphere contribution to the reorganization energy almost vanishes. Interheme effective electronic couplings are estimated using ab initio wave functions and a well-parameterized semiempirical scheme for long-range interactions. From the resulting charge transfer rates, we conclude that at most the two heme molecules closest to the membrane participate in a fast recharging of the photoreaction center, whereas the remaining hemes are likely to have a different function, such as intermediate electron storage. Finally, we suggest means to verify or falsify this hypothesis. PMID:24055674

  5. Charge-transfer crystallites as molecular electrical dopants

    PubMed Central

    Méndez, Henry; Heimel, Georg; Winkler, Stefanie; Frisch, Johannes; Opitz, Andreas; Sauer, Katrein; Wegner, Berthold; Oehzelt, Martin; Röthel, Christian; Duhm, Steffen; Többens, Daniel; Koch, Norbert; Salzmann, Ingo

    2015-01-01

    Ground-state integer charge transfer is commonly regarded as the basic mechanism of molecular electrical doping in both, conjugated polymers and oligomers. Here, we demonstrate that fundamentally different processes can occur in the two types of organic semiconductors instead. Using complementary experimental techniques supported by theory, we contrast a polythiophene, where molecular p-doping leads to integer charge transfer reportedly localized to one quaterthiophene backbone segment, to the quaterthiophene oligomer itself. Despite a comparable relative increase in conductivity, we observe only partial charge transfer for the latter. In contrast to the parent polymer, pronounced intermolecular frontier-orbital hybridization of oligomer and dopant in 1:1 mixed-stack co-crystallites leads to the emergence of empty electronic states within the energy gap of the surrounding quaterthiophene matrix. It is their Fermi–Dirac occupation that yields mobile charge carriers and, therefore, the co-crystallites—rather than individual acceptor molecules—should be regarded as the dopants in such systems. PMID:26440403

  6. Charge-transfer crystallites as molecular electrical dopants.

    PubMed

    Méndez, Henry; Heimel, Georg; Winkler, Stefanie; Frisch, Johannes; Opitz, Andreas; Sauer, Katrein; Wegner, Berthold; Oehzelt, Martin; Röthel, Christian; Duhm, Steffen; Többens, Daniel; Koch, Norbert; Salzmann, Ingo

    2015-01-01

    Ground-state integer charge transfer is commonly regarded as the basic mechanism of molecular electrical doping in both, conjugated polymers and oligomers. Here, we demonstrate that fundamentally different processes can occur in the two types of organic semiconductors instead. Using complementary experimental techniques supported by theory, we contrast a polythiophene, where molecular p-doping leads to integer charge transfer reportedly localized to one quaterthiophene backbone segment, to the quaterthiophene oligomer itself. Despite a comparable relative increase in conductivity, we observe only partial charge transfer for the latter. In contrast to the parent polymer, pronounced intermolecular frontier-orbital hybridization of oligomer and dopant in 1:1 mixed-stack co-crystallites leads to the emergence of empty electronic states within the energy gap of the surrounding quaterthiophene matrix. It is their Fermi-Dirac occupation that yields mobile charge carriers and, therefore, the co-crystallites-rather than individual acceptor molecules-should be regarded as the dopants in such systems. PMID:26440403

  7. Energy dependence of the transverse momentum distributions of charged particles in pp collisions measured by ALICE

    NASA Astrophysics Data System (ADS)

    Abelev, B.; Adam, J.; Adamová, D.; Adare, A. M.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agocs, A. G.; Agostinelli, A.; Ahammed, Z.; Ahmad, N.; Ahmad Masoodi, A.; Ahmed, I.; Ahn, S. A.; Ahn, S. U.; Aimo, I.; Aiola, S.; Ajaz, M.; Akindinov, A.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altini, V.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arbor, N.; Arcelli, S.; Armesto, N.; Arnaldi, R.; Aronsson, T.; Arsene, I. C.; Arslandok, M.; Augustinus, A.; Averbeck, R.; Awes, T. C.; Äystö, J.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bailhache, R.; Bala, R.; Baldisseri, A.; Baltasar Dos Santos Pedrosa, F.; Bán, J.; Baral, R. C.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartke, J.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batyunya, B.; Batzing, P. C.; Baumann, C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bellwied, R.; Belmont-Moreno, E.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bergognon, A. A. E.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhati, A. K.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Bjelogrlic, S.; Blanco, F.; Blanco, F.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Bogolyubsky, M.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Bornschein, J.; Botje, M.; Botta, E.; Böttger, S.; Braidot, E.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Brun, R.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Caffarri, D.; Cai, X.; Caines, H.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Canoa Roman, V.; Cara Romeo, G.; Carena, F.; Carena, W.; Carminati, F.; Casanova Díaz, A.; Castillo Castellanos, J.; Casula, E. A. R.; Catanescu, V.; Cavicchioli, C.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Chang, B.; Chapeland, S.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa del Valle, Z.; Connors, M. E.; Contin, G.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortese, P.; Cortés Maldonado, I.; Cosentino, M. R.; Costa, F.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dainese, A.; Dang, R.; Danu, A.; Das, K.; Das, D.; Das, I.; Dash, A.; Dash, S.; De, S.; Delagrange, H.; Deloff, A.; Dénes, E.; Deppman, A.; de Barros, G. O. V.; De Caro, A.; de Cataldo, G.; de Cuveland, J.; De Falco, A.; De Gruttola, D.; De Marco, N.; De Pasquale, S.; de Rooij, R.; Diaz Corchero, M. A.; Dietel, T.; Divià, R.; Di Bari, D.; Di Giglio, C.; Di Liberto, S.; Di Mauro, A.; Di Nezza, P.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Dönigus, B.; Dordic, O.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Dutta Majumdar, A. K.; D Erasmo, G.; Elia, D.; Emschermann, D.; Engel, H.; Erazmus, B.; Erdal, H. A.; Eschweiler, D.; Espagnon, B.; Estienne, M.; Esumi, S.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabris, D.; Faivre, J.; Falchieri, D.; Fantoni, A.; Fasel, M.; Fehlker, D.; Feldkamp, L.; Felea, D.; Feliciello, A.; Feofilov, G.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Floratos, E.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Garishvili, I.; Gerhard, J.; Germain, M.; Gheata, A.; Gheata, M.; Ghidini, B.; Ghosh, P.; Gianotti, P.; Giubellino, P.; Gladysz-Dziadus, E.; Glässel, P.; Goerlich, L.; Gomez, R.; González-Zamora, P.; Gorbunov, S.; Gotovac, S.; Graczykowski, L. K.; Grajcarek, R.; Grelli, A.; Grigoras, C.; Grigoras, A.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Guilbaud, M.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Khan, K. H.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hanratty, L. D.; Hansen, A.

    2013-12-01

    Differential cross sections of charged particles in inelastic pp collisions as a function of p T have been measured at at the LHC. The p T spectra are compared to NLO-pQCD calculations. Though the differential cross section for an individual cannot be described by NLO-pQCD, the relative increase of cross section with is in agreement with NLO-pQCD. Based on these measurements and observations, procedures are discussed to construct pp reference spectra at up to p T=50 GeV/ c as required for the calculation of the nuclear modification factor in nucleus-nucleus and proton-nucleus collisions.

  8. Laboratory Studies of Thermal Energy Charge Transfer of Multiply Charged Ions in Astrophysical Plasmas

    NASA Technical Reports Server (NTRS)

    Kwong, Victor H. S.

    2003-01-01

    The laser ablation/ion storage facility at the UNLV Physics Department has been dedicated to the study of atomic and molecular processes in low temperature plasmas. Our program focuses on the charge transfer (electron capture) of multiply charged ions and neutrals important in astrophysics. The electron transfer reactions with atoms and molecules is crucial to the ionization condition of neutral rich photoionized plasmas. With the successful deployment of the Far Ultraviolet Spectroscopic Explorer (FUSE) and the Chandra X-ray Observatory by NASA high resolution VUV and X-ray emission spectra fiom various astrophysical objects have been collected. These spectra will be analyzed to determine the source of the emission and the chemical and physical environment of the source. The proper interpretation of these spectra will require complete knowledge of all the atomic processes in these plasmas. In a neutral rich environment, charge transfer can be the dominant process. The rate coefficients need to be known accurately. We have also extended our charge transfer measurements to KeV region with a pulsed ion beam. The inclusion of this facility into our current program provides flexibility in extending the measurement to higher energies (KeV) if needed. This flexibility enables us to address issues of immediate interest to the astrophysical community as new observations are made by high resolution space based observatories.

  9. Charge-transfer complexes of phenylephrine with nitrobenzene derivatives

    NASA Astrophysics Data System (ADS)

    El-Mossalamy, E. H.

    2004-04-01

    The molecular charge-transfer complexes of phenylephrine with picric acid and m-dinitrobenzene have been studied and investigated by IR, 1H NMR electronic spectra in organic solvents and buffer solutions, respectively. Simple and selective methods are proposed for the determination of phenylephrine hydrochloride in bulk form and in tablets. The two methods are based on the formation of charge-transfer complexes between drug base as a n-donor (D) and picric acid, m-dinitrobenzene as π-acceptor (A). The products exhibit absorption maxima at 497 and 560 nm in acetonitrile for picric acid and m-dinitrobenzene, respectively. The coloured product exhibits an absorption maximum at 650 nm in dioxane. The sensitive kinetic methods for the determination phynylephrine hydrochloride are described. The method is based upon a kinetic investigation of the oxidation reaction of the drug with alkaline potassium permanganate at room temperature for a fixed time at 20 min.

  10. Charge transfer and interface properties in inorganic superstructures and composites

    NASA Astrophysics Data System (ADS)

    Flyagina, I. S.; Petrov, A. A.; Pervov, V. S.

    2016-06-01

    The processes of charge transfer and electronic reconstruction at interfaces of inorganic superstructures and composites have not yet been adequately investigated. This review integrates and analyzes the results of theoretical and experimental studies of structural and electronic effects at interfaces of metal oxide or chalcogenide superstructures and composites. Charge transfer and, hence, change in interface properties compared to the properties of substructures are shown to be determined by the preparation method of composites and chemical nature of the superstructures, incommensurability of structural parameters and valence states of the constituent metals. The changes are maximal for nanoheterostructures, and the degree of change is related to electronic conductivity of substructures. The macroscopic properties of the composite materials depend on the amount of interfaces in their bulk. The bibliography includes 66 references.

  11. Charge transfer transitions within the octahedral uranate group

    NASA Astrophysics Data System (ADS)

    Bleijenberg, K. C.

    1980-07-01

    In this paper the excitation spectra of the luminescence of the octahedral uranate group (UO6-6) are presented for various uranium-doped compounds. The excitation bands have been assigned using the results of theoretical and experimental investigations into the spectroscopic properties of uranium hexafluoride which is isoelectronic with the octahedral uranate group. Charge transfer transitions from orbitals having mainly oxygen 2p character to orbitals having mainly uranium 5f charcter have been observed in the region 2.24-˜4 eV. Charge transfer transitions to orbitals having mainly uranium 6d character have been observed at 4.4 eV and at 5.4 eV.

  12. Negative ion-uranium hexafluoride charge transfer reactions

    NASA Astrophysics Data System (ADS)

    Streit, Gerald E.; Newton, T. W.

    1980-10-01

    The flowing afterglow technique has been used to study the process of charge transfer from selected negative ions (F-, Cl-, Br-, I-, SF6-) to UF6. The sole ionic product in all cases was observed to be UF6-. Data analysis was complicated by an unexpected coupling of chemical and diffusive ion loss processes when UF6- product ions were present. The rate coefficients for the charge transfer processes are (k in 10-9 cm3 molecule-1 s-1) F-, 1.3; Cl-, 1.1; Br-, 0.93; I-, 0.77; and SF6-, 0.69. The rate constants agree quite well with the classical Langevin predictions.

  13. Integrated Charge Transfer in Organic Ferroelectrics for Flexible Multisensing Materials.

    PubMed

    Xu, Beibei; Ren, Shenqiang

    2016-09-01

    The ultimate or end point of functional materials development is the realization of strong coupling between all energy regimes (optical, electronic, magnetic, and elastic), enabling the same material to be utilized for multifunctionalities. However, the integration of multifunctionalities in soft materials with the existence of various coupling is still in its early stage. Here, the coupling between ferroelectricity and charge transfer by combining bis(ethylenedithio)tetrathiafulvalene-C60 charge-transfer crystals with ferroelectric polyvinylidene fluoride polymer matrix is reported, which enables external stimuli-controlled polarization, optoelectronic and magnetic field sensing properties. Such flexible composite films also display a superior strain-dependent capacitance and resistance change with a giant piezoresistance coefficient of 7.89 × 10(-6) Pa(-1) . This mutual coupled material with the realization of enhanced couplings across these energy domains opens up the potential for multisensing applications. PMID:27378088

  14. Modelling charge transfer reactions with the frozen density embedding formalism

    SciTech Connect

    Pavanello, Michele; Neugebauer, Johannes

    2011-12-21

    The frozen density embedding (FDE) subsystem formulation of density-functional theory is a useful tool for studying charge transfer reactions. In this work charge-localized, diabatic states are generated directly with FDE and used to calculate electronic couplings of hole transfer reactions in two {pi}-stacked nucleobase dimers of B-DNA: 5{sup '}-GG-3{sup '} and 5{sup '}-GT-3{sup '}. The calculations rely on two assumptions: the two-state model, and a small differential overlap between donor and acceptor subsystem densities. The resulting electronic couplings agree well with benchmark values for those exchange-correlation functionals that contain a high percentage of exact exchange. Instead, when semilocal GGA functionals are used the electronic couplings are grossly overestimated.

  15. Charge transfer magnetoexciton formation at vertically coupled quantum dots.

    PubMed

    Gutiérrez, Willian; Marin, Jairo H; Mikhailov, Ilia D

    2012-01-01

    A theoretical investigation is presented on the properties of charge transfer excitons at vertically coupled semiconductor quantum dots in the presence of electric and magnetic fields directed along the growth axis. Such excitons should have two interesting characteristics: an extremely long lifetime and a permanent dipole moment. We show that wave functions and the low-lying energies of charge transfer exciton can be found exactly for a special morphology of quantum dots that provides a parabolic confinement inside the layers. To take into account a difference between confinement potentials of an actual structure and of our exactly solvable model, we use the Galerkin method. The density of energy states is calculated for different InAs/GaAs quantum dots' dimensions, the separation between layers, and the strength of the electric and magnetic fields. A possibility of a formation of a giant dipolar momentum under external electric field is predicted. PMID:23092373

  16. Charge transfer magnetoexciton formation at vertically coupled quantum dots

    PubMed Central

    2012-01-01

    A theoretical investigation is presented on the properties of charge transfer excitons at vertically coupled semiconductor quantum dots in the presence of electric and magnetic fields directed along the growth axis. Such excitons should have two interesting characteristics: an extremely long lifetime and a permanent dipole moment. We show that wave functions and the low-lying energies of charge transfer exciton can be found exactly for a special morphology of quantum dots that provides a parabolic confinement inside the layers. To take into account a difference between confinement potentials of an actual structure and of our exactly solvable model, we use the Galerkin method. The density of energy states is calculated for different InAs/GaAs quantum dots’ dimensions, the separation between layers, and the strength of the electric and magnetic fields. A possibility of a formation of a giant dipolar momentum under external electric field is predicted. PMID:23092373

  17. Charged hadron transverse momentum distributions in Au+Au collisions at √ SNN = 200 GeV

    NASA Astrophysics Data System (ADS)

    Back, B. B.; Baker, M. D.; Barton, D. S.; Betts, R. R.; Ballintijn, M.; Bickley, A. A.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Decowski, M. P.; García, E.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Heintzelman, G. A.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; McLeod, D.; Michałowski, J.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Skulski, W.; Steadman, S. G.; Steinberg, P.; Stephans, G. S. F.; Stodulski, M.; Sukhanov, A.; Tang, J.-L.; Teng, R.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Wadsworth, B.; Wolfs, F. L. H.; Wosiek, B.; Woźniak, K.; Wuosmaa, A. H.; Wysłouch, B.; van Nieuwenhuizen, Gerrit; PHOBOS Collaboration

    2003-04-01

    We present transverse momentum distributions of charged hadrons produced in Au+Au collisions at √ SNN = 200 GeV. The evolution of the spectra for transverse momenta p T from 0.25 to 5 GeV/C is studied as a function of collision centrality. We find a significant change of the spectral shape between proton-antiproton and peripheral Au+Au collisions. When comparing peripheral to central Au+Au collisions, we find that the yields at the highest p T exhibit approximate scaling with the number of participating nucleons, rather than scaling with the number of binary collisions.

  18. A model for energy transfer in collisions of atoms with highly excited molecules.

    PubMed

    Houston, Paul L; Conte, Riccardo; Bowman, Joel M

    2015-05-21

    A model for energy transfer in the collision between an atom and a highly excited target molecule has been developed on the basis of classical mechanics and turning point analysis. The predictions of the model have been tested against the results of trajectory calculations for collisions of five different target molecules with argon or helium under a variety of temperatures, collision energies, and initial rotational levels. The model predicts selected moments of the joint probability distribution, P(Jf,ΔE) with an R(2) ≈ 0.90. The calculation is efficient, in most cases taking less than one CPU-hour. The model provides several insights into the energy transfer process. The joint probability distribution is strongly dependent on rotational energy transfer and conservation laws and less dependent on vibrational energy transfer. There are two mechanisms for rotational excitation, one due to motion normal to the intermolecular potential and one due to motion tangential to it and perpendicular to the line of centers. Energy transfer is found to depend strongly on the intermolecular potential and only weakly on the intramolecular potential. Highly efficient collisions are a natural consequence of the energy transfer and arise due to collisions at "sweet spots" in the space of impact parameter and molecular orientation. PMID:25907301

  19. Charge-transfer-state photoluminescence in asymmetric coupled quantum wells

    NASA Astrophysics Data System (ADS)

    Norris, T. B.; Vodjdani, N.; Vinter, B.; Weisbuch, C.; Mourou, G. A.

    1989-07-01

    We have performed continuous and time-resolved photoluminescence experiments on novel double-quantum-well structures in Schottky diodes. We have directly observed the buildup of a charge-transfer (CT) state in which the electrons and holes are in separate wells because of the fact that they tunnel in opposite directions. We have studied the effect of an electric field on the CT state formation, and have observed a strong, linear Stark shift of the CT luminescence.

  20. Charge transfer and atomic-level pressure in metallic glasses

    SciTech Connect

    Ding, Jun; Cheng, Yongqiang

    2014-02-03

    This paper presents a systematic study on the charge transfer and ionicity in various metallic-glass forming systems, as well as its relationship with other atomic-level structure indicators, using the Bader analysis method and molecular dynamics simulation. It is shown that in a binary or multicomponent system, the chemical effects (when more than one elements present) appear to play a more important role in setting the absolute level of the atomic-level pressure, compared to the topological fluctuation.

  1. Interfacial Charge Transfer States in Condensed Phase Systems.

    PubMed

    Vandewal, Koen

    2016-05-27

    Intermolecular charge transfer (CT) states at the interface between electron-donating (D) and electron-accepting (A) materials in organic thin films are characterized by absorption and emission bands within the optical gap of the interfacing materials. CT states efficiently generate charge carriers for some D-A combinations, and others show high fluorescence quantum efficiencies. These properties are exploited in organic solar cells, photodetectors, and light-emitting diodes. This review summarizes experimental and theoretical work on the electronic structure and interfacial energy landscape at condensed matter D-A interfaces. Recent findings on photogeneration and recombination of free charge carriers via CT states are discussed, and relations between CT state properties and optoelectronic device parameters are clarified. PMID:26980308

  2. Charge Transfer Excitons at van der Waals Interfaces.

    PubMed

    Zhu, Xiaoyang; Monahan, Nicholas R; Gong, Zizhou; Zhu, Haiming; Williams, Kristopher W; Nelson, Cory A

    2015-07-01

    The van der Waals interfaces of molecular donor/acceptor or graphene-like two-dimensional (2D) semiconductors are central to concepts and emerging technologies of light-electricity interconversion. Examples include, among others, solar cells, photodetectors, and light emitting diodes. A salient feature in both types of van der Waals interfaces is the poorly screened Coulomb potential that can give rise to bound electron-hole pairs across the interface, i.e., charge transfer (CT) or interlayer excitons. Here we address common features of CT excitons at both types of interfaces. We emphasize the competition between localization and delocalization in ensuring efficient charge separation. At the molecular donor/acceptor interface, electronic delocalization in real space can dictate charge carrier separation. In contrast, at the 2D semiconductor heterojunction, delocalization in momentum space due to strong exciton binding may assist in parallel momentum conservation in CT exciton formation. PMID:26001297

  3. Interfacial Charge Transfer States in Condensed Phase Systems

    NASA Astrophysics Data System (ADS)

    Vandewal, Koen

    2016-05-01

    Intermolecular charge transfer (CT) states at the interface between electron-donating (D) and electron-accepting (A) materials in organic thin films are characterized by absorption and emission bands within the optical gap of the interfacing materials. CT states efficiently generate charge carriers for some D-A combinations, and others show high fluorescence quantum efficiencies. These properties are exploited in organic solar cells, photodetectors, and light-emitting diodes. This review summarizes experimental and theoretical work on the electronic structure and interfacial energy landscape at condensed matter D-A interfaces. Recent findings on photogeneration and recombination of free charge carriers via CT states are discussed, and relations between CT state properties and optoelectronic device parameters are clarified.

  4. Energy and charge transfer in ionized argon coated water clusters

    SciTech Connect

    Kočišek, J. E-mail: michal.farnik@jh-inst.cas.cz Lengyel, J.; Fárník, M. E-mail: michal.farnik@jh-inst.cas.cz; Slavíček, P. E-mail: michal.farnik@jh-inst.cas.cz

    2013-12-07

    We investigate the electron ionization of clusters generated in mixed Ar-water expansions. The electron energy dependent ion yields reveal the neutral cluster composition and structure: water clusters fully covered with the Ar solvation shell are formed under certain expansion conditions. The argon atoms shield the embedded (H{sub 2}O){sub n} clusters resulting in the ionization threshold above ≈15 eV for all fragments. The argon atoms also mediate more complex reactions in the clusters: e.g., the charge transfer between Ar{sup +} and water occurs above the threshold; at higher electron energies above ∼28 eV, an excitonic transfer process between Ar{sup +}* and water opens leading to new products Ar{sub n}H{sup +} and (H{sub 2}O){sub n}H{sup +}. On the other hand, the excitonic transfer from the neutral Ar* state at lower energies is not observed although this resonant process was demonstrated previously in a photoionization experiment. Doubly charged fragments (H{sub 2}O){sub n}H{sub 2}{sup 2+} and (H{sub 2}O){sub n}{sup 2+} ions are observed and Intermolecular Coulomb decay (ICD) processes are invoked to explain their thresholds. The Coulomb explosion of the doubly charged cluster formed within the ICD process is prevented by the stabilization effect of the argon solvent.

  5. Charge Transfer Models of Zinc and Magnesium in Water.

    PubMed

    Soniat, Marielle; Hartman, Lisa; Rick, Steven W

    2015-04-14

    Quantum mechanical studies point to the importance of polarization and charge transfer (CT) in zinc binding. A new CT force field is used to study these effects in ion-water dimers and in aqueous solution. Quantum mechanics calculations are carried out to determine amounts of CT. Models for zinc and magnesium are parametrized to reproduce solvation structure, hydration free energy, and CT properties. The new models are subjected to energy decomposition, in which the effects of polarization and CT are investigated. The importance of these multibody interactions in the liquid is also considered. We find that, for divalent cations, polarization and charge transfer both strongly affect binding to water. Though polarization increases the internal (self) energy of water and ions, this is more than compensated for by a stronger ion-water interaction energy. The direction of the charge transfer from the water to the cation weakens the ion-water interaction; this increase in energy is counteracted by a decrease in the system energy due to electron delocalization. PMID:26574375

  6. Molecular (Feshbach) treatment of charge exchange Li/sup 3 +/+He collisions. I. Energies and couplings

    SciTech Connect

    Martin, F.; Riera, A.; Yanez, M.

    1986-05-15

    We point out a fundamental difference between the molecular treatment of charge exchange X/sup n/++H(1s) and X/sup n/++He(1s/sup 2/) collisions, which is that the latter process involves molecular states that are formally autoionizing. Then standard ab initio methods do not, in general, yield the relevant wave functions that are needed in the collision treatment, irrespective of whether quasimolecular autoionization be significant or not during the collision. We implement a particularly simple and useful form of the Feshbach formalism to calculate the energies of those two electron systems, and a method to evaluate the corresponding dynamical couplings is presented for the first time. Our implementation of this formalism together with the new computational techniques involved are presented in detail.

  7. Theory of ultrafast heterogeneous electron transfer: Contributions of direct charge transfer excitations to the absorbance

    NASA Astrophysics Data System (ADS)

    Wang, Luxia; Willig, Frank; May, Volkhard

    2007-04-01

    Absorption spectra related to heterogeneous electron transfer are analyzed with the focus on direct charge transfer transition from the surface attached molecule into the semiconductor band states. The computations are based on a model of reduced dimensionality with a single intramolecular vibrational coordinate but a complete account for the continuum of conduction band states. The applicability of this model to perylene on TiO2 has been demonstrated in a series of earlier papers. Here, based on a time-dependent formulation, the absorbance is calculated with the inclusion of charge transfer excitations. A broad parameter set inspired by the perylene TiO2 systems is considered. In particular, the description generalizes the Fano effect to heterogeneous electron transfer reactions. Preliminary simulations of measured spectra are presented for perylene-catechol attached to TiO2.

  8. Information transfer in pilots' use of a collision avoidance system

    NASA Technical Reports Server (NTRS)

    Chappell, Sheryl L.; Scott, Barry C.; Billings, Charles E.

    1987-01-01

    A flight simulator study of pilots' use of the Traffic-alert and Collision Avoidance System is described. Three levels of information on the location of other air traffic were presented to different groups of airline pilots. The amount of informtion on the location of other traffic had little effect on pilots' performance of the maneuvers commanded by the collision avoidance system. Measured crew responses were similar with no presentation of traffic location, with limited information, and with continuous traffic information. No learning effects were observed, and differences in flight experience did not contribute to the performance difference found.

  9. Quantum information transfer between topological and conventional charge qubits

    NASA Astrophysics Data System (ADS)

    Jun, Li; Yan, Zou

    2016-02-01

    We propose a scheme to realize coherent quantum information transfer between topological and conventional charge qubits. We first consider a hybrid system where a quantum dot (QD) is tunnel-coupled to a semiconductor Majorana-hosted nanowire (MNW) via using gated control as a switch, the information encoded in the superposition state of electron empty and occupied state can be transferred to each other through choosing the proper interaction time to make measurements. Then we consider another system including a double QDs and a pair of parallel MNWs, it is shown that the entanglement information transfer can be realized between the two kinds of systems. We also realize long distance quantum information transfer between two quantum dots separated by an MNW, by making use of the nonlocal fermionic level formed with the pared Majorana feimions (MFs) emerging at the two ends of the MNW. Furthermore, we analyze the teleportationlike electron transfer phenomenon predicted by Tewari et al. [Phys. Rev. Lett. 100, 027001 (2008)] in our considered system. Interestingly, we find that this phenomenon exactly corresponds to the case that the information encoded in one QD just returns back to its original place during the dynamical evolution of the combined system from the perspective of quantum state transfer. Project supported by the National Natural Science Foundation of China (Grant No. 11304031).

  10. Fragmentation of amino acids induced by collisions with low-energy highly charged ions

    NASA Astrophysics Data System (ADS)

    Piekarski, D. G.; Maclot, S.; Domaracka, A.; Adoui, L.; Alcamí, M.; Rousseau, P.; Díaz-Tendero, S.; Huber, B. A.; Martín, F.

    2014-04-01

    Fragmentation of amino acids NH2-(CH2)n-COOH (n=1 glycine; n=2 β-alanine and n=3 γ-aminobutyric acid GABA) following collisions with slow highly charged ions has been studied in the gas phase by a combined experimental and theoretical approach. In the experiments, a multi-coincidence detection method was used to deduce the charge state of the molecules before fragmentation. Quantum chemistry calculations have been carried out in the basis of the density functional theory and ab initio molecular dynamics. The combination of both methodologies is essential to unambiguously unravel the different fragmentation pathways.

  11. Nanocontact electrification: patterned surface charges affecting adhesion, transfer, and printing.

    PubMed

    Cole, Jesse J; Barry, Chad R; Knuesel, Robert J; Wang, Xinyu; Jacobs, Heiko O

    2011-06-01

    Contact electrification creates an invisible mark, overlooked and often undetected by conventional surface spectroscopic measurements. It impacts our daily lives macroscopically during electrostatic discharge and is equally relevant on the nanoscale in areas such as soft lithography, transfer, and printing. This report describes a new conceptual approach to studying and utilizing contact electrification beyond prior surface force apparatus and point-contact implementations. Instead of a single point contact, our process studies nanocontact electrification that occurs between multiple nanocontacts of different sizes and shapes that can be formed using flexible materials, in particular, surface-functionalized poly(dimethylsiloxane) (PDMS) stamps and other common dielectrics (PMMA, SU-8, PS, PAA, and SiO(2)). Upon the formation of conformal contacts and forced delamination, contacted regions become charged, which is directly observed using Kelvin probe force microscopy revealing images of charge with sub-100-nm lateral resolution. The experiments reveal chemically driven interfacial proton exchange as the dominant charging mechanism for the materials that have been investigated so far. The recorded levels of uncompensated charges approach the theoretical limit that is set by the dielectric breakdown strength of the air gap that forms as the surfaces are delaminated. The macroscopic presence of the charges is recorded using force-distance curve measurements involving a balance and a micromanipulator to control the distance between the delaminated objects. Coulomb attraction between the delaminated surfaces reaches 150 N/m(2). At such a magnitude, the force finds many applications. We demonstrate the utility of printed charges in the fields of (i) nanoxerography and (ii) nanotransfer printing whereby the smallest objects are ∼10 nm in diameter and the largest objects are in the millimeter to centimeter range. The printed charges are also shown to affect the electronic

  12. TOPICAL REVIEW: Charged-particle multiplicity in proton-proton collisions

    NASA Astrophysics Data System (ADS)

    Fiete Grosse-Oetringhaus, Jan; Reygers, Klaus

    2010-08-01

    This review summarizes and critically reviews measurements of charged-particle multiplicity distributions and pseudorapidity densities in p+p(\\bar{p}) collisions between \\sqrt{s} = 23.6 {\\;GeV} and \\sqrt{s} = 1.8\\;TeV. Related theoretical concepts are briefly introduced. Moments of multiplicity distributions are presented as a function of \\sqrt{s}. Feynman scaling, KNO scaling as well as the description of multiplicity distributions with a single negative binomial distribution and with combinations of two or more negative binomial distributions is discussed. Moreover, similarities between the energy dependence of charged-particle multiplicities in p+p(\\bar{p}) and e+e- collisions are studied. Finally, various predictions for pseudorapidity densities, average multiplicities in full phase space and multiplicity distributions of charged particles in p+p(\\bar{p}) collisions at the LHC energies of \\sqrt{s} = 7\\;TeV, 10\\;TeV and 14 TeV are summarized and compared.

  13. The target effect in transfer ionization in proton-helium and neon collisions at intermediate energies

    NASA Astrophysics Data System (ADS)

    Feng, W. T.; Ma, X.; Zhu, X. L.; Zhang, S. F.; Zhang, R. T.; Guo, D. L.; Li, B.; Yan, S. Y.; Xu, S.; Zhang, P. J.

    2014-04-01

    The velocity distribution of emitted electrons in the transfer ionization (TI) in p-He and p-Ne collisions had been measured at projectile velocity Vp=2 a.u. The characteristics of electrons emission in the scattering plane is significant different from that observed in the TI of He2+-He collision (L. Schmidt et al 2007 Phys. Rev. A 76 012703-1). The mechanism leading to the ejection of electrons has still not been completely understood.

  14. Scaling of charged particle production in d+Au collisions at √(sNN)=200GeV

    NASA Astrophysics Data System (ADS)

    Back, B. B.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; Becker, B.; Betts, R. R.; Bickley, A. A.; Bindel, R.; Busza, W.; Carroll, A.; Decowski, M. P.; García, E.; Gburek, T.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Harrington, A. S.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Khan, N.; Kulinich, P.; Kuo, C. M.; Lee, J. W.; Lin, W. T.; Manly, S.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Roland, C.; Roland, G.; Sagerer, J.; Sarin, P.; Sedykh, I.; Skulski, W.; Smith, C. E.; Steinberg, P.; Stephans, G. S.; Sukhanov, A.; Tonjes, M. B.; Trzupek, A.; Vale, C.; Nieuwenhuizen, G. J.; Verdier, R.; Veres, G. I.; Wolfs, F. L.; Wosiek, B.; Woźniak, K.; Wysłouch, B.; Zhang, J.

    2005-09-01

    The measured pseudorapidity distributions of primary charged particles over a wide pseudorapidity range of |η|≤5.4 and integrated charged particle multiplicities in d+Au collisions at √(sNN)=200GeV are presented as a function of collision centrality. The longitudinal features of d+Au collisions at √(sNN)=200GeV are found to be very similar to those seen in p+A collisions at lower energies. The total multiplicity of charged particles is found to scale with the total number of participants according to NdAuch=1/2Nppch, and the energy dependence of the density of charged particles produced in the fragmentation region exhibits extended longitudinal scaling.

  15. Charged particle multiplicity fluctuations in Au+Au collisions at \\sqrt{s_{NN}} = 200\\, {\\rm GeV}

    NASA Astrophysics Data System (ADS)

    Wozniak, Krzysztof; PHOBOS Collaboration; Back, B. B.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; Betts, R. R.; Bickley, A. A.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Chai, Z.; Decowski, M. P.; García, E.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Heintzelman, G. A.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Holynski, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; McLeod, D.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Skulski, W.; Steinberg, P.; Stephans, G. S. F.; Sukhanov, A.; Tang, J. L.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Wolfs, F. L. H.; Wosiek, B.; Wuosmaa, A. H.; Wyslouch, B.

    2004-08-01

    This paper presents the first PHOBOS results on charged particle multiplicity fluctuations measured for Au+Au collisions at the highest RHIC energy within a wide pseudorapidity range of |eegr| < 3. The dependence on collision geometry is removed in the analysis by using the normalized difference between the number of particles in separate eegr bins. We compare our data to HIJING model predictions.

  16. Charged hadron transverse momentum distributions in Au+Au collisions at √sNN=200 GeV

    NASA Astrophysics Data System (ADS)

    Back, B. B.; Baker, M. D.; Barton, D. S.; Betts, R. R.; Ballintijn, M.; Bickley, A. A.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Decowski, M. P.; García, E.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Heintzelman, G. A.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Lee, J. W.; Manly, S.; McLeod, D.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Skulski, W.; Steadman, S. G.; Steinberg, P.; Stephans, G. S. F.; Sukhanov, A.; Tang, J.-L.; Teng, R.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Verdier, R.; Veres, G. I.; Wadsworth, B.; Wolfs, F. L. H.; Wosiek, B.; Woźniak, K.; Wuosmaa, A. H.; Wysłouch, B.

    2004-01-01

    We present transverse momentum distributions of charged hadrons produced in Au+Au collisions at sNN=200 GeV. The spectra were measured for transverse momenta pT from 0.25 to 4.5 GeV/c in a pseudorapidity range of 0.2<η<1.4. The evolution of the spectra is studied as a function of collision centrality, from 65 to 344 participating nucleons. The results are compared to data from proton-antiproton collisions and Au+Au collisions at lower RHIC energies. We find a significant change of the spectral shape between proton-antiproton and semi-peripheral Au+Au collisions. Comparing semi-peripheral to central Au+Au collisions, we find that the yields at high pT exhibit approximate scaling with the number of participating nucleons, rather than scaling with the number of binary collisions.

  17. Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection

    NASA Astrophysics Data System (ADS)

    Mendive-Tapia, David; Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A.

    2013-07-01

    Coupled electron-nuclear dynamics, implemented using the Ehrenfest method, has been used to study charge migration with fixed nuclei, together with charge transfer when nuclei are allowed to move. Simulations were initiated at reference geometries of neutral benzene and 2-phenylethylamine (PEA), and at geometries close to potential energy surface crossings in the cations. Cationic eigenstates, and the so-called sudden approximation, involving removal of an electron from a correlated ground-state wavefunction for the neutral species, were used as initial conditions. Charge migration without coupled nuclear motion could be observed if the Ehrenfest simulation, using the sudden approximation, was started near a conical intersection where the states were both strongly coupled and quasi-degenerate. Further, the main features associated with charge migration were still recognizable when the nuclear motion was allowed to couple. In the benzene radical cation, starting from the reference neutral geometry with the sudden approximation, one could observe sub-femtosecond charge migration with a small amplitude, which results from weak interaction with higher electronic states. However, we were able to engineer large amplitude charge migration, with a period between 10 and 100 fs, corresponding to oscillation of the electronic structure between the quinoid and anti-quinoid cationic electronic configurations, by distorting the geometry along the derivative coupling vector from the D6h Jahn-Teller crossing to lower symmetry where the states are not degenerate. When the nuclear motion becomes coupled, the period changes only slightly. In PEA, in an Ehrenfest trajectory starting from the D2 eigenstate and reference geometry, a partial charge transfer occurs after about 12 fs near the first crossing between D1, D2 (N+-Phenyl, N-Phenyl+). If the Ehrenfest propagation is started near this point, using the sudden approximation without coupled nuclear motion, one observes an

  18. Coupled electron-nuclear dynamics: charge migration and charge transfer initiated near a conical intersection.

    PubMed

    Mendive-Tapia, David; Vacher, Morgane; Bearpark, Michael J; Robb, Michael A

    2013-07-28

    Coupled electron-nuclear dynamics, implemented using the Ehrenfest method, has been used to study charge migration with fixed nuclei, together with charge transfer when nuclei are allowed to move. Simulations were initiated at reference geometries of neutral benzene and 2-phenylethylamine (PEA), and at geometries close to potential energy surface crossings in the cations. Cationic eigenstates, and the so-called sudden approximation, involving removal of an electron from a correlated ground-state wavefunction for the neutral species, were used as initial conditions. Charge migration without coupled nuclear motion could be observed if the Ehrenfest simulation, using the sudden approximation, was started near a conical intersection where the states were both strongly coupled and quasi-degenerate. Further, the main features associated with charge migration were still recognizable when the nuclear motion was allowed to couple. In the benzene radical cation, starting from the reference neutral geometry with the sudden approximation, one could observe sub-femtosecond charge migration with a small amplitude, which results from weak interaction with higher electronic states. However, we were able to engineer large amplitude charge migration, with a period between 10 and 100 fs, corresponding to oscillation of the electronic structure between the quinoid and anti-quinoid cationic electronic configurations, by distorting the geometry along the derivative coupling vector from the D6h Jahn-Teller crossing to lower symmetry where the states are not degenerate. When the nuclear motion becomes coupled, the period changes only slightly. In PEA, in an Ehrenfest trajectory starting from the D2 eigenstate and reference geometry, a partial charge transfer occurs after about 12 fs near the first crossing between D1, D2 (N(+)-Phenyl, N-Phenyl(+)). If the Ehrenfest propagation is started near this point, using the sudden approximation without coupled nuclear motion, one observes an

  19. Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection

    SciTech Connect

    Mendive-Tapia, David; Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A.

    2013-07-28

    Coupled electron-nuclear dynamics, implemented using the Ehrenfest method, has been used to study charge migration with fixed nuclei, together with charge transfer when nuclei are allowed to move. Simulations were initiated at reference geometries of neutral benzene and 2-phenylethylamine (PEA), and at geometries close to potential energy surface crossings in the cations. Cationic eigenstates, and the so-called sudden approximation, involving removal of an electron from a correlated ground-state wavefunction for the neutral species, were used as initial conditions. Charge migration without coupled nuclear motion could be observed if the Ehrenfest simulation, using the sudden approximation, was started near a conical intersection where the states were both strongly coupled and quasi-degenerate. Further, the main features associated with charge migration were still recognizable when the nuclear motion was allowed to couple. In the benzene radical cation, starting from the reference neutral geometry with the sudden approximation, one could observe sub-femtosecond charge migration with a small amplitude, which results from weak interaction with higher electronic states. However, we were able to engineer large amplitude charge migration, with a period between 10 and 100 fs, corresponding to oscillation of the electronic structure between the quinoid and anti-quinoid cationic electronic configurations, by distorting the geometry along the derivative coupling vector from the D{sub 6h} Jahn-Teller crossing to lower symmetry where the states are not degenerate. When the nuclear motion becomes coupled, the period changes only slightly. In PEA, in an Ehrenfest trajectory starting from the D{sub 2} eigenstate and reference geometry, a partial charge transfer occurs after about 12 fs near the first crossing between D{sub 1}, D{sub 2} (N{sup +}-Phenyl, N-Phenyl{sup +}). If the Ehrenfest propagation is started near this point, using the sudden approximation without coupled

  20. Charge transfer efficiency in proton damaged CCD`s

    SciTech Connect

    Hardy, T. |; Murowinski, R.; Deen, M.J.

    1998-04-01

    The authors have performed detailed measurements of the charge transfer efficiency (CTE) in a thinned, backside-illuminated imaging charge-coupled device (CCD). The device had been damaged in three separate sections by proton radiation typical of that which a CCD would receive in space-borne experiments, nuclear imaging, or particle detection. They examined CTE as a function of signal level, temperature, and radiation dose. The dominant factor affecting the CTE in radiation-damaged CCD`s is seen to be trapping by bulk states. They present a simple physical model for trapping as a function of transfer rate, trap concentration, and temperature. They have made calculations using this model and arrived at predictions which closely match the measured results. The CTE was also observed to have a nonlinear dependence on signal level. Using two-dimensional device simulations to examine the distribution of the charge packets in the CCD channel over a range of signal levels, they were able to explain the observed variation.

  1. Experimental and theoretical studies of the He(2+)-He system - Differential cross sections for direct, single-, and double-charge-transfer scattering at keV energies

    NASA Technical Reports Server (NTRS)

    Gao, R. S.; Dutta, C. M.; Lane, N. F.; Smith, K. A.; Stebbings, R. F.; Kimura, M.

    1992-01-01

    Measurements and calculations of differential cross sections for direct scattering, single-charge transfer, and double-charge transfer in collisions of 1.5-, 2.0-, 6.0-, and 10.0-keV (He-3)2+ with an He-4 target are reported. The measurements cover laboratory scattering angles below 1.5 deg with an angular resolution of about 0.03 deg. A quantum-mechanical molecular-state representation is employed in the calculations; in the case of single-charge transfer a two-state close-coupling calculation is carried out taking into account electron-translation effects. The theoretical calculations agree well with the experimental results for direct scattering and double-charge transfer. The present calculation identifies the origins of oscillatory structures observed in the differential cross sections.

  2. On the maximum charge state and proton transfer reactivity of peptide and protein ions formed by electrospray ionization.

    PubMed

    Schnier, P D; Gross, D S; Williams, E R

    1995-11-01

    A relatively simple model for calculation of the energetics of gas-phase proton transfer reactions and the maximum charge state of multiply protonated ions formed by electrospray ionization is presented. This model is based on estimates of the intrinsic proton transfer reactivity of sites of protonation and point charge Coulomb interactions. From this model, apparent gas-phase basicities (GB(app)) of multiply protonated ions are calculated. Comparison of this value to the gas-phase basicity of the solvent from which an ion is formed enables a maximum charge state to be calculated. For 13 commonly electrosprayed proteins, our calculated maximum charge states are within an average of 6% of the experimental values reported in the literature. This indicates that the maximum charge state for proteins is determined by their gas-phase reactivity. Similar results are observed for peptides with many basic residues. For peptides with few basic residues, we find that the maximum charge state is better correlated to the charge state in solution. For low charge state ions, we find that the most basic sites Arg, Lys, and His are preferentially protonated. A significant fraction of the less basic residues Pro, Trp, and Gln are protonated in high charge state ions. The calculated GB(app) of individual protonation sites varies dramatically in the high charge state ions. From these values, we calculate a reduced cross section for proton transfer reactivity that is significantly lower than the Langevin collision frequency when the GB(app) of the ion is approximately equal to the GB of the neutral base. PMID:24214055

  3. Highly Twisted Triarylamines for Photoinduced Intramoleculer ChargeTransfer

    SciTech Connect

    Chudomel, J. M.; Yang, B. Q.; Barnes, M. D.; Achermann, M.; Mague, J. T.; Lahti, P. M.

    2011-08-04

    9-(N,N-Dianisylamino)anthracene (9DAAA), 9-(N,N-dianisylamino)dinaphth([1,2-a:2'-1'-j]-anthracene (9DAAH), and 9,10-bis(N,N-dianisylamino)anthracene (910BAA) were synthesized as highly twisted triarylamines with potential for photoexcited internal charge transfer. Crystallography of 9DAAA shows its dianisylamino group to be twisted nearly perpendicular to its anthracene unit, similar to a report for 910BAA. The solution fluorescence spectra show strong bathochromic shifts for each of the three molecular systems with strongly decreased quantum efficiency in higher polarity solvents. Solution-phase (ensemble) time-resolved photoluminescence measurements show up to 4-fold decreases in fluorescence lifetime in acetonitrile compared to hexane. The combined results are consistent with photoinduced, transient intramolecular charge-transfer from the bis-anisylamine unit to the polycyclic aromatic unit. Computational modeling is in accord with intramolecular transfer of electron density from the bis-anisylamino unit to the anthracene, based on in comparisons of HOMO and LUMO.

  4. Picturing electron capture to the continuum in the transfer ionization of intermediate-energy He2+ collisions with argon

    NASA Astrophysics Data System (ADS)

    Zhang, R. T.; Ma, X.; Zhang, S. F.; Zhu, X. L.; Akula, Susmitha; Madison, D. H.; Li, B.; Qian, D. B.; Feng, W. T.; Guo, D. L.; Liu, H. P.; Yan, S. C.; Zhang, P. J.; Xu, S.; Chen, X. M.

    2013-01-01

    Electron emission occurring in transfer ionization for He2+ collisions with argon has been investigated using cold target recoil ion momentum spectroscopy. The double differential cross sections for electron capture to the continuum of the projectile (cusp-shaped electrons) are presented for collision energies from 17.5 to 75 keV/u. For an energy of 30 keV/u, we find a maximum in the experimental ratio of the cusp-shaped electron yield to the total electron yield. This result is explained in terms of the velocity matching between the projectile ion and the electron initially bound to the target. One of the important issues for double electron transitions is the role of electron-electron correlation. If this correlation is weak, then the transfer-ionization process can be viewed as two separate sequential processes. If this correlation is strong, then the transfer-ionization process would happen simultaneously and not sequentially. Our experimental and theoretical results indicate that correlation is weak and that the first step is target ionization followed by charge capture.

  5. Tunable charge transfer properties in metal-phthalocyanine heterojunctions

    NASA Astrophysics Data System (ADS)

    Siles, P. F.; Hahn, T.; Salvan, G.; Knupfer, M.; Zhu, F.; Zahn, D. R. T.; Schmidt, O. G.

    2016-04-01

    Organic materials such as phthalocyanine-based systems present a great potential for organic device applications due to the possibility of integrating films of different organic materials to create organic heterostructures which combine the electrical capabilities of each material. This opens the possibility to precisely engineer and tune new electrical properties. In particular, similar transition metal phthalocyanines demonstrate hybridization and charge transfer properties which could lead to interesting physical phenomena. Although, when considering device dimensions, a better understanding and control of the tuning of the transport properties still remain in the focus of research. Here, by employing conductive atomic force microscopy techniques, we provide an insight about the nanoscale electrical properties and transport mechanisms of MnPc and fluorinated phthalocyanines such as F16CuPc and F16CoPc. We report a transition from typical diode-like transport mechanisms for pure MnPc thin films to space-charge-limited current transport regime (SCLC) for Pc-based heterostructures. The controlled addition of fluorinated phthalocyanine also provides highly uniform and symmetric-polarized transport characteristics with conductance enhancements up to two orders of magnitude depending on the polarization. We present a method to spatially map the mobility of the MnPc/F16CuPc structures with a nanoscale resolution and provide theoretical calculations to support our experimental findings. This well-controlled nanoscale tuning of the electrical properties for metal transition phthalocyanine junctions stands as key step for future phthalocyanine-based electronic devices, where the low dimension charge transfer, mediated by transition metal atoms could be intrinsically linked to a transfer of magnetic moment or spin.Organic materials such as phthalocyanine-based systems present a great potential for organic device applications due to the possibility of integrating films of

  6. Nuclear fragmentation energy and momentum transfer distributions in relativistic heavy-ion collisions

    NASA Technical Reports Server (NTRS)

    Khandelwal, Govind S.; Khan, Ferdous

    1989-01-01

    An optical model description of energy and momentum transfer in relativistic heavy-ion collisions, based upon composite particle multiple scattering theory, is presented. Transverse and longitudinal momentum transfers to the projectile are shown to arise from the real and absorptive part of the optical potential, respectively. Comparisons of fragment momentum distribution observables with experiments are made and trends outlined based on our knowledge of the underlying nucleon-nucleon interaction. Corrections to the above calculations are discussed. Finally, use of the model as a tool for estimating collision impact parameters is indicated.

  7. Tunable charge transfer properties in metal-phthalocyanine heterojunctions.

    PubMed

    Siles, P F; Hahn, T; Salvan, G; Knupfer, M; Zhu, F; Zahn, D R T; Schmidt, O G

    2016-04-28

    Organic materials such as phthalocyanine-based systems present a great potential for organic device applications due to the possibility of integrating films of different organic materials to create organic heterostructures which combine the electrical capabilities of each material. This opens the possibility to precisely engineer and tune new electrical properties. In particular, similar transition metal phthalocyanines demonstrate hybridization and charge transfer properties which could lead to interesting physical phenomena. Although, when considering device dimensions, a better understanding and control of the tuning of the transport properties still remain in the focus of research. Here, by employing conductive atomic force microscopy techniques, we provide an insight about the nanoscale electrical properties and transport mechanisms of MnPc and fluorinated phthalocyanines such as F16CuPc and F16CoPc. We report a transition from typical diode-like transport mechanisms for pure MnPc thin films to space-charge-limited current transport regime (SCLC) for Pc-based heterostructures. The controlled addition of fluorinated phthalocyanine also provides highly uniform and symmetric-polarized transport characteristics with conductance enhancements up to two orders of magnitude depending on the polarization. We present a method to spatially map the mobility of the MnPc/F16CuPc structures with a nanoscale resolution and provide theoretical calculations to support our experimental findings. This well-controlled nanoscale tuning of the electrical properties for metal transition phthalocyanine junctions stands as key step for future phthalocyanine-based electronic devices, where the low dimension charge transfer, mediated by transition metal atoms could be intrinsically linked to a transfer of magnetic moment or spin. PMID:27049842

  8. Charge transfer reaction of multi-charged oxygen ions with O2

    NASA Astrophysics Data System (ADS)

    Holzscheiter, H. M.; Church, D. A.

    1981-10-01

    The reaction rates for charge transfer from O2 to doubly and triply charged oxygen atoms are measured in a demonstration of the measurement capabilities of a system at ultrahigh vacuum with low-energy magnetically confined ions. Ions were produced by electron impact ionization of gas within a Penning-type ion trap, with selective removal of unwanted ionization states by radio-frequency resonant excitation. Ion number mass-to-charge ratio spectra obtained at partial pressures of O2 from 9.9 x 10 to the -9th to 1.5 x 10 to the -7th torr yield rate constants of 1.0 x 10 to the -9th cu cm/sec and 2.5 x 10 to the -9th cu cm/sec for the O(2+) and O(3+) reactions, respectively. Measurements made at a 30% increase of the effective axial well depth of the trap demonstrate that the rate constant is essentially energy independent in the energy range studies, implying that the O(2+) cross section for charge transfer has an inverse velocity dependence of the Langevin type, despite a reaction rate lower than the Langevin valve.

  9. Polarization and charge transfer in the hydration of chloride ions

    SciTech Connect

    Zhao Zhen; Rogers, David M.; Beck, Thomas L.

    2010-01-07

    A theoretical study of the structural and electronic properties of the chloride ion and water molecules in the first hydration shell is presented. The calculations are performed on an ensemble of configurations obtained from molecular dynamics simulations of a single chloride ion in bulk water. The simulations utilize the polarizable AMOEBA force field for trajectory generation and MP2-level calculations are performed to examine the electronic structure properties of the ions and surrounding waters in the external field of more distant waters. The ChelpG method is employed to explore the effective charges and dipoles on the chloride ions and first-shell waters. The quantum theory of atoms in molecules (QTAIM) is further utilized to examine charge transfer from the anion to surrounding water molecules. The clusters extracted from the AMOEBA simulations exhibit high probabilities of anisotropic solvation for chloride ions in bulk water. From the QTAIM analysis, 0.2 elementary charges are transferred from the ion to the first-shell water molecules. The default AMOEBA model overestimates the average dipole moment magnitude of the ion compared to the quantum mechanical value. The average magnitude of the dipole moment of the water molecules in the first shell treated at the MP2-level, with the more distant waters handled with an AMOEBA effective charge model, is 2.67 D. This value is close to the AMOEBA result for first-shell waters (2.72 D) and is slightly reduced from the bulk AMOEBA value (2.78 D). The magnitude of the dipole moment of the water molecules in the first solvation shell is most strongly affected by the local water-water interactions and hydrogen bonds with the second solvation shell, rather than by interactions with the ion.

  10. Intramolecular charge transfer in donor-acceptor molecules

    SciTech Connect

    Slama-Schwok, A.; Blanchard-Desce, M.; Lehn, J.M. )

    1990-05-17

    The photophysical properties of donor-acceptor molecules, push-pull polyenes and carotenoids, have been studied by absorption and fluorescence spectroscopy. The compounds bear various acceptor and donor groups, linked together by chains of different length and structure. The position of the absorption and fluorescence maxima and their variation in solvents of increasing polarity are in agreement with long-distance intramolecular charge-transfer processes, the linker acting as a molecular wire. The effects of the linker length and structure and of the nature of acceptor and donor are presented.

  11. Endoergic and resonant charge transfer excitation in He-Cu discharge

    NASA Astrophysics Data System (ADS)

    Mezei, P.; Rózsa, K.; Jánossy, M.; Apai, P.

    1987-09-01

    The intensity of Cu-II lines with upper level energies near and above those of the He ion was measured as a function of He pressure in a Cu hollow cathode tube. In this tube at low pressures the negative glow could expand above the cathode. The maximum intensity of the Cu-II 493.1 nm line was found in the low voltage, high pressure hollow cathode discharge region in accordance with a resonant charge transfer excitation process. Enhancement of the intensity of the Cu-II 436.5 nm and 417.9 nm lines was observed in the cathode glow at low pressures. Excitation of these lines is attributed to endoergic charge transfer collisions between He ions accelerated by the 2 kV tube voltage and ground state Cu atoms. The cross-section for this reaction exciting the 436.5 nm line was estimated to be of the order of 10-17 cm2.

  12. Photoinduced charge-transfer materials for nonlinear optical applications

    DOEpatents

    McBranch, Duncan W.

    2006-10-24

    A method using polyelectrolyte self-assembly for preparing multi-layered organic molecular materials having individual layers which exhibit ultrafast electron and/or energy transfer in a controlled direction occurring over the entire structure. Using a high molecular weight, water-soluble, anionic form of poly-phenylene vinylene, self-assembled films can be formed which show high photoluminescence quantum efficiency (QE). The highest emission QE is achieved using poly(propylene-imine) (PPI) dendrimers as cationic binders. Self-quenching of the luminescence is observed as the solid polymer film thickness is increased and can be reversed by inserting additional spacer layers of transparent polyelectrolytes between each active conjugated layer, such that the QE grows with thickness. A red shift of the luminescence is also observed as additional PPV layers are added. This effect persists as self-quenching is eliminated. Charge transfer superlattices can be formed by additionally incorporating C.sub.60 acceptor layers.

  13. Photoinduced Charge and Energy Transfer Processes in Molecular Aggregates

    SciTech Connect

    John F. Endicott

    2009-10-20

    This project involved the experimental probing of the electronic excited states generated by photoinduced (center-to-center) electron and energy transfer processes in several classes of transition metal donor/acceptor (D/A) complexes. Some of the general properties inferred from these studies should be useful in the design of new systems for energy conversion applications. Pursuit of the project goals has involved the determination of electron transfer efficiencies and the detailed study of variations in the electronic spectra of D/A complexes. This has resulted in the study of some very fundamental issues of photoinduced charge transfer and the identification of some of the constraints on its efficiency. The experimental studies of the competition between the degradative non-radiative unimolecular relaxation of transition metal excited states and their transfer of charge from these excited states to external acceptors have involved a range of techniques such as transient decay kinetics, photoacoustic calorimetry and transient or stationary state spectroscopy. The substrates synthesized for these studies were selected to provide model systems, or series of model systems to probe the validity of models of electronic excited states and their reactivity. The work during the last few years has focused largely, but not exclusively, on the use of emission spectral band shapes to probe the properties of charge transfer (CT) excited states. Bandshape variations are one of the very few approaches for systematically probing electronic excited states and good band shape resolution is necessary in order to gain information about the structural variations that correlate with excited state reactivity. Differences in molecular structure correlate with differences in chemical reactivity, and the variations in emission bandshapes are well known to relate to variations in the molecular structural differences between the excited and ground electronic states. However, it is has been

  14. Beam energy dependence of pseudorapidity distributions of charged particles produced in relativistic heavy-ion collisions

    NASA Astrophysics Data System (ADS)

    Basu, Sumit; Nayak, Tapan K.; Datta, Kaustuv

    2016-06-01

    Heavy-ion collisions at the Relativistic Heavy Ion Collider at Brookhaven National Laboratory and the Large Hadron Collider at CERN probe matter at extreme conditions of temperature and energy density. Most of the global properties of the collisions can be extracted from the measurements of charged-particle multiplicity and pseudorapidity (η ) distributions. We have shown that the available experimental data on beam energy and centrality dependence of η distributions in heavy-ion (Au +Au or Pb +Pb ) collisions from √{sNN}=7.7 GeV to 2.76 TeV are reasonably well described by the AMPT model, which is used for further exploration. The nature of the η distributions has been described by a double Gaussian function using a set of fit parameters, which exhibit a regular pattern as a function of beam energy. By extrapolating the parameters to a higher energy of √{sNN}=5.02 TeV, we have obtained the charged-particle multiplicity densities, η distributions, and energy densities for various centralities. Incidentally, these results match well with some of the recently published data by the ALICE Collaboration.

  15. Maximizing kinetic energy transfer in one-dimensional many-body collisions

    NASA Astrophysics Data System (ADS)

    Ricardo, Bernard; Lee, Paul

    2015-03-01

    The main problem discussed in this paper involves a simple one-dimensional two-body collision, in which the problem can be extended into a chain of one-dimensional many-body collisions. The result is quite interesting, as it provides us with a thorough mathematical understanding that will help in designing a chain system for maximum energy transfer for a range of collision types. In this paper, we will show that there is a way to improve the kinetic energy transfer between two masses, and the idea can be applied recursively. However, this method only works for a certain range of collision types, which is indicated by a range of coefficients of restitution. Although the concept of momentum, elastic and inelastic collision, as well as Newton’s laws, are taught in junior college physics, especially in Singapore schools, students in this level are not expected to be able to do this problem quantitatively, as it requires rigorous mathematics, including calculus. Nevertheless, this paper provides nice analytical steps that address some common misconceptions in students’ way of thinking about one-dimensional collisions.

  16. Beam-Energy Dependence of Charge Separation along the Magnetic Field in Au +Au Collisions at RHIC

    NASA Astrophysics Data System (ADS)

    Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Alekseev, I.; Alford, J.; Anson, C. D.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; Averichev, G. S.; Banerjee, A.; Beavis, D. R.; Bellwied, R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bichsel, H.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Borowski, W.; Bouchet, J.; Brandin, A. V.; Brovko, S. G.; Bültmann, S.; Bunzarov, I.; Burton, T. P.; Butterworth, J.; Caines, H.; Calderón de la Barca Sánchez, M.; Cebra, D.; Cendejas, R.; Cervantes, M. C.; Chaloupka, P.; Chang, Z.; Chattopadhyay, S.; Chen, H. F.; Chen, J. H.; Chen, L.; Cheng, J.; Cherney, M.; Chikanian, A.; Christie, W.; Chwastowski, J.; Codrington, M. J. M.; Contin, G.; Cramer, J. G.; Crawford, H. J.; Cui, X.; Das, S.; Davila Leyva, A.; De Silva, L. C.; Debbe, R. R.; Dedovich, T. G.; Deng, J.; Derevschikov, A. A.; Derradi de Souza, R.; Dhamija, S.; di Ruzza, B.; Didenko, L.; Dilks, C.; Ding, F.; Djawotho, P.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Du, C. M.; Dunkelberger, L. E.; Dunlop, J. C.; Efimov, L. G.; Engelage, J.; Engle, K. S.; Eppley, G.; Eun, L.; Evdokimov, O.; Eyser, O.; Fatemi, R.; Fazio, S.; Fedorisin, J.; Filip, P.; Finch, E.; Fisyak, Y.; Flores, C. E.; Gagliardi, C. A.; Gangadharan, D. R.; Garand, D.; Geurts, F.; Gibson, A.; Girard, M.; Gliske, S.; Greiner, L.; Grosnick, D.; Gunarathne, D. S.; Guo, Y.; Gupta, A.; Gupta, S.; Guryn, W.; Haag, B.; Hamed, A.; Han, L.-X.; Haque, R.; Harris, J. W.; Heppelmann, S.; Hirsch, A.; Hoffmann, G. W.; Hofman, D. J.; Horvat, S.; Huang, B.; Huang, H. Z.; Huang, X.; Huck, P.; Humanic, T. J.; Igo, G.; Jacobs, W. W.; Jang, H.; Judd, E. G.; Kabana, S.; Kalinkin, D.; Kang, K.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Kesich, A.; Khan, Z. H.; Kikola, D. P.; Kisel, I.; Kisiel, A.; Koetke, D. D.; Kollegger, T.; Konzer, J.; Koralt, I.; Kotchenda, L.; Kraishan, A. F.; Kravtsov, P.; Krueger, K.; Kulakov, I.; Kumar, L.; Kycia, R. A.; Lamont, M. A. C.; Landgraf, J. M.; Landry, K. D.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; LeVine, M. J.; Li, C.; Li, W.; Li, X.; Li, X.; Li, Y.; Li, Z. M.; Lisa, M. A.; Liu, F.; Ljubicic, T.; Llope, W. J.; Lomnitz, M.; Longacre, R. S.; Luo, X.; Ma, G. L.; Ma, Y. G.; Madagodagettige Don, D. M. M. D.; Mahapatra, D. P.; Majka, R.; Margetis, S.; Markert, C.; Masui, H.; Matis, H. S.; McDonald, D.; McShane, T. S.; Minaev, N. G.; Mioduszewski, S.; Mohanty, B.; Mondal, M. M.; Morozov, D. A.; Mustafa, M. K.; Nandi, B. K.; Nasim, Md.; Nayak, T. K.; Nelson, J. M.; Nigmatkulov, G.; Nogach, L. V.; Noh, S. Y.; Novak, J.; Nurushev, S. B.; Odyniec, G.; Ogawa, A.; Oh, K.; Ohlson, A.; Okorokov, V.; Oldag, E. W.; Olvitt, D. L.; Pachr, M.; Page, B. S.; Pal, S. K.; Pan, Y. X.; Pandit, Y.; Panebratsev, Y.; Pawlak, T.; Pawlik, B.; Pei, H.; Perkins, C.; Peryt, W.; Pile, P.; Planinic, M.; Pluta, J.; Poljak, N.; Porter, J.; Poskanzer, A. M.; Pruthi, N. K.; Przybycien, M.; Pujahari, P. R.; Putschke, J.; Qiu, H.; Quintero, A.; Ramachandran, S.; Raniwala, R.; Raniwala, S.; Ray, R. L.; Riley, C. K.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Ross, J. F.; Roy, A.; Ruan, L.; Rusnak, J.; Rusnakova, O.; Sahoo, N. R.; Sahu, P. K.; Sakrejda, I.; Salur, S.; Sandweiss, J.; Sangaline, E.; Sarkar, A.; Schambach, J.; Scharenberg, R. P.; Schmah, A. M.; Schmidke, W. B.; Schmitz, N.; Seger, J.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shanmuganathan, P. V.; Shao, M.; Sharma, B.; Shen, W. Q.; Shi, S. S.; Shou, Q. Y.; Sichtermann, E. P.; Singaraju, R. N.; Skoby, M. J.; Smirnov, D.; Smirnov, N.; Solanki, D.; Sorensen, P.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Stevens, J. R.; Stock, R.; Strikhanov, M.; Stringfellow, B.; Sumbera, M.; Sun, X.; Sun, X. M.; Sun, Y.; Sun, Z.; Surrow, B.; Svirida, D. N.; Symons, T. J. M.; Szelezniak, M. A.; Takahashi, J.; Tang, A. H.; Tang, Z.; Tarnowsky, T.; Thomas, J. H.; Timmins, A. R.; Tlusty, D.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Trzeciak, B. A.; Tsai, O. D.; Turnau, J.; Ullrich, T.; Underwood, D. G.; Van Buren, G.; van Nieuwenhuizen, G.; Vandenbroucke, M.; Vanfossen, J. A.; Varma, R.; Vasconcelos, G. M. S.; Vasiliev, A. N.; Vertesi, R.; Videbæk, F.; Viyogi, Y. P.; Vokal, S.; Voloshin, S. A.; Vossen, A.; Wada, M.; Wang, F.; Wang, G.; Wang, H.; Wang, J. S.; Wang, X. L.; Wang, Y.; Wang, Y.; Webb, G.; Webb, J. C.; Westfall, G. D.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y. F.; Xiao, Z.; Xie, W.; Xin, K.; Xu, H.; Xu, J.; Xu, N.; Xu, Q. H.; Xu, Y.; Xu, Z.; Yan, W.; Yang, C.; Yang, Y.; Yang, Y.; Ye, Z.; Yepes, P.; Yi, L.; Yip, K.; Yoo, I.-K.; Yu, N.; Zawisza, Y.; Zbroszczyk, H.; Zha, W.; Zhang, J. B.; Zhang, J. L.; Zhang, S.; Zhang, X. P.; Zhang, Y.; Zhang, Z. P.; Zhao, F.; Zhao, J.; Zhong, C.; Zhu, X.; Zhu, Y. H.; Zoulkarneeva, Y.; Zyzak, M.; STAR Collaboration

    2014-08-01

    Local parity-odd domains are theorized to form inside a quark-gluon plasma which has been produced in high-energy heavy-ion collisions. The local parity-odd domains manifest themselves as charge separation along the magnetic field axis via the chiral magnetic effect. The experimental observation of charge separation has previously been reported for heavy-ion collisions at the top RHIC energies. In this Letter, we present the results of the beam-energy dependence of the charge correlations in Au +Au collisions at midrapidity for center-of-mass energies of 7.7, 11.5, 19.6, 27, 39, and 62.4 GeV from the STAR experiment. After background subtraction, the signal gradually reduces with decreased beam energy and tends to vanish by 7.7 GeV. This implies the dominance of hadronic interactions over partonic ones at lower collision energies.

  17. Beam-energy dependence of charge separation along the magnetic field in Au+Au collisions at RHIC.

    PubMed

    Adamczyk, L; Adkins, J K; Agakishiev, G; Aggarwal, M M; Ahammed, Z; Alekseev, I; Alford, J; Anson, C D; Aparin, A; Arkhipkin, D; Aschenauer, E C; Averichev, G S; Banerjee, A; Beavis, D R; Bellwied, R; Bhasin, A; Bhati, A K; Bhattarai, P; Bichsel, H; Bielcik, J; Bielcikova, J; Bland, L C; Bordyuzhin, I G; Borowski, W; Bouchet, J; Brandin, A V; Brovko, S G; Bültmann, S; Bunzarov, I; Burton, T P; Butterworth, J; Caines, H; Calderón de la Barca Sánchez, M; Cebra, D; Cendejas, R; Cervantes, M C; Chaloupka, P; Chang, Z; Chattopadhyay, S; Chen, H F; Chen, J H; Chen, L; Cheng, J; Cherney, M; Chikanian, A; Christie, W; Chwastowski, J; Codrington, M J M; Contin, G; Cramer, J G; Crawford, H J; Cui, X; Das, S; Davila Leyva, A; De Silva, L C; Debbe, R R; Dedovich, T G; Deng, J; Derevschikov, A A; Derradi de Souza, R; Dhamija, S; di Ruzza, B; Didenko, L; Dilks, C; Ding, F; Djawotho, P; Dong, X; Drachenberg, J L; Draper, J E; Du, C M; Dunkelberger, L E; Dunlop, J C; Efimov, L G; Engelage, J; Engle, K S; Eppley, G; Eun, L; Evdokimov, O; Eyser, O; Fatemi, R; Fazio, S; Fedorisin, J; Filip, P; Finch, E; Fisyak, Y; Flores, C E; Gagliardi, C A; Gangadharan, D R; Garand, D; Geurts, F; Gibson, A; Girard, M; Gliske, S; Greiner, L; Grosnick, D; Gunarathne, D S; Guo, Y; Gupta, A; Gupta, S; Guryn, W; Haag, B; Hamed, A; Han, L-X; Haque, R; Harris, J W; Heppelmann, S; Hirsch, A; Hoffmann, G W; Hofman, D J; Horvat, S; Huang, B; Huang, H Z; Huang, X; Huck, P; Humanic, T J; Igo, G; Jacobs, W W; Jang, H; Judd, E G; Kabana, S; Kalinkin, D; Kang, K; Kauder, K; Ke, H W; Keane, D; Kechechyan, A; Kesich, A; Khan, Z H; Kikola, D P; Kisel, I; Kisiel, A; Koetke, D D; Kollegger, T; Konzer, J; Koralt, I; Kotchenda, L; Kraishan, A F; Kravtsov, P; Krueger, K; Kulakov, I; Kumar, L; Kycia, R A; Lamont, M A C; Landgraf, J M; Landry, K D; Lauret, J; Lebedev, A; Lednicky, R; Lee, J H; LeVine, M J; Li, C; Li, W; Li, X; Li, X; Li, Y; Li, Z M; Lisa, M A; Liu, F; Ljubicic, T; Llope, W J; Lomnitz, M; Longacre, R S; Luo, X; Ma, G L; Ma, Y G; Madagodagettige Don, D M M D; Mahapatra, D P; Majka, R; Margetis, S; Markert, C; Masui, H; Matis, H S; McDonald, D; McShane, T S; Minaev, N G; Mioduszewski, S; Mohanty, B; Mondal, M M; Morozov, D A; Mustafa, M K; Nandi, B K; Nasim, Md; Nayak, T K; Nelson, J M; Nigmatkulov, G; Nogach, L V; Noh, S Y; Novak, J; Nurushev, S B; Odyniec, G; Ogawa, A; Oh, K; Ohlson, A; Okorokov, V; Oldag, E W; Olvitt, D L; Pachr, M; Page, B S; Pal, S K; Pan, Y X; Pandit, Y; Panebratsev, Y; Pawlak, T; Pawlik, B; Pei, H; Perkins, C; Peryt, W; Pile, P; Planinic, M; Pluta, J; Poljak, N; Porter, J; Poskanzer, A M; Pruthi, N K; Przybycien, M; Pujahari, P R; Putschke, J; Qiu, H; Quintero, A; Ramachandran, S; Raniwala, R; Raniwala, S; Ray, R L; Riley, C K; Ritter, H G; Roberts, J B; Rogachevskiy, O V; Romero, J L; Ross, J F; Roy, A; Ruan, L; Rusnak, J; Rusnakova, O; Sahoo, N R; Sahu, P K; Sakrejda, I; Salur, S; Sandweiss, J; Sangaline, E; Sarkar, A; Schambach, J; Scharenberg, R P; Schmah, A M; Schmidke, W B; Schmitz, N; Seger, J; Seyboth, P; Shah, N; Shahaliev, E; Shanmuganathan, P V; Shao, M; Sharma, B; Shen, W Q; Shi, S S; Shou, Q Y; Sichtermann, E P; Singaraju, R N; Skoby, M J; Smirnov, D; Smirnov, N; Solanki, D; Sorensen, P; Spinka, H M; Srivastava, B; Stanislaus, T D S; Stevens, J R; Stock, R; Strikhanov, M; Stringfellow, B; Sumbera, M; Sun, X; Sun, X M; Sun, Y; Sun, Z; Surrow, B; Svirida, D N; Symons, T J M; Szelezniak, M A; Takahashi, J; Tang, A H; Tang, Z; Tarnowsky, T; Thomas, J H; Timmins, A R; Tlusty, D; Tokarev, M; Trentalange, S; Tribble, R E; Tribedy, P; Trzeciak, B A; Tsai, O D; Turnau, J; Ullrich, T; Underwood, D G; Van Buren, G; van Nieuwenhuizen, G; Vandenbroucke, M; Vanfossen, J A; Varma, R; Vasconcelos, G M S; Vasiliev, A N; Vertesi, R; Videbæk, F; Viyogi, Y P; Vokal, S; Voloshin, S A; Vossen, A; Wada, M; Wang, F; Wang, G; Wang, H; Wang, J S; Wang, X L; Wang, Y; Wang, Y; Webb, G; Webb, J C; Westfall, G D; Wieman, H; Wissink, S W; Witt, R; Wu, Y F; Xiao, Z; Xie, W; Xin, K; Xu, H; Xu, J; Xu, N; Xu, Q H; Xu, Y; Xu, Z; Yan, W; Yang, C; Yang, Y; Yang, Y; Ye, Z; Yepes, P; Yi, L; Yip, K; Yoo, I-K; Yu, N; Zawisza, Y; Zbroszczyk, H; Zha, W; Zhang, J B; Zhang, J L; Zhang, S; Zhang, X P; Zhang, Y; Zhang, Z P; Zhao, F; Zhao, J; Zhong, C; Zhu, X; Zhu, Y H; Zoulkarneeva, Y; Zyzak, M

    2014-08-01

    Local parity-odd domains are theorized to form inside a quark-gluon plasma which has been produced in high-energy heavy-ion collisions. The local parity-odd domains manifest themselves as charge separation along the magnetic field axis via the chiral magnetic effect. The experimental observation of charge separation has previously been reported for heavy-ion collisions at the top RHIC energies. In this Letter, we present the results of the beam-energy dependence of the charge correlations in Au+Au collisions at midrapidity for center-of-mass energies of 7.7, 11.5, 19.6, 27, 39, and 62.4 GeV from the STAR experiment. After background subtraction, the signal gradually reduces with decreased beam energy and tends to vanish by 7.7 GeV. This implies the dominance of hadronic interactions over partonic ones at lower collision energies. PMID:25126911

  18. Thiolate versus Selenolate: Structure, Stability, and Charge Transfer Properties.

    PubMed

    Ossowski, Jakub; Wächter, Tobias; Silies, Laura; Kind, Martin; Noworolska, Agnieszka; Blobner, Florian; Gnatek, Dominika; Rysz, Jakub; Bolte, Michael; Feulner, Peter; Terfort, Andreas; Cyganik, Piotr; Zharnikov, Michael

    2015-04-28

    Selenolate is considered as an alternative to thiolate to serve as a headgroup mediating the formation of self-assembled monolayers (SAMs) on coinage metal substrates. There are, however, ongoing vivid discussions regarding the advantages and disadvantages of these anchor groups, regarding, in particular, the energetics of the headgroup-substrate interface and their efficiency in terms of charge transport/transfer. Here we introduce a well-defined model system of 6-cyanonaphthalene-2-thiolate and -selenolate SAMs on Au(111) to resolve these controversies. The exact structural arrangements in both types of SAMs are somewhat different, suggesting a better SAM-building ability in the case of selenolates. At the same time, both types of SAMs have similar packing densities and molecular orientations. This permitted reliable competitive exchange and ion-beam-induced desorption experiments which provided unequivocal evidence for a stronger bonding of selenolates to the substrate as compared to the thiolates. Regardless of this difference, the dynamic charge transfer properties of the thiolate- and selenolate-based adsorbates were found to be nearly identical, as determined by the core-hole-clock approach, which is explained by a redistribution of electron density along the molecular framework, compensating the difference in the substrate-headgroup bond strength. PMID:25857927

  19. Charge transfer interactions in oligomer coated gold nanoclusters

    NASA Astrophysics Data System (ADS)

    Newmai, M. Boazbou; Kumar, Pandian Senthil

    2016-05-01

    Gold nanoclusters were synthesized by a bottom-up synergistic approach of in-situ oligomerization of the monomer, N-vinyl pyrrolidone (NVP) and simultaneous weak reduction of Au-NVP complexes in the absence of any other external energy sources, thereby making these tiny gold clusters as the most elemental building blocks to construct further novel nano/microstructures with application potentials. It is well-known that metal clusters with less than 2 nm size do not show the usual surface plasmon band, because of the presence of a band-gap at the fermi level. Nevertheless, our present oligomer coated gold clusters show a discrete intense band at around 630 nm, which could very well be attributed to the charge transfer between the oligomer chain and the surface Au atoms. Such kind of sacrificial plasmon induced charge transfer interaction, observed for the very first time to the best of our knowledge, were also strongly corroborated through the enhancement / shifting of specific vibrational / rotational peaks as observed from the FTIR and Raman measurements as a function of the metal oxidation states, thus representing a new prototype for an efficient solar energy conversion probe.

  20. Dynamical Theory of Charge Transfer Between Complex Atoms and Surfaces

    NASA Astrophysics Data System (ADS)

    Chaudhuri, Basudev; Marston, Brad

    2000-03-01

    An existing dynamical quantum many-body theory of charge transfer(A. V. Onufriev and J. B. Marston, Phys. Rev. B 53), 13340 (1996); J. Merino and J. B. Marston, Phys. Rev. B 58, 6982 (1998). describes atoms with simple s-orbitals, such as alkalis and alkaline-earths, interacting with metal surfaces. The many-body equations of motion (EOM) are developed systematically as an expansion in the number of surface particle-hole excitations. Here we generalize this theory to describe atoms with richer orbital structures, such as atomic oxygen. In the simplest version of the model, only the single-particle p_z-orbitals of the atom, the ones oriented perpendicular to the surface, participate directly in resonant charge transfer as they have the largest overlap with the metallic wavefunctions. However, as the several-electron Russell-Saunders eigenstates, labeled by total angular momenta quantum numbers J, L, and S, are built out of products of single-particle orbitals, non-trivial matrix elements must be incorporated into the many-body EOM's. Comparison to recent experimental results(A. C. Lavery, C. E. Sosolik, and B. H. Cooper, Nucl. Instrum. Meth. B 157), 42 (1999); A. C. Lavery et al. to appear in Phys. Rev. B. on the scattering of low-energy oxygen ions off Cu(001) surfaces is made.

  1. SELF-CONSISTENT LANGEVIN SIMULATION OF COULOMB COLLISIONS IN CHARGED-PARTICLE BEAMS

    SciTech Connect

    J. QIANG; R. RYNE; S. HABIB

    2000-05-01

    In many plasma physics and charged-particle beam dynamics problems, Coulomb collisions are modeled by a Fokker-Planck equation. In order to incorporate these collisions, we present a three-dimensional parallel Langevin simulation method using a Particle-In-Cell (PIC) approach implemented on high-performance parallel computers. We perform, for the first time, a fully self-consistent simulation, in which the friction and diffusion coefficients are computed from first principles. We employ a two-dimensional domain decomposition approach within a message passing programming paradigm along with dynamic load balancing. Object oriented programming is used to encapsulate details of the communication syntax as well as to enhance reusability and extensibility. Performance tests on the SGI Origin 2000 and the Cray T3E-900 have demonstrated good scalability. Work is in progress to apply our technique to intrabeam scattering in accelerators.

  2. Identified charged hadron production in Pb-Pb collisions with event shape engineering

    NASA Astrophysics Data System (ADS)

    Tangaro, Marco Antonio; ALICE Collaboration

    2015-05-01

    The Event Shape Engineering technique allows the selection of different event shapes for a definite centrality and colliding system. The event selection is based on the azimuthal distribution of produced particles, using the so-called flow vector. For such shape selected events, the elliptic flow coefficient (v2) is significantly different with respect to the unbiased events. Moreover, recent Monte-Carlo studies show a strong correlation between the (final state) event shape selection and the (initial state) eccentricity of the collision. This opens the opportunity to characterize events according to the initial geometry. An approach to select the eccentricity of the event with the Event Shape Engineering is presented. Then the effect of this selection on identified particle spectra, mean transverse momentum and v2 of charged particles in heavy-ion collisions at \\sqrt{sNN} = 2.76 TeV center-of-mass energy is discussed.

  3. Fluctuations of conserved charges in relativistic heavy ion collisions: An introduction

    NASA Astrophysics Data System (ADS)

    Asakawa, Masayuki; Kitazawa, Masakiyo

    2016-09-01

    Bulk fluctuations of conserved charges measured by event-by-event analysis in relativistic heavy ion collisions are observables which are believed to carry significant amount of information on the hot medium created by the collisions. Active studies have been done recently experimentally, theoretically, and on the lattice. In particular, non-Gaussianity of the fluctuations has acquired much attention recently. In this review, we give a pedagogical introduction to these issues, and survey recent developments in this field of research. Starting from the definition of cumulants, basic concepts in fluctuation physics, such as thermal fluctuations in statistical mechanics and time evolution of fluctuations in diffusive systems, are described. Phenomena which are expected to occur in finite temperature and/or density QCD matter and their measurement by event-by-event analyses are also elucidated.

  4. Asymptotic form of the charge exchange cross section in the three body rearrangement collisions

    NASA Technical Reports Server (NTRS)

    Omidvar, K.

    1975-01-01

    A three body general rearrangement collision is considered where the initial and final bound states are described by the hydrogen-like wave functions. Mathematical models are developed to establish the relationships of quantum number, the reduced mass, and the nuclear charge of the final state. It is shown that for the low lying levels, the reciprocal of n cubed scaling law at all incident energies is only approximately satisfied. The case of the symmetric collisions is considered and it is shown that for high n and high incident energy, E, the cross section behaves as the reciprocal of E cubed. Zeros and minima in the differential cross sections in the limit of high n for protons on atomic hydrogen and positrons on atomic hydrogen are given.

  5. Collision induced dissociation of doubly-charged ions: Coulomb explosion vs. neutral loss in [Ca(urea)]{sup 2+} gas phase unimolecular reactivity via chemical dynamics simulations

    SciTech Connect

    Spezia, Riccardo; Salpin, Jean-Yves; Cimas, Alvaro; Gaigeot, Marie-Pierre; Song, Kihyung; Hase, William L.

    2012-07-01

    In this paper we report different theoretical approaches to study the gas-phase unimolecular dissociation of the doubly-charged cation [Ca(urea)]{sup 2+}, in order to rationalize recent experimental findings. Quantum mechanical plus molecular mechanical (QM/MM) direct chemical dynamics simulations were used to investigate collision induced dissociation (CID) and rotational-vibrational energy transfer for Ar{sup +} [Ca(urea)]{sup 2+} collisions. For the picosecond time-domain of the simulations, both neutral loss and Coulomb explosion reactions were found and the differences in their mechanisms elucidated. The loss of neutral urea subsequent to collision with Ar occurs via a shattering mechanism, while the formation of two singly-charged cations follows statistical (or almost statistical) dynamics. Vibrational-rotational energy transfer efficiencies obtained for trajectories that do not dissociate during the trajectory integration were used in conjunction with RRKM rate constants to approximate dissociation pathways assuming complete intramolecular vibrational energy redistribution (IVR) and statistical dynamics. This statistical limit predicts, as expected, that at long time the most stable species on the potential energy surface (PES) dominate. These results, coupled with experimental CID from which both neutral loss and Coulomb explosion products were obtained, show that the gas phase dissociation of this ion occurs by multiple mechanisms leading to different products and that reactivity on the complicated PES is dynamically complex. (authors)

  6. Mutation induction by charged particles of defined linear energy transfer.

    PubMed

    Hei, T K; Chen, D J; Brenner, D J; Hall, E J

    1988-07-01

    The mutagenic potential of charged particles of defined linear energy transfer (LET) was assessed using the hypoxanthine-guanine phosphoribosyl transferase locus (HGPRT) in primary human fibroblasts. Exponentially growing cultures of early passaged fibroblasts were grown as monolayers on thin mylar sheets and were irradiated with accelerated protons, deuterons or helium-3 ions. The mutation rates were compared with those generated by 137Cs gamma-rays. LET values for charged particles accelerated at the Radiological Research Accelerator Facility, using the track segment mode, ranged from 10 to 150 keV/micron. After irradiation, cells were trypsinized, subcultured and assayed for both cytotoxicity and 6-thioguanine resistance. For gamma-rays, and for the charged particles of lower LET, the dose-response curves for cell survival were characterized by a marked initial shoulder, but approximated to an exponential function of dose for higher LETs. Mutation frequencies, likewise, showed a direct correlation to LET over the dose range examined. Relative biological effectiveness (RBE) for mutagenesis, based on the initial slopes of the dose-response curves, ranged from 1.30 for 10 keV/micron protons to 9.40 for 150 keV/micron helium-3 ions. Results of the present studies indicate that high-LET radiations, apart from being efficient inducers of cell lethality, are even more efficient in mutation induction as compared to low-LET ionizing radiation. These data are consistent with results previously obtained with both rodent and human fibroblast cell lines. PMID:3383341

  7. Transverse energy distribution, charged particle multiplicities and spectra in /sup 16/O-nucleus collisions

    SciTech Connect

    Sunier, J.W.

    1987-01-01

    The HELIOS (High Energy Lepton and Ion Spectrometer) experiment, installed at the CERN Super Proton Synchrotron, proposes to examine in details the physical properties of a state of high energy created in nuclei by ultra-relativistic nucleus-nucleus collisions. It is generally believed that, at high densities or temperatures, a phase transition to a plasma of quark and gluons will occur. The dynamic of the expansion of such a plasma and its subsequent condensation into a hadron gas should markedly affect the composition and momentum distribution of the emerging particles and photons. The HELIOS experimental setup therefore combines 4..pi.. calorimetric coverage with measurements of inclusive particle spectra, two particle correlations, low and high mass lepton pairs and photons. The emphasis is placed on transverse energy flow (E/sub T/) measurements with good energy resolution, and the ability to trigger the acquisition of data in a variety of E/sub T/ ranges, thereby selecting the impact parameter or the violence of the collisions. This short note presents HELIOS results, for the most part still preliminary, on /sup 16/O-nucleus collisions at the incident energies of 60 and 200 GeV per nucleon. The E/sub T/ distributions from Al, Ag and W targets are discussed and compared to the associated charged particle multiplicities from W. Charged particle and (converted) photon spectra measured with the external magnetic spectrometer are compared for /sup 16/O + W and p + W collisions at 200 GeV per nucleon. 5 refs., 7 figs.

  8. Measurement of charged jet suppression in Pb-Pb collisions at = 2 .76 TeV

    NASA Astrophysics Data System (ADS)

    Abelev, B.; Adam, J.; Adamová, D.; Aggarwal, M. M.; Rinella, G. Aglieri; Agnello, M.; Agocs, A. G.; Agostinelli, A.; Agrawal, N.; Ahammed, Z.; Ahmad, N.; Masoodi, A. Ahmad; Ahmed, I.; Ahn, S. U.; Ahn, S. A.; Aimo, I.; Aiola, S.; Ajaz, M.; Akindinov, A.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altini, V.; Altinpinar, S.; Altsybeev, I.; Prado, C. Alves Garcia; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arbor, N.; Arcelli, S.; Armesto, N.; Arnaldi, R.; Aronsson, T.; Arsene, I. C.; Arslandok, M.; Augustinus, A.; Averbeck, R.; Awes, T. C.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bairathi, V.; Bala, R.; Baldisseri, A.; Pedrosa, F. Baltasar Dos Santos; Bán, J.; Baral, R. C.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartke, J.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batyunya, B.; Batzing, P. C.; Baumann, C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bellwied, R.; Belmont-Moreno, E.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Berger, M. E.; Bergognon, A. A. E.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Bjelogrlic, S.; Blanco, F.; Blau, D.; Blume, C.; Bock, F.; Boehmer, F. V.; Bogdanov, A.; Bøggild, H.; Bogolyubsky, M.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Bornschein, J.; Bossú, F.; Botje, M.; Botta, E.; Böttger, S.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Caffarri, D.; Cai, X.; Caines, H.; Caliva, A.; Villar, E. Calvo; Camerini, P.; Roman, V. Canoa; Carena, F.; Carena, W.; Carminati, F.; Díaz, A. Casanova; Castellanos, J. Castillo; Casula, E. A. R.; Catanescu, V.; Cavicchioli, C.; Sanchez, C. Ceballos; Cepila, J.; Cerello, P.; Chang, B.; Chapeland, S.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Barroso, V. Chibante; Chinellato, D. D.; Chochula, P.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Balbastre, G. Conesa; del Valle, Z. Conesa; Connors, M. E.; Contin, G.; Contreras, J. G.; Cormier, T. M.; Morales, Y. Corrales; Cortese, P.; Maldonado, I. Cortés; Cosentino, M. R.; Costa, F.; Crochet, P.; Albino, R. Cruz; Cuautle, E.; Cunqueiro, L.; Dainese, A.; Dang, R.; Danu, A.; Das, D.; Das, I.; Das, K.; Das, S.; Dash, A.; Dash, S.; De, S.; Delagrange, H.; Deloff, A.; Dénes, E.; D'Erasmo, G.; de Barros, G. O. V.; De Caro, A.; de Cataldo, G.; de Cuveland, J.; De Falco, A.; De Gruttola, D.; De Marco, N.; De Pasquale, S.; de Rooij, R.; Corchero, M. A. Diaz; Dietel, T.; Divià, R.; Di Bari, D.; Di Liberto, S.; Di Mauro, A.; Di Nezza, P.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Gimenez, D. Domenicis; Dönigus, B.; Dordic, O.; Dorheim, S.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Majumdar, A. K. Dutta; Elia, D.; Engel, H.; Erazmus, B.; Erdal, H. A.; Eschweiler, D.; Espagnon, B.; Estienne, M.; Esumi, S.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabris, D.; Faivre, J.; Falchieri, D.; Fantoni, A.; Fasel, M.; Fehlker, D.; Feldkamp, L.; Felea, D.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Téllez, A. Fernández; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Floratos, E.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Girard, M. Fusco; Gaardhøje, J. J.; Gagliardi, M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Garishvili, I.; Gerhard, J.; Germain, M.; Gheata, A.; Gheata, M.; Ghidini, B.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Gladysz-Dziadus, E.; Glässel, P.; Gomez, R.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Graczykowski, L. K.; Grajcarek, R.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Guilbaud, M.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Khan, K. H.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.

    2014-03-01

    A measurement of the transverse momentum spectra of jets in Pb-Pb collisions at = 2 .76TeV is reported. Jets are reconstructed from charged particles using the anti- k T jet algorithm with jet resolution parameters R of 0 .2 and 0 .3 in pseudo-rapidity | η| < 0 .5. The transverse momentum p T of charged particles is measured down to 0 .15 GeV/ c which gives access to the low p T fragments of the jet. Jets found in heavy-ion collisions are corrected event-by-event for average background density and on an inclusive basis (via unfolding) for residual background fluctuations and detector effects. A strong suppression of jet production in central events with respect to peripheral events is observed. The suppression is found to be similar to the suppression of charged hadrons, which suggests that substantial energy is radiated at angles larger than the jet resolution parameter R = 0 .3 considered in the analysis. The fragmentation bias introduced by selecting jets with a high p T leading particle, which rejects jets with a soft fragmentation pattern, has a similar effect on the jet yield for central and peripheral events. The ratio of jet spectra with R = 0 .2 and R = 0 .3 is found to be similar in Pb-Pb and simulated PYTHIA pp events, indicating no strong broadening of the radial jet structure in the reconstructed jets with R < 0 .3. [Figure not available: see fulltext.

  9. Determination of Energy-Transfer Distributions in Ionizing Ion-Molecule Collisions.

    PubMed

    Maclot, S; Delaunay, R; Piekarski, D G; Domaracka, A; Huber, B A; Adoui, L; Martín, F; Alcamí, M; Avaldi, L; Bolognesi, P; Díaz-Tendero, S; Rousseau, P

    2016-08-12

    The ionization and fragmentation of the nucleoside thymidine in the gas phase has been investigated by combining ion collision with state-selected photoionization experiments and quantum chemistry calculations. The comparison between the mass spectra measured in both types of experiments allows us to accurately determine the distribution of the energy deposited in the ionized molecule as a result of the collision. The relation of two experimental techniques and theory shows a strong correlation between the excited states of the ionized molecule with the computed dissociation pathways, as well as with charge localization or delocalization. PMID:27563959

  10. Determination of Energy-Transfer Distributions in Ionizing Ion-Molecule Collisions

    NASA Astrophysics Data System (ADS)

    Maclot, S.; Delaunay, R.; Piekarski, D. G.; Domaracka, A.; Huber, B. A.; Adoui, L.; Martín, F.; Alcamí, M.; Avaldi, L.; Bolognesi, P.; Díaz-Tendero, S.; Rousseau, P.

    2016-08-01

    The ionization and fragmentation of the nucleoside thymidine in the gas phase has been investigated by combining ion collision with state-selected photoionization experiments and quantum chemistry calculations. The comparison between the mass spectra measured in both types of experiments allows us to accurately determine the distribution of the energy deposited in the ionized molecule as a result of the collision. The relation of two experimental techniques and theory shows a strong correlation between the excited states of the ionized molecule with the computed dissociation pathways, as well as with charge localization or delocalization.