All-electron scalar relativistic calculation on the interaction between nitric monoxide and small gold cluster

An all-electron scalar relativistic calculation on Au _n NO (n = 1–10) clusters has been performed by using density functional theory with the generalized gradient approximation at the PW91 level. The small gold cluster would like to bond with nitric and the nitric monoxide molecule prefers to occupy the on-top and single fold coordination site. The Au _n structures in all Au _n NO clusters are only distorted slightly and still keep the planar structures. With the bend of Au-N-O bond, the structures of Au _n NO clusters evolve from the 2D structure to 3D structure. The most favorable adsorption between small gold cluster and nitric monoxide molecule takes place in the case that nitric monoxide molecule is adsorbed onto an odd-numbered pure Au _n cluster and becomes odd-numbered Au _n NO cluster with even number of valence electrons. The scalar relativistic effect strengthens the Au–Au, Au–N interaction and weakens the N–O interaction, appearing as the shorter Au–Au, Au–N bond-length and the longer N–O bond-length. The differences between our work and previous work are believed to be the reflection of the scalar relativistic effect.     

Novel fabrication and catalytic application of poly(ethylenimine)-stabilized gold–silver alloy nanoparticles

Novel synthesis of amine-stabilized Au–Ag alloy nanoparticles with controlled composition has been devised using poly(ethylenimine) (PEI) as a reducing and a stabilizing agent simultaneously. The composition of Au–Ag alloy nanoparticles was readily controlled by varying the initial relative amount of HAuCl₄ and AgNO₃. Due to the presence of abundant amine functional groups in PEI, which could act as the dissolving ligand for AgCl, the precipitation problem of Ag⁺ in the presence of Cl⁻ from the gold salt was avoided. On this basis, the relatively high concentrations of HAuCl₄ and AgNO₃ salts were used for the fabrication of Au–Ag alloy nanoparticles. The PEI thus plays triple roles in this study that include the co-reducing agents for HAuCl₄ and AgNO₃, the stabilizing agents for Au–Ag alloy nanoparticles, and even the dissolving agents for AgCl. As a novel material for use in catalysis, the Au–Ag alloy nanoparticles including pure Au and Ag samples were exploited as catalysts for the reduction of 4-nitrophenol in the presence of NaBH₄. As the Au content was increased in the Au–Ag alloy nanoparticles, the rate constant of the reduction was exponentially increased from pure Ag to pure Au.     

Density-functional study of Mo4S6 on Au(111)

The adsorption site and energetics of Mo₄S₆ on the unreconstructed (111) gold surface was determined by density-functional band-structure calculations. Mo₄S₆ adsorbs preferably via three S atoms at Au–Au bridging sites and three Mo atoms at adjacent threefold hollow sites of the Au(111) surface. The perfectly tetrahedral free cluster becomes trigonally distorted upon adsorption, which indicates the presence of attractive Au–S and Au–Mo interactions. The work of separation amounts to 4.2 eV including gradient corrections. Small peak shifts in the density of electronic states indicate electron transfer from Au to S states and from Mo to Au states, such that a Bader analysis yields a neutral cluster. Electron density difference maps, which visualize the electron redistribution between cluster and substrate in the interface region, show that the electron redistribution is confined to the cluster-surface contact region. PACS 61.46.+w; 73.22.-f; 72.20.-v     

Emission of quasi-thermal ions from a solid bombarded by cluster ions

Comparative studies of the emission of quasi-thermal atomic and cluster ions from V, Nb, Ta, Au, and In targets bombarded by cluster ions Au _m ⁻(m = 1–9), as well as from Si and Bi targets bombarded by cluster ions Au _m ⁻(m = 1–9) and Bi _m ⁻(m = 1–5), with energy E ₀ ranging from 6 to 21 keV are carried out. In the case of bombardment by heavy cluster ions, the fraction of the quasi-thermal component in the energy spectra of sputtered atomic ions reaches 50 (for V, In, and Au), 70 (Nb), or more than 90% (Ta). In addition, quasi-thermal ions play a considerable part in the emission of small cluster ions Au₂⁺, In₂⁺, In₃⁺, and Bi _n ⁺(n = 2–7). The results of the generalizing investigation favor the presence of thermal spike conditions at cluster bombardment and their appreciable contribution to the emission of atomic and small cluster ions.     

Investigation of the role of the projectile-target orientation angles on the evaporation residue production

The measured yield of evaporation residues in reactions with massive nuclei have been well reproduced by using the partial fusion and quasifission cross sections obtained in the dinuclear-system model. The influence of the orientation angles of the projectile- and target-nucleus symmetry axes relative to the beam direction on the production of the evaporation residues is investigated for the ⁴⁸Ca + ¹⁵⁴Sm reaction as a function of the beam energy. At the low beam energies only the orientation angles close to αP = 30° (projectile) and αP = 0°–15° (target) can contribute to the formation of evaporation residues. At large beam energies (about E _c.m. = 140–180 MeV) the collisions at all values of orientation angles αP and α _T of reactants can contribute to the evaporation residue cross section which ranges between 10–100 mb, while at E _c.m. > 185 MeV the evaporation residue cross section ranges between 0.1–1 mb because the fission barrier for the compound nucleus decreases by increasing its excitation energy and angular momentum.     

Combined dynamical and statistical approach to describing induced fission of heavy nuclei

A combined dynamical and statistical approach to describing induced fission of heavy nuclei is proposed. This approach takes into account the nuclear-dissipation phenomenon and the double-humped structure of the fission barrier. A method that is intended for calculating the angular distribution of fission fragments and which is applicable over a broad range of excitation energies is discussed. The potential of the approach is demonstrated by addressing the problems of self-consistently describing experimental data on fission probabilities for plutonium and americium isotopes, the yields of shape isomers in the α+²³⁸U reaction at alpha-particle energies in the range E _α = 20–32 MeV and the d+^242,240Pu reactions at deuteron energies in the range E _d = 20–30 MeV, fission times in the α + ²³⁸U reaction at alpha-particle energies in the range E _α = 20–32 MeV, and angular distributions of fission fragments in the α + ²³⁸U, ²³⁷Np reactions at alpha-particle energies in the range E _α = 20–100 MeV.     

Synthesis of composite gold/tin-oxide nanoparticles by nano-soldering

Composite Au–SnO₂ nanoparticles (NPs) are synthesized by nano-soldering of pure Au and SnO₂ NPs. The multi-step process involves synthesis of pure Au and SnO₂ NPs separately by nanosecond pulse laser ablation of pure gold and pure tin targets in deionized water and post-ablation laser heating of mixed solution of Au colloidal and SnO₂ colloidal to form nanocomposite. Transmission Electron Microscopy (TEM) and High-Resolution Transmission Electron Microscopy (HRTEM) were used to study the effect of laser irradiation time on morphology of the composite Au–SnO₂ NPs. The spherical particles of 4 nm mean size were obtained for 5 min of post-laser heating. Increased mean size and elongated particles were observed on further laser heating. UV–vis spectra of Au–SnO₂ nanocomposites show red shift in the plasmon resonance absorption peak and line shape broadening with respect to pure Au NPs. The negative binding energy shift of Au 4f_7/2 peak observed in X-ray Photoelectron Spectra (XPS) indicates charge transfer in the nano-soldered Au–SnO₂ between gold and tin oxide and formation of soldered nanocomposite.     

Mass distribution studies in the <Superscript>19</Superscript>F + <Superscript>197</Superscript>Au reaction

Mass distribution and evaporation residue measurements have been carried out in the reaction ¹⁹F + ¹⁹⁷Au using the recoil catcher technique followed by off-line γ-ray spectrometry. The random neck rupture model (RNRM) has been used to compute the variance of the mass distribution ( σ²_A) and the average kinetic energy ( ˉ) of the fission fragments for the present system. The results of model calculations have been found to be in good agreement with the experimental observations. Measured evaporation residue cross-sections have been compared with the statistical model calculations.     

Heavy quark results from STAR

I report the most recent measurements on open heavy flavor production at RHIC on behalf of the STAR collaboration. The total charm production cross section in midrapidity at RHIC energy is found to approximately scale by number of binary collisions in d + Au, Cu + Cu and Au + Au collisions. The nuclear modification factor of non-photonic electrons is strongly suppressed in central Au + Au collisions, suggesting substantial heavy quark energy loss at RHIC. The bottom decay contribution to non-photonic electrons was studied via the e–h and e–D ⁰ azimuthal angular correlations. The bottom contribution is found to be important at p _T >5 GeV/c, and is consistent with the FONLL calculation within uncertainties. Charm production through gluon jet splitting was measured by studying the D ^*± contents in the fully reconstructed jets in p+p collisions. This rate is consistent with pQCD evaluation of gluon splitting into a pair of charm quarks and subsequent hadronization.     

Measurement of light mesons at RHIC by the PHENIX experiment

The PHENIX experiment at RHIC has measured a variety of light neutral mesons (π ⁰, K _S ⁰, η, ω, η ^′, φ) via multi-particle decay channels over a wide range of transverse momentum. A review of the recent results on the production rates of light mesons in p + p and their nuclear modification factors in d + Au, Cu + Cu and Au + Au collisions at different energies is presented.     

PHOBOS at RHIC: Some global observations

Particle production in Au+Au collisions has been measured in the PHOBOS experiment at RHIC for a range of collision energies for a large span of pseudorapidities, |η| < 5.4. Three empirical observations have emerged from this data set which require theoretical examination. First, there is clear evidence of limiting fragmentation. Namely, particle production in central Au + Au collisions, when expressed as dN/dη′ ( η′ ≡ – y_beam), becomes energy independent at high energy for a broad region of η′ around η′ = 0. This energy-independent region grows with energy, allowing only a limited region (if any) of longitudinal boost-invariance. Second, there is a striking similarity between particle production in e⁺e⁻and Au + Au collisions (scaled by the number of participating nucleon pairs). Both the total number of produced particles and the longitudinal distribution of produced particles are approximately the same in e⁺e⁻and in scaled Au + Au. This observation This presentation is based in large part on the PHOBOS summary talk by M Baker at the16th Int. Conf. on Ultrarelativistic Nucleus- Nucleus Collisions, Quark Matter 2002, Nantes, France was not predicted and has not been explained. Finally, particle production has been found to scale approximately with the number of participating nucleon pairs for (N _part ) > 65. This scaling occurs both for the total multiplicity and for highp _T particles (3 <p _T < 4.5 GeV/c). This presentation is based in large part on the PHOBOS summary talk by M Baker at the16th Int. Conf. on Ultrarelativistic Nucleus-Nucleus Collisions, Quark Matter 2002, Nantes, France     

Formation and photofragmentation properties of isolated aromatic amino acid-silver cluster hybrids

The formation of isolated [ (Trp-2H)+Ag₉] ⁺ and [ (Tyr-2H)+Ag₉] ⁺ amino-acid-Ag₉ hybrids is reported. The photofragmentation yields of the aromatic amino acid-silver cluster hybrids, as well as those of the protonated tryptophan and tyrosine molecules ([Trp+H]⁺ and [Tyr+H]⁺) have been recorded. The fragmentation yields of the complexes are higher than the yields for [Trp+H]⁺and [Tyr+H]⁺ and present an extension of the fragmentation on the red side of the spectrum. The photofragmentation spectrum of [ Trp+Ag₉] ⁺ was recently reported [Mitric et al., J. Chem. Phys. 127, 134301 (2007)]. While the optical spectra of substituted [ (Trp-2H)+Ag₉] ⁺ and non-substituted [ Trp+Ag₉] ⁺ complexes are very similar, a strong modification of the fragmentation channels between the two complexes is observed. The fragmentation channels are sensitive to the type of bonding in aromatic amino acid-silver cluster hybrids and can be used as fingerprints of structures.     

Decay pathways of small gold clusters

The decay pathway competition between monomer and dimer evaporation of photoexcited cluster ions Au ⁺ _n, n = 2-27, has been investigated by photodissociation of size-selected gold clusters stored in a Penning trap. For n > 6 the two decay pathways are distinguished by their experimental signature in time-resolved measurements of the dissociation. For the smaller clusters, simple fragment spectra were used. As in the case of the other copper-group elements, even-numbered gold cluster ions decay exclusively by monomer evaporation, irrespective of their size. For small odd-size gold clusters, dimer evaporation is a competitive alternative, and the smaller the odd-sized clusters, the more likely they decay by dimer evaporation. In this respect, Au ⁺ ₉ shows an anomalous behavior, as it is less likely to evaporate dimers than its two odd-numbered neighbors, Au ⁺ ₇ and Au ⁺ ₁₁. This nonamer anomaly is typical for copper-group cluster ions M ⁺ ₉ (M = Cu, Ag, Au) and a similar behavior is found in the anionic heptamers M ^- ₇. It is discussed in terms of the well-known electronic shell closing at n _e = 8 atomic valence electrons. Received 2 November 2000     

Production of charged pions, kaons and antikaons in relativistic C + C and C + Au collisions

Production cross-sections of charged pions, kaons and antikaons have been measured in C+C and C+Au collisions at beam energies of 1.0 and 1.8 AGeV for different polar emission angles. The kaon and antikaon energy spectra can be described by Boltzmann distributions whereas the pion spectra exhibit an additional enhancement at low energies. The pion multiplicity per participating nucleon M(π⁺)/<A _part> is a factor of about 3 smaller in C+Au than in C+C collisions at 1.0 AGeV whereas it differs only little for the C and the Au target at a beam energy of 1.8 AGeV. The K⁺ multiplicities per participating nucleon M(K⁺)/ <A _part> are independent of the target size at 1 AGeV and at 1.8 AGeV. The K^- multiplicity per participating nucleon M(K^-)/ <A _part> is reduced by a factor of about 2 in C+Au as compared to C+C collisions at 1.8 AGeV. This effect might be caused by the absorption of antikaons in the heavy target nucleus. Transport model calculations underestimate the K^-/K⁺ ratio for C+C collisions at 1.8 AGeV by a factor of about 4 if in-medium modifications of K-mesons are neglected. Received: 10 December 1999 / Accepted: 14 November 2000     

Surface plasmon resonance response of Au–WO3?x composite films

Surface plasmon resonance of metal–dielectric composite thin films formed by noble metal nanoparticles embedded in a dielectric matrix offers a high degree of flexibility and enables many applications such as surface enhanced spectroscopes, and biological and chemical sensing. In this article, Au–WO_3−x composite films of various Au contents and thicknesses were prepared by the pulsed laser deposition technique, and their SPR responses were measured in the Kreschmann geometry, using a polarized light beam at 640 nm wavelength. Theoretical calculation of SPR responses based on the Bruggeman or Maxwell–Garnett model with the MacLeod general characteristic matrix method is in obvious discrepancy with experimental measurements but it is able to predict the trend in term of the dependence of SPR responses on Au content and thickness of the Au–WO_3−x films. The SPR responses of the Au–WO_3−x films when exposed to NO gas molecules were measured and the preliminary results indicated that gas sensing using the SPR responses of metal–dielectric composite films is feasible.     

Strange particle production at RHIC

We report STAR measurements of mid-rapidity yields for the Λ , , K _S ⁰ , Ξ ⁻, , Ω ⁻, particles in Cu + Cu and Au + Au  GeV collisions. We show that at a given number of participating nucleons, bulk strangeness production is higher in Cu + Cu collisions compared to Au + Au collisions at the same center of mass energy, counter to predictions from the Canonical formalism. We compare both the Cu + Cu and Au + Au yields to AMPT and EPOS predictions, and find they reproduce key qualitative aspects of the data. Finally, we investigate other scaling parameters and find bulk strangeness production for both the measured data and theoretical predictions, scales better with the number participants that undergo more than one collision.     

Upconversion blue emission dependence on the pump mechanism for Tm<Superscript>3+</Superscript>-heavy-doped NaY(WO<Subscript>4</Subscript>)<Subscript>2</Subscript> crystal

Upconversion blue emissions of Tm³⁺-ion-heavy-doped NaY(WO₄)₂ crystals are investigated with three different near-infrared pump mechanisms. The dependence of upconversion efficiency on the pump mechanism is analyzed from the scope of the concentration quenching effect. Three cross-relaxation processes, , , and , which influence the upconversion dominantly in the Tm³⁺-heavy-doped system, are demonstrated theoretically and experimentally. The results indicate that Yb³⁺ ions can weaken the concentration quenching effect of Tm³⁺ ions significantly so that the blue emission efficiency can be enhanced by one order of magnitude. At the same time, the wavelength of the pump source also has considerable influence on both the population of some crucial energy levels and the upconversion mechanism. Experiments show that the upconversion blue emission in Tm³⁺/Yb³⁺ co-doped NaY(WO₄)₂ crystal under 980-nm laser diode excitation is the most intensive of these three different near-infrared pump mechanisms. The conclusions are confirmed by spectra measurements and calculations of Judd–Ofelt theory and Miyakawa–Dexter theory. PACS 42.70.Hj; 78.55.-m     

Charge transfer mechanism in high-purity silicon-basedn +-π-p + structures

Results of experimental investigations into current-voltage characteristics of n⁺-π-p⁺ structures based on high-purity silicon doped with boron are presented. It is shown that the I–V characteristic at high injection levels is described by Stafeev's theory, when the thickness d of the π-region is smaller than or close to three ambipolar diffusion lengths L_a. For a current density J above (3–50) A/cm² at varying temperatures, the I–V characteristic obeys a relation usually occurring in the case where charge-carrier recombination in the n⁺ and p⁺-regions dominates that found in the π-region. The effect of mutual electron-hole scattering on the behavior of the I–V characteristic is evident at J>630 A/cm³. For d/L_a=9, the I–V characteristic at high injection levels is treated by the theory of double carrier injection into a semiconductor with consideration for diffusion corrections. In the temperature range below 200–276 K, the I–V curve for all samples studied exhibits a linear dependence on J followed by a portion corresponding to a maximum occupancy of recombination levels by injected electrons. Here the Fe or Au donor levels presumably act as recombination levels. The electron and hole capture areas (cross sections) by recombination centers are roughly estimated. Siberian Physicotechnical Institute at Tomsk State University. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 7, pp. 35–45, July 2000.     

Spectroscopy study of air plasma induced by IR CO2 laser pulses

A spectroscopic study of ambient air plasma, initially at room temperature and pressures ranging from 32 to 101 kPa, produced by high-power transverse excitation atmospheric (TEA) CO₂ laser (λ=9.621 and 10.591 μm; τ _FWHM≈64 ns; power densities ranging from 0.29 to 6.31 GW cm⁻²) has been carried out in an attempt to clarify the processes involved in laser-induced breakdown (LIB) air plasma. The strong emission observed in the plasma region is mainly due to electronic relaxation of excited N, O and ionic fragments N⁺. The medium-weak emission is due to excited species O⁺, N²⁺, O²⁺, C, C⁺, C²⁺, H, Ar and molecular band systems of N ₂⁺(_{2}^{+}( B ²\varSigma _u⁺^{2}\varSigma _{\mathrm{u}}^{+} –X ²\varSigma _g⁺)^{2}\varSigma _{\mathrm{g}}^{+}) , N₂(C³ Π _u–B³ Π _g), N ₂⁺(_{2}^{+}( D² Π _g–A² Π _u) and OH(A² Σ ⁺–X² Π). Excitation temperatures of 23400±700 K and 26600±1400 K were estimated by means of N⁺ and O⁺ ionic lines, respectively. Electron number densities of the order of (0.5–2.4)×10¹⁷ cm⁻³ and (0.6–7.5)×10¹⁷ cm⁻³ were deduced from the Stark broadening of several ionic N⁺ and O⁺ lines, respectively. Estimates of vibrational and rotational temperatures of N ₂⁺_{2}^{+} electronically excited species are reported. The characteristics of the spectral emission intensities from different species have been investigated as functions of the air pressure and laser irradiance. Optical breakdown threshold intensities in air at 10.591 μm have been measured.     

Cluster ion emission from LiF induced by MeV N<Superscript>q+</Superscript> projectiles and <Superscript>252</Superscript>Cf fission fragments

Ion cluster desorption yields from LiF were measured at PUC-Rio with ≈0.1 MeV/u N ^q+ (q = 2,4,5,6) ion beams by means of a time-of-fight (TOF) mass spectrometer. A ²⁵²Cf source mounted in the irradiation chamber allows immediate comparison of cluster emissions induced by ≈65 MeV fission fragments (FF). Emission of (LiF) _n Li⁺ clusters are observed for both the N beams and the ²⁵²Cf fission fragments. The observed cluster size n varies from 1 to 6 for N ^q+ projectiles and from 1 to ≈40 for the ²⁵²Cf-FF. The size dependence of the Y(n) distributions suggests two cluster formation regimes: (i) recombination process in the outgoing gas phase after impact and (ii) emission of pre-formed clusters from the periphery of the impact site. The corresponding distribution of ejected negative cluster ions (LiF) _n F⁻ closely resembles that of the positive secondary (LiF) _n Li⁺ ions. The desorption yields of positive ions scale as Y(n) ∼ q ⁵. A calculation with the CASP code shows that this corresponds to a cubic scaling ∼S _e ³ with the electronic stopping power S _e , as predicted by collective shock wave models for sputtering and models involving multiple excitons (Frenkel pair sputtering). We discuss possible interpretations of the functional dependence of the evolution of the cluster emission yield Y(n) with cluster size n, fitted by a number of statistical distributions.