Micrometre double-quantum ionization of Rydberg hydrogen using linearly and circularly polarized light

The European Physical Journal D - We investigate the two-color two-photon K-shell ionization of neutral atoms based on the relativistic second-order perturbation theory and independent particle...     

Structural study and electrical properties of Zr-doped Nd<Subscript>2</Subscript>Sn<Subscript>2</Subscript>O<Subscript>7</Subscript> pyrochlore compounds

Nd₂Sn₂O₇ pyrochlores with the substitution of Zr⁴⁺ were prepared by conventional ceramic double sintering technique. The single-phase formation was confirmed by X-ray diffraction and neutron diffraction techniques. Relative intensity calculations for X-ray diffraction analysis were performed for oxygen positional parametersx = 0.331 and 0.375, while Rietveld refinements were employed for neutron diffraction data. The neutron diffraction study revealed that there are only two anion sites with 48f and 8b positions. This indicates that the 8a site, i.e. O(3) sublattice, is completely vacant and the structure is a perfect cubic pyrochlore with space group Fd3m (O _h ⁷ ). From the conductivity measurements, it is observed that the electronic conductivity dominates from room temperature up to about 525 K and forT > 525 K, the oxygen ion conduction dominates the charge transport in these compositions. Complex impedance spectroscopy indicates the existence of grain and grain boundary as two separate elements.     

N = 4 Supersymmetric (Dyonic) Hypermultiplets in String Theory

In four-dimensional N = 4 supersymmetric gauge theory, we obtain an exact metric on the moduli space of quantum vacua and analyze the spectra of BPS states in weak as well as in strong coupling regions. Identifying the hypermultiplet of the dyonic state as a string stretched between D₃-brane probe and a 7-brane, we demonstrate that the two hypermultiplets, which become massless at two singularities in supersymmetric theory, correspond to open strings beginning on the D₃-brane and ending on the respective 7-brane.     

Fabrication of isotype (p-p) selenium-polyaniline heterojunction diode by electrochemical method

In the present work, for the first time, heterojunction has been fabricated using electrochemically deposited isotype p-selenium-p-polyaniline from a single solution bath. The structural characterization of selenium and polyaniline thin film was carried out using XRD technique. Polyaniline exhibited amorphous structure while selenium offered monoclinic (β) phase. The junction was formed by electrodepositing polyaniline over selenium film and heating at 423 K. The current density versus voltage (J-V) plot showed the formation of a junction with ideality factor of 1.16. From J-V characteristics at different temperatures, static resistance (R_s), dynamic resistance (R_d), and rectification ratio of diodes were determined. Heat treatment above 448 K caused junction breakdown.     

Crystal and molecular structure of crenatine carbonate

The crystal and molecular structure of 1-ethyl-4-methoxy-9H-pyrido[3,4b]indole (crenatine) carbonate C₁₄H₁₄N₂O·H₂CO₃, (MS, m/z 226)M _R 288.3, a-carboline alkaloid, has been determined from X-ray diffraction data. The compound crystallizes in the space group Pbca with cell parameters:a=11.616(4),b=18.450(8),c=12.992(5)Å,V=2784(2)ų,Z=8,D _calc=1.375 g cm^–3, (MoK)=0.71069Å,(Mo K)=0.94 cm^–1,F(000)=1216,R/R _w =8.2/10.3% for 1099 reflections. The ring system of the-carboline nucleus is planar. The title compound shows a two center hydrogen bond between the indole N-H group and the oxygen atom of a carbonate group. The structure does not display hydrogen bonding between-carboline groups but rather a bonding network involving the carbonate group.     

129I in soil and grass samples around a nuclear reprocessing plant

Neutron activation analysis was used to determine¹²⁹I in soil and grass samples around a reprocessing plant. The method involved wet oxidation of samples, using chromic acid, followed by distillation, collection of iodine in alkaline solution, loading on Dowex-1, irradiation and post-irradiation purification steps. The -activity of¹³⁰I isotope of the purified samples was measured for quantitative determination of¹²⁹I. The experimental results showed that¹²⁹I and the¹²⁹I/¹²⁷I atomic ratio in soil samples varied from 1.09×10^–4 to 5.33×10^–3 pCi g^–1 and 0.10×10^–6 to 6.12×10^–6, respectively. Further, the geometric mean of soil-to-plant transfer factor (Bv) for¹²⁹I was found to be 0.16 which was comparable with other published values.     

Comparison of the catalytic activity of Au3, Au4+, Au5, and Au5- in the gas-phase reaction of H2 and O2 to form hydrogen peroxide: a density functional theory investigation

We report a detailed density functional theory (B3LYP) analysis of the gas-phase H2O2 formation from H2 and O2 on Au3, Au4+, Au5, and Au5-. We find that H2, which interacts only weakly with the Au clusters, is dissociatively added across the Au-O bond, upon interaction with AunO2. One H atom is captured by the adsorbed O2 to form the hydroperoxy intermediate (OOH), while the other H atom is captured by the Au atom. Once formed, the hydroperoxy intermediate acts as a precursor for the closed-loop catalytic cycle. An important common feature of all the pathways is that the rate-determining step of the catalytic cycle is the second H2 addition to form H2O2. The H2O2 desorption is followed by O2 addition to AunH2 to form the hydroperoxy intermediate, thus leading to the closure of the cycle. On the basis of the Gibbs free energy of activation, out of these four clusters, Au4+ is most active for the formation of the H2O2. The 0 K electronic energy of activation and the DeltaGact at the standard conditions are 12.6 and 16.6 kcal/mol respectively. The natural bond orbital charge analysis suggests that the Au clusters remain positively charged (oxidic) in almost all the stages of the cycle. This is interesting in the context of the recent experimental evidence for the activity of cationic Au in CO oxidation and water-gas shift catalysts. We have also found preliminary evidence for a correlation between the activation barrier for the first H2 addition and the O2 binding energy on the Au cluster. It suggests that the minimum activation barrier for the first H2 addition is expected for the Au clusters with 7.0-9.0 kcal/mol O2 binding energy, i.e., in the midrange of the expected interaction energy. This represents a balance between more favorable H2 dissociation when the Aun-O2 interaction is weaker and high O2 coverage when the interaction is stronger. On the basis of this work, we predict that the hydroperoxy intermediate formation can be both thermodynamically and kinetically viable only in a narrow range of the O2 binding energy (10.0-12.0 kcal/mol)-a useful estimate for computationally screening Au-cluster-based catalysts. We also show that a competitive channel for the OOH desorption exists. Thus, in propylene epoxidation both OOH radicals and H2O2 can attack the active Ti in/on the Au/TS-1 and generate the Ti-OOH sites, which can convert propylene to propylene oxide.