Effect of Pb additive on crystallization kinetics of Se80In20 glassy matrix

The crystallization kinetics of bulk Se₈₀In_20−xPb_x (x=0, 5, 10 and 15) chalcogenide glasses have been studied using a differential scanning calorimeter (DSC) with different heating rates (5, 10, 15 and 20 K/min) under non-isothermal conditions. Various kinetic parameters of crystallization, such as crystallization temperature T_c, peak crystallization temperature T_p, activation energy for crystallization E_c and order parameters n, m have been determined to study nucleation and growth during crystallization. The reaction rate constant K and pre-exponential factor K₀ also have been determined. The composition dependence of these parameters may be explained on the basis of modification of chemical bonds present in the Se–In system due to addition of Pb content.     

Swift heavy ion induced effects at Mo/Si interface and silicide formation

Swift heavy ion (SHI) induced modification at metal/Si interfaces has emerged as an interesting field of research due to its large applications. In this study, we investigate SHI‐induced mixed molybdenum silicide film with ion fluences. The molybdenum thin films were deposited on silicon substrates using e‐beam evaporation at 10^?8 torr vacuum. Thin films were irradiated with Au ions of energy 120 MeV to form molybdenum silicide. The samples were characterized by grazing incidence X‐ray diffraction (GIXRD) technique for the identification of phase formation at the interface. Rutherford backscattering spectrometry (RBS) was used to investigate the elemental distribution in the films. The mixing rate calculations were made and the diffusivity values obtained lead to a transient melt phase formation at the interface according to thermal spike model. Irradiation‐induced effects at surface have been observed and roughness variations at the surface were calculated using atomic force microscopy (AFM) technique. Copyright © 2009 John Wiley & Sons, Ltd.     

First principles study and database analyses of structural preferences for sodium ion (Na+) solvation and coordination

Extensive computations were performed on aqueous clusters of monovalent sodium cation [Na⁺(H₂O) _n ; (n = 1–20)] using MP2/cc-pVTZ and density functional theory. The structure, energy, and coordination number (CN) preference of a large number of competing conformations of different complexes have been explored. For complexes up to n = 12, the CN 4 is most preferred while 5, 6 CNs are favored in case of larger complexes containing up to 20 water molecules. These results are in very good agreement with experimental observations. The strength of hydrogen bonding among the waters coordinated to the Na⁺ ion is found to play a major role in the stability of the complexes. The varying preferences for CN of Na⁺ ion were explored by screening two important databases: Protein Databank and Cambridge Structural Database. A linear correlation is observed between the M (Metal)–O distance and the charge on metal ion in complex with the increase in CN of metal ion.     

Cucurbitane Glycosides from Siraitia grosvenorii

Systematic phytochemical studies of the extract of Luo Han Go (Siraitia grosvenorii) furnished six known cucurbitane glycosides, namely, mogrosides IVa, mogrosides V and VI, isomogroside V, 11-oxomogroside V, and siamenoside I. The structures of all the isolated compounds were characterized on the basis of extensive spectral and chemical studies. Though the partial NMR spectral data has been reported for some of the isolated compounds previously, the complete ¹H and ¹³C NMR spectral assignments of all the isolated compounds are reported herewith for the first time based on COSY, HSQC, HMBC, and NOESY spectroscopic data.     

Review of Acetic Acid Synthesis from Various Feedstocks Through Different Catalytic Processes

Acetic acid (AA) has been largely used with a wide range of applications such as a raw material for a synthesis of vinyl acetate monomer, cellulose acetate or acetate anhydrate, acetate ester and a solvent for a synthesis of terephthalic acid and so on. The present paper briefly summarizes the commercialized chemical processes with their Rh or Ir-based catalytic systems in a liquid-phase carbonylation reaction such as Monsanto, Cativa and Acetica processes. In addition, some alternative catalytic systems such as heterogeneous catalysts to produce AA by direct oxidation or indirect carbonylation of dimethyl ether through BP-SaaBre process in a gas-phase reaction to solve some problems such as a difficult separation of homogeneous catalysts in a corrosive reaction medium. Some home-made heterogeneous catalysts such as a rhodium incorporated graphitic carbon nitride (Rh-g-C₃N₄) and some heterogenized homogeneous catalysts using the supports of tungsten carbide, iron oxide or graphitic carbon nitride containing rhodium complexes were also introduced for the synthesis of AA through a liquid-phase methanol carbonylation reaction to effectively solve the leaching problem of active rhodium metal as well as to mitigate the separation problem of homogeneous catalysts.     

<Emphasis Type="Italic">T</Emphasis>-Coloring of Certain Networks

Given a graph G and a finite set T of non-negative integers containing zero, a T-coloring of G is a non-negative integer function f defined on V(G) such that \(|f(x)-f(y)|\not \in T\) whenever \((x,y)\in E(G)\). The span of T-coloring is the difference between the largest and smallest colors, and the T-span of G is the minimum span over all T-colorings f of G. The edge span of a T-coloring is the maximum value of \(|f(x)-f(y)|\) over all edges \((x,y)\in E(G)\), and the T-edge span of G is the minimum edge span over all T-colorings f of G. In this paper, we compute T-span and T-edge span of crown graph, circular ladder and mobius ladder, generalized theta graph, series-parallel graph and wrapped butterfly network.     

Surface and interface engineering in transition metal–based catalysts for electrochemical water oxidation

A tremendous effort has been provided in last two decades to develop efficient transition metal–based heterogeneous catalysts for the electrochemical water oxidation. Several approaches such as composition modulation, heteroatom doping, morphological development, particle size tuning, surface area enhancement, and control over electronic structure have been explored for the designing of the materials with improved water oxidation activity. As the electrochemical process is a surface phenomenon, surface structure plays a crucial role in controlling the water oxidation activity. Rational engineering of the catalyst surface by composition modulation, crystal facet tuning, and generating functional overlayer has been reported to enhance the water oxidation activity. Heteroatom doping, cationic and anionic deficiencies, and ultrathin 2D morphology are also found to promote electrochemical performance. In addition, engineering in the interface provides intrinsic improvement of the catalytic activity and stability for the electrochemical water oxidation. Although, surface and interface engineering of the catalyst has come out as the major factors in the electrochemical water oxidation, no dedicated review is available in this field. In this review, we have described the strategies of improving water oxidation activity of the catalysts by surface and interface engineering. The progress in this field discussed in detail; the challenges have been identified and addressed to attain a clear understanding in this field.     

Electrochemical behaviour of zinc in alkaline solutions

As the whole passivation phenomenon in the case of zinc is very quick and sudden and as it cannot be fully studied and followed by galvanostatic techniques alone, the constant over-potential technique has, for the first time, been applied to zinc and results reported. A special apparatus consisting of suitable oscillator, modulator, demodulator and a stable D.C. amplifier with a gain of 100,000 was used for the purposes and is described. Potential curves for equilibrium current rates, achieved on 0·1 V. and 25 mV. steps after 1 minute each, have been obtained in 6N, N, 0·1 N KOH and zincate solutions for the complete range of ?1·3 to about ?2·0 volts with reference to Hg/HgO/KOH reference electrode. It has been found that in the first truly active region, the main electrode reaction is the formation of zinc ions while after the passivation it changes to gas evolution. Potentiostatic techniques reveal intermediary stages, undisclosed by constant current methods, of pseudo-passivation and current-plateau regions in which the anodic layer thickens, controlled by the high field cation transport. These observations and explanations are further supported by plotting rate-time transients obtained by suddenly dropping the potentials from higher to lower values, when the rates were found to cut off. Some anomalies and sudden reversal of currents with increasing over-voltages, have also been fully discussed. The influence of other factors,e.g., concentration, stirring, sudden changes in over-voltages, presence of zincate, sulphate, etc., has also been considered. Studies such as these are found to throw considerable light on the electrochemical behaviour of zinc.