Materials Literature
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Potassium hydrogen phthalate (KAP) single crystals were grown by slow evaporation and slow cooling techniques. The growth procedure like temperature cooling rate, evaporation rate, solution pH, concentration of the solute, supersaturation ratio etc., has been varied to have optically transparent crystals. Efforts were…
In recent years considerable effort has gone into the preparation and characterisation of high purity anthracene crystals, since anthracene is used as a model organic molecular crystal in studies of solid-state properties. Studies of organic molecular crystals and their applications in optics and electronics have been…
Abstract Summary: The synthesis of new fluorene containing photocrosslinkable reactive mesogens is described. Both monodisperse trimers or pentamers and oligomeric mixtures containing two photocrosslinkable acrylate end groups were obtained by Suzuki‐cross‐coupling reactions. The pentamer 12a shows an ideal phase beha…
Three clusters [Ag11(mu9-Se)(mu3-I)3{Se2P(OR)2}6] (R = Et, 1; iPr, 2; 2Bu, 3) were isolated from the reaction of [Ag(CH3CN)4](PF6), NH4[Se2P(OR)2], and Bu4NI in a molar ratio of 4:3:1 in CH2Cl2 in 47-55% yield. Compounds 1 and 2 can also be synthesized with high yield from the reaction of Ag10(Se)[Se2P(OR)2]8 with 8 e…
Ru films were sputter deposited on native oxide p-Si(100) substrates under normal incidence and oblique angle incidence with and without substrate rotation. We characterized the crystalline texture and morphology of the Ru films by x-ray diffraction, transmission electron microscopy, and scanning electron microscopy.…
Diamond films are prepared by microwave plasma-enhanced chemical-vapor deposition on Si (100) substrates using the H2–Ar–CH4 gases. Raman scattering data, including the peak position, intensity, area, and width, are analyzed in depth and used to obtain the sp3- and sp2-bonded carbon contents and the nature of internal…
Here we report the phase behavior of poly(9,9-di-n-hexyl-2,7-fluorene) (PFH), which previously received little attention as compared to its homologues poly(9,9-di-n-octyl-2,7-fluorene) (PFO) and poly(9,9-di-(2'-ethylhexyl)-2,7-fluorene) (PFEH). By means of differential scanning calorimetry, X-ray diffraction, and elec…
The crystal growth and kinetics of the formation of [Co(C 6 H 18 N 4 )][Sb 2 S 4 ] were investigated under solvothermal conditions with combined in situ EDXRD (energy dispersive X-ray diffraction) and in situ EXAFS (extended X-ray absorption fine structure) at different temperatures. In the overwhelming number of reac…
The stable structures, energies, and electronic properties of neutral, cationic, and anionic clusters of Al(n) (n = 2-10) are studied systematically at the B3LYP/6-311G(2d) level. We find that our optimized structures of Al5(+), Al9(+), Al9(-), Al10, Al10(+), and Al10(-) clusters are more stable than the corresponding…
The structure and biochemical function of the hot dog-fold thioesterase PaaI operative in the aerobic phenylacetate degradation pathway are examined. PaaI showed modest activity with phenylacetyl-coenzyme A, suggestive of a role in coenzyme A release from this pathway intermediate in the event of limiting downstream p…
The morphological development of sheared isotactic polypropylene (iPP) containing different amounts of sodium benzoate (SB) has been investigated using wide- and small-angle X-ray scattering techniques. The microbeam of synchrotron radiation allows us to gain, precisely and efficiently, the local morphology at a given…
The origin of the magnetism in recently reported Cr doped anatase $\mathrm{Ti}{\mathrm{O}}_{2}$ is investigated with first principles full-potential linearized augmented plane wave calculations. Through a systematic study over a range of defect compensation, we predict a strikingly different behavior of ${\mathrm{Cr}}…
We show that charge-transporting polymer chains in the brush conformation can be synthesized from a variety of substrates of interest, displaying a high degree of stretching and showing up to a 3 orders of magnitude increase in current density normal to the substrate as compared with a spin-coated film. These nanostru…
The synthesis and characterization of benzyl-spaced aminopropyl-functionalized mesoporous silica is reported by a method designed to reduce silanol-amine and amine-amine interactions. The new material is characterized by N(2) physisorption, thermogravimetric analysis, potentiometric titration, X-ray diffraction, FT-Ra…
The reaction of CoCl2.6H2O, 1,2,4-triazole, and H(2)O at 200 degrees C for 96 h yields purple rods of [Co2(trz)3Cl] (1; trz = 1,2,4-triazolate) in 90% yield. The structure of 1 consists of {Co(trz)3}n(n-) chains of Co(II) sites linked through tetrahedral sites of {CoN(3)Cl} geometry into a three-dimensional framework.…
Silica-supported manganese oxide catalysts with loadings of 3, 10, 15, and 20 wt % (as MnO2) were characterized with use of X-ray absorption spectroscopy and X-ray diffraction (XRD). The edge positions in the X-ray absorption spectra indicated that the oxidation state for the manganese decreased with increasing metal…
The nature of deep defect states, in general, and those associated with group III elements (Ga, In, Tl) in narrow band-gap IV-VI semiconductors (PbTe and PbSe), in particular, have been of great interest over the past three decades. We present ab initio electronic structure calculations that give a new picture of thes…
Abstract We report a study on polymer‐mediated immobilization of non‐aggregated Ag nanoparticles on planar glass substrates and the resultant surface‐enhanced Raman scattering (SERS) activity using Rhodamine 6G (R6G) as a model molecule. Ag colloidal solution with an average particle diameter of 70 nm was prepared by…
We report a phase switch Monte Carlo (PSMC) method study of the freezing line of the Lennard-Jones (LJ) fluid. Our work generalizes to soft potentials the original application of the method to hard-sphere freezing and builds on a previous PSMC study of the LJ system by Errington [J. Chem. Phys. 120, 3130 (2004)]. The…
Magnetization measurements of a truly axial symmetry ${\mathrm{Mn}}_{12}\mathrm{\text{\ensuremath{-}}}t\mathrm{BuAc}$ molecular nanomagnet with a spin ground state of $S=10$ show resonant tunneling. This compound has the same magnetic anisotropy as ${\mathrm{Mn}}_{12}\mathrm{\text{\ensuremath{-}}}\mathrm{Ac}$ but the…