Materials Literature
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In situ ATR infrared spectroscopy was used to follow the reaction of CO2 with hydrogen at the solid–liquid interface of a model Pt/Al2O3 catalyst in cyclohexane at 313 K. CO2 adsorbs on Al2O3 to form carbonate-like species, which react with hydrogen to form CO. The observed spectrum exhibits unusually low vibrational…
Vulcanized rubbers have three-dimensional chemical networks, and as a result they do not melt or dissolve. The presence of these networks creates a tremendous problem at the end of a product's life (i.e., recycling). Recently, R. J. Farris et al. have rediscovered a technique coined “high-pressure high-temperature sin…
The solvent-induced chiroptical properties of an optically active, regioregular (head-to-tail) polythiophene bearing chiral oxazoline residues, poly[3-{4-(( R )-4-ethyl-2-oxazolin-2-yl)phenyl}thiophene] (poly- 1a ), were investigated in mixtures of a good solvent, chloroform, and a variety of poor solvents by means of…
The reaction between pentaerythritol ethoxylate compounds and dibutyltin oxide was developed as a route to synthesize two new spirocyclic tin initiators. The initiators were successfully synthesized and they were characterized by (1)H NMR and differential scanning calorimetry (DSC). The (1)H NMR spectra showed the cha…
Spintronic devices, devices that rely upon the spin of the conduction electron to control device properties, are of increasing scientific and commercial interest. These devices commonly are heterostructures with ferromagnetic metals used as spin injectors. The performance of these heterostructured devices can be optim…
We make a theoretical study of the quantum oscillations of the tunneling magnetoresistance (TMR) as a function of the spacer layer thickness. Such oscillations were recently observed in tunneling junctions with a nonmagnetic metallic spacer at the barrier-electrode interface. It is shown that momentum selection due to…
We identify the shortcomings of existing ab initio quantum chemistry calculations for the hyperfine couplings in the recently characterized azafullerene, C59N. Standard gaussian basis sets in the context of all--electron calculations are insufficient to resolve the spin density near the cores of the atoms. Using the P…
The self-assembly of iron dots on the insulating surface of NaCl(001) is investigated experimentally and theoretically. Under proper growth conditions, nanometer-scale magnetic iron dots with remarkably narrow size distributions can be achieved in the absence of a wetting layer Furthermore, both the vertical and later…
By a cleaved-edge overgrowth method with molecular beam epitaxy and a (110) growth-interrupt-anneal, we have fabricated a GaAs quantum well exactly 30 monolayers thick bounded by atomically smooth AlGaAs hetero-interfaces without atomic roughness. Micro-photoluminescence imaging of this quantum well indeed shows spati…
Very efficient amplification of light-matter waves (polaritons), that are a superposition of cavity photons and excitons [1] has recently been reported[2-11]. The optical gain curve versus the pump power shows a threshold and then saturates to a maximum value[7,11]. Very recently it has been shown that this limit-valu…
The first complete ab initio zero-temperature ternary phase diagram is constructed from the calculated energies of the elemental, binary and ternary Ti-Zr-Ni phases; for this, the icosahedral i-TiZrNi quasicrystal phase is approximated by periodic structures of up to 123 atoms/unit cell, based on a decorated-tiling mo…
Electropolymerization of aniline in the presence of poly(acrylic acid) on Au electrodes yields a polyaniline/poly(acrylic acid) composite film, exhibiting reversible redox functions in aqueous solutions at pH = 7.0. In situ electrochemical-SPR measurements are used to identify the dynamics of swelling and shrinking of…
Titanium complexes of the tridentate aryloxide Me–L3− [H3(Me–L) = 2,6-bis(4,6-dimethylsalicyl)-4-tert-butylphenol] have been prepared. Reaction of TiCl4 with 1 equivalent of H3(Me–L) gave [Ti(Me–L)Cl]21. Recrystallization of 1 from THF resulted in formation of the THF adduct Ti(Me–L)Cl(THF)22. Treatment of 1 with [NEt…
In this paper we discuss some applications of the classical Gibbs adsorption equation to specific diffuse interface models that are based on conserved and non–conserved order parameters. Such models are natural examples of the general methodology developed by J. W. Gibbs in his treatment of the thermodynamics of surfa…
High quality ZnO films on α–Al2O3 (sapphire) have a great important application for optoelectronic devices in the future. This study investigated the influence of electric field on the atomic layer epitaxy of ZnO on the (0001) sapphire substrates. Theoretical analyses indicated that the polarization orientation and th…
We report a simulation on the formation of ordered stripe structures of nanoscale rods driven by symmetric diblock copolymer melts. Due to the preferential adsorption of one species of the diblock onto the mobile rods, the phase ordering process will couple with the movement of rods. We find that the self-assembly of…
The photolysis of aqueous ICN is studied by transient absorption spectroscopy covering the spectral range from 227 to 714 nm with 0.5 ps time resolution. The experimental data show that when ICN(aq) is photolyzed at 266 nm, it dissociates into I and CN and both the I(2P3/2) and I(2P1/2) channels are populated. Approxi…
The basis for the conjecture that water’s Tg may be 165±5 K [Velikov, Borick, and Angell, Science 294, 2335 (2001)] has been examined. It is shown that (i) differential scanning calorimetry (DSC) scans provided by Hallbrucker and Mayer [J. Phys. Chem. 91, 503 (1987)], and used as a basis for the conjecture, do not rep…
The bond valence method is applied to analyze local structure models from reverse Monte Carlo (RMC) fits to diffraction data. While our earlier studies demonstrated that for a wide range of silver ion conducting glasses both absolute value and activation energy of the ionic conductivity may be predicted from the volum…
Low-frequency Raman spectra are performed on silver nanocrystals self-organized on a hexagonal compact array on highly oriented pyrolytic graphite (HOPG) substrate. In addition to the well-known Raman scattering by the nanoparticle quadrupolar vibration mode, two lower intensity bands at larger frequency shifts are ob…