Materials Literature
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In environmental catalysis the destruction or removal of nitrogen oxides (DeNOx process) is receiving a lot of attention. Synchrotron-based x-ray absorption near-edge spectroscopy, high-resolution photoemission, and first-principles density-functional calculations (DFT-GGA) were used to study the interaction of nitrog…
Mercury(II)-modified carbon nanotubes can be readily prepared by reacting purified/oxidized carbon nanotubes (CNTs) with a Hg(NO 3 ) 2 aqueous solution. Two types of surface-confined Hg(II) species are formed and have been identified as (CNT-COO) 2 Hg II and (CNT-O) 2 Hg II . These two complexes have a surface concent…
Reactive epoxide groups can be directly fixed onto solid surfaces by pulsed plasma polymerization of glycidyl methacrylate. These functionalized substrates are ideally suited for subsequent derivatization chemistries utilizing nucleophilic reagents, and also adhesion promotion.
The ability of non-hydrocarbon fuels such as CO and H 2 to reduce nitric oxide under conditions relevant for the reburning process is investigated experimentally and theoretically. Flow reactor experiments on reduction of NO by CO and H 2 are conducted under fuel-rich conditions, covering temperatures of 1200−1800 K a…
The atomic and electronic structure of positively charged P vacancies on InP(110) surfaces is determined by combining scanning tunneling microscopy, photoelectron spectroscopy, and density-functional theory calculations. The vacancy exhibits a nonsymmetric rebonded atomic configuration with a charge transfer level 0.7…
Catalytic water formation from adsorbed H and O adatoms is a fundamental reaction step in a variety of technologically important reactions involving organic molecules. In particular, the water-formation rate determines the selectivity of the catalytic partial oxidation of methane to syngas. In this report we present a…
The partial structure factors (PSF) of molten ZnCl2 are known since 1981 due to the neutron diffraction experiments by Biggin and Enderby. It is shown in this article that the set of PSF derived from this experiment is not consistent with new XRD data with much better statistical accuracy. A new set of PSF is derived…
Hard electromagnetic radiation diffraction experiments on copper(I)-bromide melt are presented. Combining the result of this experiment with earlier neutron diffraction experiments the partial pair distribution functions of CuBr have been determined. The differing results for two of these functions obtained recently b…
Monte Carlo simulations are used to study two-dimensional hard rod fluids consisting of spherocylinders confined to lie in a plane. The phase behavior is mapped out as a function of the aspect ratio (L/D) of the particles, from the hard disc limit at one extreme (L/D=0) to the thin hard needle limit at the other (L/D=…
An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this “inherent dynamics” approach we find direct numerical evidence for the long held view that be…
The generic heterogeneous effect of foreign particles on three dimensional nucleation was examined both theoretically and experimentally. It shows that the nucleation observed under normal conditions includes a sequence of progressive heterogeneous processes, characterized by different interfacial correlation function…
Transparent conducting indium tin oxide (ITO) thin films were grown by pulsed laser deposition (PLD) on glass substrates. The structural, electrical and optical properties of these films were investigated as a function of film thickness. Films were deposited using a KrF excimer laser at a fluence of 2 J/cm<SUP>2</SUP>…
Carbon nanotubes are of major interest because they combine nanoscale dimensions, structural regularity, exceptional mechanical properties, and interesting electrical properties. We have been primarily concerned with the use of nanotube assemblies as novel electromechanical actuators. The use of nanotube sheets as ele…
An ionic polymer-metal composite (IPMC) consisting of a thin Nafion sheet, platinum plated on both faces, undergoes large bending motion when an electric field is applied across its thickness. Conversely, a voltage is produced across its faces when it is suddenly bent. A micromechanical model is developed which accoun…
An extensive investigation of optical properties was carried out for Tm 3+ -doped Ca 4 GdO(BO 3 ) 3 crystals in the 5-300 K temperature range. Based on absorption and emission spectra at 5 K, crystal field levels of active ions have been located. Non-equivalent sites for Tm 3+ in the Ca 4 GdO(BO 3 ) 3 matrix have been…
We report the first application of dynamic interfacial tension measurements to characterize segregation rates of diblock copolymers to a polymer−polymer interface. The system investigated is a poly(styrene- b -dimethylsiloxane) [P(S- b -DMS); M n = 13 000] symmetric diblock copolymer added to a molten blend of the cor…
Using x-ray scattering we have measured the response of the incommensurate charge-density wave (CDW) modulation in the quasi-low-dimensional material 2 H -NbSe 2 to applied magnetic fields at low temperatures. The application of a magnetic field, either perpendicular or parallel to the layers of a single crystal of 2…
Electron magnetic resonance (EMR) studies of paramagnetic species with the spin S ⩾ 1 at orthorhombic symmetry sites require an axial zero-field splitting (ZFS) parameter and a rhombic one of the second order ( k = 2), whereas at triclinic sites all five ZFS ( k = 2) parameters are expressed in the crystallographic ax…
The vortex lattice melting transition in single crystals Bi2Sr2CaCu2O8+d was studied by the in-plane resistivity measurements in magnetic fields tilted away from the c-axis to the ab-plane. In order to avoid the surface barrier effect which hinders the melting transition in the conventional transport measurements, we…
It is shown that, contrary to widely held beliefs, the potentials of spin-density-functional theory (SDFT) are not unique functionals of the spin densities. Explicit examples of distinct sets of potentials with the same ground-state densities are constructed, and general arguments that uniqueness should not occur in S…