Materials Literature
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Using an empirical Tersoff–Brenner many-body potential for the carbon atoms and a model Lennard-Jones interaction between the adatom and carbon atoms, the diffusion of an adatom over curved surfaces of C nanotubes is studied by calculating the potential energy surface and performing molecular dynamics simulation. The…
The kinetics of the catalytic reduction of NO by CO on Rh(111) was simulated by using a lattice-gas model and a Monte Carlo algorithm. These simulations were designed to incorporate some new experimental results, which reveal that the formation of a N–NO intermediate is necessary for molecular nitrogen production. The…
ω-Isocyanate PMMA, α-anhydride PMMA, and PS- co -PSNH 2 have been prepared by atom transfer radical polymerization (ATRP) with controlled molecular weights (10 4 and 3.5 × 10 4 ) and low polydispersity (1.2). They have been used as precursors of PS- g -PMMA copolymers and let to react in the melt (170 °C, for 10 min)…
The dynamics of cotton cellulose microcrystals (“whiskers”) trapped in agarose hydrogels of varying concentrations was studied by polarized dynamic light scattering. The rigid agarose network strongly heterodynes the signal of the mobile whiskers, thereby enabling the measurement of their diffusion coefficient D and t…
Abstract The pyrolysis of tetra pack in nitrogen was investigated with a thermogravimetric analysis (TGA) reaction system. The pyrolysis kinetics experiments for the tetra pack and its main components (kraft paper and low‐density poly(ethene) (LDPE)) were carried out at heating rates (β) of 5.2, 12.8, 21.8 K min −1 .…
Combined theoretical and experimental studies of the hexagold phosphine-stabilized complex [Au6(PPh3)6][BF4]2 (1) and of related systems are reported. The goal of these studies is to gain a better understanding of how 1 interacts with the TiO2(110) substrate to yield finely dispersed supported Au particles that are ef…
Thermal processes of the volatile compound RuO 2 in Al 2 O 3 matrixes involving phase transformation have been investigated. In this model system, the secondary phase, rutile RuO 2, can be formed and preserved in Al 2 O 3 matrixes throughout a wide temperature range (400−1000 °C) due to the nanocrystalline Al 2 O 3 th…
Mesoporous silica materials have been prepared via the sol−gel reactions of tetraethyl orthosilicate through a new nonsurfactant pathway based on organic compound tartaric acid in conjunction with metallic chloride such as magnesium chloride or aluminum chloride as templates or pore-forming agents. The mesoporous sili…
The interfacial reaction of terpyridyl-pendant poly-amido amine (PAMAM) dendrimers (dend- n -tpy; n = 4, 8, 32) and of bis-terpyridine containing bridging ligands (tpy-bridge-tpy), dissolved in CH 2 Cl 2, with aqueous Fe 2+ or Co 2+ gives rise to film formation on HOPG and Pt(111) single crystal surfaces. Molecularly…
The electronic structure of ${\mathrm{Ba}}_{2}{\mathrm{FeMoO}}_{6}$ (BFMO) has been investigated by using photoemission spectroscopy (PES). By varying $h\ensuremath{\nu}$ across the Mo $4d$ Cooper minimum, it is found that the states close to the Fermi level ${E}_{F}$ are predominantly of the Mo ${t}_{2g}\ensuremath{\…
Recent numerical developments in the study of glassy systems have shown that it is possible to give a purely geometric interpretation of the dynamic glass transition by considering the properties of unstable saddle points of the energy. Here we further develop this approach in the context of a mean-field model, by ana…
We formulate a theory of double perovskite compounds such as ${\mathrm{Sr}}_{2}{\mathrm{FeReO}}_{6}$ and ${\mathrm{Sr}}_{2}{\mathrm{FeMoO}}_{6}$ which have attracted recent attention for their possible uses as spin valves and sources of spin-polarized electrons. We solve the theory in the dynamical mean-field approxim…
One of the main obstacles to the use of alkaline-earth-oxide-based NO x adsorbents for emissions control is the ready poisoning of these materials by SO x . To shed light on the mechanisms of poisoning, density functional theory (DFT) calculations and infrared spectroscopy experiments are used to study SO x adsorption…
The synthesis of polyphosphazene- co -poly(ethylene oxide) block copolymers with well-defined molecular weights has been accomplished via end-functionalized polymer intermediates. Mono- and diamine-terminated poly(ethylene oxides) (PEO = (CH 2 CH 2 O) n −CH 2 CH 2 −) were used to produce polymer-based phosphoranimines…
The relaxation dynamics of a low molecular supercooled liquid, cresolphthalein-dimethylether (KDE), has been investigated in the vicinity of glass transition temperature by dielectric relaxation measurements. Glass transition is approached and studied by the use of isothermal and isobaric paths. Under isobaric conditi…
A novel NO x control technique based on the utilization of iron-containing compounds was studied. Iron-containing additives can be injected in small amounts either into the combustion zone or, if reburning is used, into the reburning zone to reduce NO x emissions. Tests in a 300-kW Boiler Simulator Facility demonstrat…
The viscosity and electrical conductivity and the ${}^{27}\mathrm{Al}$ spin-lattice relaxation time have been measured for two calcium aluminosilicate liquids or glasses. At high temperature, the relaxation times for the three processes are the same to within experimental errors. This similarity points to a coupling b…
The potential energy surfaces of several model atomic glass formers have been studied using eigenvector-following techniques. Barrier distributions, cooperativity indices, path lengths, and vibrational densities of states (VDOS) are presented based upon data sets containing more than 250 000 pathways in total. We find…
We have fabricated multiwalled carbon nanotubes (CNTs) with flowing acetylene, using a well-ordered porous anodic aluminum oxide (AAO) nanotemplate with or without deposition of Co in the pores as a catalyst. Without deposition of Co, the tubes were made in the pores having the shape of the pores by catalysis with the…
Magnetoresistive effects $(R(0)\ensuremath{-}R(H))/R(H)$ exceeding $500%$ are found at room temperature in a field of 7 mT in nanocontacts between ${\mathrm{Fe}}_{3}{\mathrm{O}}_{4}$ crystallites. The shape of the $I(V)$ curve depends on field and the magnitude of the magnetoresistance is correlated with the resistanc…