Materials Literature
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The Be electron inelastic mean free path (IMFP) is calculated by using the GW approximation of many-body theory. It is demonstrated that the inclusion of band structure effects significantly improves the agreement between the calculated and measured IMFP in the energy range up to $\ensuremath{\sim}30\mathrm{eV}.$ We s…
A variable-temperature synchrotron X-ray diffraction study of the phase transitions in the ferroelectric n = 3 Aurivillius oxide Bi 4 Ti 3 O 12 is described. At room temperature the structure of Bi 4 Ti 3 O 12 is orthorhombic in space group B 2 eb and this continuously transforms to the high-temperature tetragonal I 4…
The adsorption of amylose and amylopectin, the two components of starch, on pulp fibers was investigated. It was found that there is a preferential adsorption of amylose on fibers. Both cationic starch and hydroxyethyl ether starch show low-affinity Langmuir-type isotherms, but the adsorption capacity of hydroxyethyl…
The surface electronic structure of the hydrogenated diamond $\mathrm{C}(100)\ensuremath{-}(2\ifmmode\times\else\texttimes\fi{}1):\mathrm{H}$ surface was studied using scanning tunneling microscopy (STM), valence band and core-level photoemission, and near-edge x-ray-absorption fine structure. The hydrogenated diamond…
This study presents chemical synthesis, structural, and physical characterization of novel biodegradable aliphatic poly(butylene succinate-co-cyclic carbonate)s P(BS-co-CC) bearing functional carbonate building blocks. First, five kinds of six-membered cyclic carbonate monomers, namely, trimethylene carbonate (TMC), 1…
Segregation of an acceptor (Zn) and a donor dopant (Nb) in nanocrystalline anatase was studied by EXAFS spectroscopy. Different dopant concentrations between 0.1 and 1 at. % were investigated, and similar results were found for nanocrystalline powders and nanocrystalline ceramics made by hot-pressing the powders. Niob…
Abstract We prepared new semiaromatic polyimides from alicyclic dianhydrides and aromatic diamines containing adamantyl and biadamantyl units. Polycondensations were performed in 1‐methyl‐2‐pyrrolidinone at room temperature for 7 h and then 80 °C for 23 h, giving poly(amic acid)s with inherent viscosities up to 0.58 d…
We report a combined experimental and theoretical study of the unoccupied electronic states of the neutral molecular organic materials TTF (tetrathiafulvalene) and TCNQ (7,7,8,8-tetracyano-$p$-quinodimethane) and of the one-dimensional metallic charge transfer salt TTF-TCNQ. The experimental density of states (DOS) is…
The molecular inorganic compound 1,3,5-{ trans -[RuCl(dppe) 2 ]C⋮C-4-C 6 H 4 C⋮C} 3 C 6 H 3 ( 1 ) is reversibly oxidized in solution using an optically transparent thin-layer electrochemical (OTTLE) cell, the oxidation to 1 3+ resulting in the appearance of a strong absorption band at 11 200 cm -1 in contrast to 1, wh…
The influence of stoichiometry on the elastic modulus of eight-functional end-linked poly(dimethylsiloxane) (PDMS) networks was investigated by extensional rheometry with extensions up to more than 100%, and the stress−strain relation was found to be almost linear a characteristic property for a network structure with…
Iron(II) porphyrin nitrosyl complexes are obtained in high yields from the reaction of iron(III) porphyrins with the nitroxyl donors sodium trioxodinitrate and toluensulfohydroxamic acid. The reaction was found to proceed both in organic solvents and in aqueous media from iron(III) (meso-tetraphenyl) porphyrinate ([Fe…
High-molecular-weight poly(ethylene oxide)s are utilized for a wide variety of different applications. Here we present a new strategy for the large-scale synthesis of modified metallosupramolecular poly(ethylene oxide)s on the basis of the metal-induced self-assembly of bis(2,2‘:6‘,2‘ ‘-terpyrid-4‘-yl)-poly(ethylene o…
Gliadins and glutenins were extracted from commercial wheat gluten on the basis of their extractability in ethanol and used to produce film-forming solutions. Films cast using these gliadin- and glutenin-rich solutions were characterized. Glycerol was used as a plasticizer, and its effect on the films was also studied…
The measured drop of the effective bending stiffness of multiwalled carbon nanotubes (MWCNTs) with increasing diameter is investigated by a generalized local quasicontinuum method. The previous hypothesis that this reduction is due to a rippling mode is confirmed by the calculations. The observed ripples result from a…
Offering one of the field's most thorough treatments of material design principles, including a concise overview of fastener design, the Handbook of Mechanical Alloy Design provides an extensive overview of the effects of alloy compositional design on expected mechanical properties. This reference highlights the…
Mn-doped semiconductors are extremely interesting systems due to their novel magnetic properties suitable for the spintronics applications. It has been shown recently by both theory and experiment that Mn-doped GaN systems have a very high Curie temperature compared to that of Mn-doped GaAs systems. To understand the…
Cubic (zinc-blende) Ga1-xMnxN layers were grown by plasma-assisted molecular beam epitaxy on GaAs (001) substrates. Some of the structures also contained cubic AlN buffer layers. Auger Electron Spectroscopy and Secondary Ion Mass Spectroscopy studies clearly confirmed the incorporation of Mn into cubic GaN, the Mn bei…
We have investigated the structural and dielectric properties of ${\mathrm{Sr}}_{2}{\mathrm{TiO}}_{4},$ the first member of the ${\mathrm{Sr}}_{n+1}{\mathrm{Ti}}_{n}{\mathrm{O}}_{3n+1}$ Ruddlesden-Popper series, within density-functional theory. Motivated by recent work in which thin films of ${\mathrm{Sr}}_{2}{\mathr…
The origin of the photochromic properties of diarylethenes is a conical intersection (which we have located computationally), but we show that dynamics calculations are necessary to explain why the conical intersection is accessible, because the excited-state reaction path is not contained in the branching space defin…
We give a general method to calculate photonic band structure in the form of wave number $k$ as a function of frequency $ω$, which is required whenever we want to calculate signal intensity related with photonic band structure. This method is based on the fact that the elements of the coefficient matrix for the plane…