Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
Abstract Fibrous cellulose and maleated polyethylene (FC–MPE) composites were prepared under melt mixing by maleation of polyethylene (PE) to obtain maleic anhydride (MA) grafted PE (MPE) and successive compounding of the resultant MPE with fibrous cellulose (FC). When increasing the content of added MA to 2 wt %, the…
Genetic experiments in bacteria have shown the suf operon is involved in iron homeostasis and the oxidative stress response. The sufB and sufC genes that always occur together in bacteria are also found in plants, and even the malaria parasite, associated with the plastid organelle. Although the suf operon is believed…
The first integrally oxidized metal-free phthalocyanine compounds have been synthesized by chemical oxidation. Phthalocyanine (H(2)(pc), pc = phthalocyaninato) was oxidized with IBr to afford the compounds [H(2)(pc)][IBr(2)] (1) and [H(2)(pc)](2)[IBr(2)]BrAC(10)H(7)Br (2), whose structures were determined by means of…
We studied phase stability, structural properties, and electronic band structures of graphite fluorides ${\mathrm{C}}_{n}\mathrm{F}$ $(n=1,2,\dots{},6)$ using density-functional theory with local density approximation. The calculation shows that ${\mathrm{C}}_{n}\mathrm{F}$ with ${\mathrm{sp}}^{3}$ bonding has a direc…
The solid−liquid equilibrium (SLE) has been measured from 270 K to the melting temperature of the solid for eight binary mixtures of imidazoles (1 H -imidazole, 2-methyl-1 H -imidazole, 1,2-dimethylimidazole, benzimidazole, and 2-methylbenzimidazole) with either octan-1-ol or water using a dynamic method. The melting…
The $\mathrm{Pd}/\ensuremath{\alpha}\ensuremath{-}{\mathrm{Al}}_{2}{\mathrm{O}}_{3}(0001)$ interface at low Pd coverage has been studied by a variety of theoretical methods and models at this metal-oxide interface. All results are consistent and predict a noticeable interaction dominated by the metal polarization in r…
After an overview of the nature of molecular crystals, this review examines the techniques for the derivation of non-quantum chemical computational models of intermolecular interactions, the experimental data useful for calibration, the structural features of molecular crystals and their determination, and finally the…
Abstract The improvement of oxygen‐barrier properties of glassy polyesters by orientation was examined. Poly(ethylene terephthalate) (PET), poly(ethylene naphthalate), and a copolymer based on PET in which 55 mol % of the terephthalate was replaced with bibenzoate (PET‐BB55) were oriented by constrained uniaxial stret…
Abstract The synthesis and characterization of novel polymerized high internal‐phase emulsions (polyHIPE) materials are described. Homogeneous, highly porous, low‐density, open‐cell crosslinked copolymers were prepared by polymerizing the continuous phase of HIPE containing styrene and varying amounts of 2‐ethylhexyl…
We propose a simple model of charge transport that predicts the conducting properties of disordered materials. The transport of charge is assumed to occur by trapping and detrapping of electrons in localized states and diffusion via a conduction-band level. The input is an arbitrary density of localized states (DOLS)…
Abstract The crystallinity of isotactic polypropylene (iPP), when deformed with plastic plane‐strain compression, was studied with wide‐angle X‐ray scattering (WAXS) and differential scanning calorimetry (DSC) techniques. A comparison of the obtained crystallinity data with annealed iPP samples was performed. The mate…
Apolar organic suspensions of rodlike cellulose whiskers modified by a surfactant are investigated by small angle neutron scattering. Guinier and Porod analyses are performed to characterize the increase of cross-sectional radius of gyration observed between organic and aqueous suspensions of whiskers. In addition, a…
We initiate the development of a theory of the elasticity of nanoscale objects based upon new physical concepts which remain properly defined on the nanoscale. This theory provides a powerful way of understanding nanoscale elasticity in terms of local group contributions and gives insight into the breakdown of standar…
The electronic structure of the $(2\sqrt{2}\times\sqrt{2})R45^{\circ}$ O/Cu(001) system has been calculated using locally self-consistent, real space multiple scattering technique based on first principles. Oxygen atoms are found to perturb differentially the long-range Madelung potentials, and hence the local electro…
The optical properties of point defects in as-grown natural silica are reviewed. Two emissions peaked at 4.2 eV ($α_E$ band) and at 3.1 eV ($β$ band), related to an absorption band at 5.1 eV ($B_{2β}$), have been experimentally investigated on the basis of their temperature dependence and their kinetic decay. Our resu…
Nanocomposites were prepared from waxy maize starch plasticized with sorbitol as the matrix and a stable aqueous suspension of tunicin whiskers-an animal cellulose-as the reinforcing phase. The composites were conditioned at different relative humidity levels. The conditioned films were characterized using scanning el…
We studied various gas molecules (NO 2 , O 2 , NH 3 , N 2 , CO 2 , CH 4 , H 2 O, H 2 , Ar) on single-walled carbon nanotubes (SWNTs) and bundles using first principles methods. The equilibrium position, adsorption energy, charge transfer, and electronic band structures are obtained for different kinds of SWNTs. Most m…
Abstract The effects of ultrasonic irradiation on crystallization behavior of polypropylene (PP)‐loaded fillers with nucleating activities, such as sodium benzoate, talc (P), talc (A), and mica, are examined. DSC and WAXD analyses demonstrate that the crystalline structure of PP is changed through ultrasonic vibration…
The isolation and identification of the first examples of anhydrous lanthanide chloride tetraphenylporphyrin complexes have been described. The purple complexes were generated by the reaction of dilithiotetraphenylporphyrin bis(dimethoxyethane) with lanthanide trichloride tris(tetrahydrofuran) salts to yield the produ…
High-throughput methods are utilized in the discovery and optimization of heterogeneous catalyst formulations that promote single-walled carbon nanotube (SWNT) synthesis. Catalyst compositions, substrates, and reaction conditions are varied to efficiently investigate SWNT growth by chemical vapor deposition (CVD). A r…