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。
We investigated the effect of the curvature in lithium storage at single-walled carbon nanotubes, with both ab-initio and Molecular Dynamics simulations. Our results show that the carbon rings of nanotubes develop strong cation-pi- interactions with Li ion. These interactions result in positioning the alkali metal cat…
Polymer-embedded silver clusters have been prepared by thermal decomposition of silver dodecylmercaptide previously dissolved in amorphous polystyrene. The morphology and structure of silver clusters have been determined by transmission electron microscopy (TEM) and large angle X-ray diffractometry (XRD), respectively…
The lifetime of phonon modes undergoing three-phonon interactions in single-wall carbon nanotubes has been calculated. The calculations are based upon an approach using Fermi's golden rule and a quasielastic continuum model for the anharmonic potential. In deriving the relaxation-rate equation, the effects of both nor…
Recent work on coarse-grained representations of interacting homopolymers and diblock copolymers in solution is briefly reviewed. Long homopolymer chains are modelled as ‘ultrasoft colloids’, with the effective interaction between their centres of mass (CM) determined by averaging over polymer conformations for fixed…
We have investigated the phase behavior of the R(F)(7)(EO)(8) surfactant in water as well as the effect of the solubilization of various fluorocarbons in this system. Results show that the cloud point (CP) curve is shifted to high temperatures upon addition of fluorocarbons, following the sequence 1-bromo-perfluorooct…
We develop a free-energy functional for an inhomogeneous system that contains both symmetry conserved and symmetry broken parts of the direct pair correlation function. These correlation functions are found by solving the Ornstein-Zernike equation with the Percus-Yevick closure relation. The method developed here give…
A screw dislocation in strontium titanate has been studied taking benefit of negative spherical aberration-imaging in a spherical aberration-corrected transmission electron microscope. The core structure of the dislocation is atomically resolved with respect to both cation and oxygen columns by the inclusion of the ce…
Plastic bending of single-wall carbon nanotubes is analyzed using minimum energy path calculation with a bond-order potential. The calculation demonstrates that plastic deformation is only thermodynamically favorable above a threshold ``yield curvature'' ${\ensuremath{\rho}}_{\mathrm{yield}}$, and is kinetically feasi…
Neutron diffraction measurements under high magnetic fields in multiferroic HoMn 2 O 5 have revealed a clear relationship between microscopic magnetism and field-induced ferroelectricity. The applied magnetic field induces a first-order phase transition from an incommensurate magnetic order to a commensurate magnetic…
The synthesis and conformational properties of folded dendrons based on a 2-methoxyisophthalamide (2-OMe-IPA) repeat unit are described. The hydrodynamic properties of dendrons preorganized via the syn-syn conformational preference of 2-methoxyisophthalamide are compared with 2,6-pyridinedicarboxamide (2,6-pydic) anal…
Einladende Rundungen: Unilamellare Liposome, die Porphyrin-Photokatalysatoren enthalten, werden zur Erzeugung kugelförmiger Platin-Nanokäfige genutzt. Die porösen hohlen Nanokügelchen entstehen durch Verknüpfung vieler kleiner dendritischer Platin-Nanoschichten, die im Zwischenraum der liposomalen Doppelschicht wachse…
We have investigated the formation of cross-links between neighboring carbon nanotubes within a bundle. Classical molecular dynamics was used to follow the evolution of the system when it is bombarded by low-energy carbon atoms. We show that it is possible to polymerize carbon nanotubes through irradiation and discuss…
Aspartame has three pseudo-polymorphic forms, two hydrates and a hemi-hydrate, for which crystal structures were determined from single-crystal diffraction data. This paper presents the crystal structure of the anhydrate, which was obtained by dehydrating the hemi-hydrate. The crystal structure of aspartame anhydrate,…
Methionine sulfoxide reductases (Msrs) are ubiquitous enzymes that reduce protein-bound methionine sulfoxide back to Met in the presence of thioredoxin. In vivo, the role of the Msrs is described as essential in protecting cells against oxidative damages and as playing a role in infection of cells by pathogenic bacter…
One-dimensional (1D) zinc oxide (ZnO) hierarchical structures have been self-assembled on amorphous carbons using thermal chemical vapour transport and condensation. Three typical micro- and nanostructures consisting of micrometre-sized rods and nanometre-sized needles were observed. Growth mechanisms were established…
Interactions of aqueous solutions of aluminum polyoxocations (Al13-mers and Al30-mers) and aluminum hydroxide suspensions of varying particle sizes (26, 55, and 82 nm) with a model protein, bovine serum albumin (BSA), have been investigated using potentiometry, conductometry, viscometry, 27Al solution NMR, UV-vis spec…
A hexa-peri-hexabenzocoronene carrying six long, branched alkyl chains has been processed in nano- and macroscopic pore templates. An extraordinary self-organization of this material was observed within macroscopically large glass capillaries after cooling from the isotropic phase. Thereby, the columnar structures wer…
Detailed brushwork: Structurally and thermodynamically similar cross-linkers have opposite effects on the lateral resistance of grafted thin films of poly(4-vinylpyridine) brushes. The chemically reversible changes in mechanics are influenced by the dissimilar kinetics of the cross-linking interaction.
Weakly charged solid substrates can be nano-patterned in liquid-like order with large and well-defined spacing by adsorbing poly(amido amine) (PAMAM) dendrimers; highly charged substrates lead to lower spacing due to electrostatic three-body attractions between the dendrimers and the substrate.
In an effort to elucidate the variation of the electronic structure as a function of oxidation and composition, we investigated an extensive series of dichromium oxide clusters, Cr2On- (n=1-7), using photoelectron spectroscopy (PES). Well-resolved PES spectra were obtained at several photon energies. While low photon…