Materials Literature
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Self-assembled lamellar structures composed of block copolymers are simulated by molecular dynamics. The response of a bulk system to external shear is investigated, in particular, the average energy, the entropy production, and the stability of the lamellae's orientation. We distinguish two orientations, a parallel o…
High-density polyethylene with shish-kebab structure, prepared by a melt extrusion drawing, was employed to investigate the effect of the well-defined lamellar orientation on the deformation characteristics under uniaxial tensile deformation along the drawing direction. This was done by investigating the true stress−t…
In some polymers, in addition to the usual structural alpha relaxation, a slower alpha' relaxation is observed with a non-Arrhenius temperature dependence. In order to understand better the molecular origin of this alpha' relaxation in poly(methylphenylsiloxane) (PMPS) we have studied, for the first time, the pressure…
9,10-Phenanthrenequinone (PQ) and 1,10-phenanthroline-5,6-dione (PTQ) form 1:1 and 2:1 complexes with metal ions (M (n+)=Sc (3+), Y (3+), Mg (2+), and Ca (2+)) in acetonitrile (MeCN), respectively. The binding constants of PQ--M (n+) complexes vary depending on either the Lewis acidity or ion radius of metal ions. The…
A change of behavior: Deposition of atomic oxygen on Au nanoparticles larger and smaller than about 0.7 nm (as determined by STM, see image) in height results in the formation of oxygen species that exhibit very different oxidation behaviors toward CO at room temperature. X-ray photoelectron spectroscopy has been used…
Abstract Carbon nanotube/poly( p ‐phenylene benzobisoxazole) (CNT/PBO) composite fibres were prepared by in situ polymerization and dry‐jet wet spinning. The structure and properties of the CNT/PBO fibres were investigated. FTIR and viscosity measurements showed that the functional groups on the CNT surface took part…
Abstract Thermal dehydration process of calcium oxalate monohydrate, CaC 2 O 4 · H 2 O, was reinvestigated from a viewpoint of reaction kinetics. On the basis of data of thermogravimetry, kinetic analysis was performed under nonisothermal conditions using an integral composite procedure, which includes a integral isoc…
Abstract Summary: A conceptual model for degradation of polymer‐clay brushes is discussed. The model predicts enhancement of inter‐molecular reactions and slowing down of molecular mobility. A polystyrene (PS)‐clay brush system is experimentally compared with virgin PS under the conditions of thermal and thermo‐oxidat…
We analyze distributions of exciton populations in PbSe nanocrystal (NC) ensembles as a function of excitation wavelength. For photon energies that result in carrier multiplication, these distributions are non-Poissonian and are characterized by two dominant exciton multiplicities that are determined by the ratio of p…
Generalized gradient approximation (GGA)+U calculations for LaCoO3 confirm the existence of a stationary state composed of a mixture of the low spin (LS) and high spin (HS) Co3+ ions in a 1:1 ratio, which is of insulating character. At low temperatures, this state is located about 25 meV above the homogeneous LS groun…
Cross-shaped and octahedral nanoparticles (hexapods) of MnO in size, and fragments thereof, are created in an amine/carboxylic acid mixture from manganese formate at elevated temperatures in the presence of water. The nanocrosses have dimensions on the order of 100 nm, but with exposure to trace amounts of water durin…
Molecular self-assembly at equilibrium is fundamental to the fields of biological self-organization, the development of novel environmentally responsive polymeric materials, and nanofabrication. Our approach to understanding the principles governing this process is inspired by existing models and measurements for the…
An organic-inorganic hybrid support has been synthesized by covalently anchoring an N-octyldihydroimidazolium cation fragment onto SiO2 (denoted as 1-SiO2). This modified support was characterized by solid-state 13C, 29Si, and 31P NMR spectroscopy, IR spectroscopy, and elemental analysis. The results showed that the s…
Based on our recent work on quantum transport [Li et al., Phys. Rev. B 71, 205304 (2005)], where the calculation of transport current by means of quantum master equation was presented, in this paper we show how an efficient calculation can be performed for the transport noise spectrum. Compared to the longstanding cla…
Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range coulombic tail. This allows us to construct an analytic local-spin-density excha…
We propose a method for deterministic implantation of single atoms into solids which relies on a linear ion trap as an ion source. Our approach allows a deterministic control of the number of implanted atoms and a spatial resolution of less than 1 nm. Furthermore, the method is expected to work for almost all hemical…
Lattice modulation and magnetic structures in magnetoelectric compounds Tb1-xDyxMnO3 have been studied around the ferroelectric (FE) Curie temperature TC by x-ray and neutron diffraction. Temperature-independent modulation vectors through TC are observed for the compounds with 0.50 <or=x<or=0.68. This indicates that f…
The commensurate and incommensurate magnetic structures of the magnetoelectric system YMn2O5, as determined from neutron diffraction, were found to be spin-density waves lacking a global center of symmetry. We propose a model, based on a simple magnetoelastic coupling to the lattice, which enables us to predict the po…
The first non-metal tricyanomelaminates have been synthesized via metathesis reactions and characterized by means of single-crystal X-ray diffraction and vibrational and solid-state NMR spectroscopy. The crystal structures of [NH 4 ] 2 [C 6 N 9 H] ( 1 ) ( P 2 1 / c, a = 1060.8(2) pm, b = 1146.2(2) pm, c = 913.32(18) p…
We report here a relatively low temperature (100-180 degrees C) synthetic route to high-quality and single-crystalline CdSe nanowires using air-stable and generic chemicals. The diameter of nanowires was controlled and varied in an exceptionally small size regime, between 1.5 and 6 nm. This was achieved by using alkyl…