Materials Literature
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Density-functional electronic structure studies of a prototype interface between a paramagnetic metal and an antiferromagnetic (AFM) insulator (CaRuO(3)/CaMnO(3)) reveal the exponential leakage of the metallic electrons into the insulator side. The leaked electrons in turn control the magnetism at the interface via th…
The mechanical properties of polyelectrolyte multilayer films built up with poly- l -lysine (PLL) and hyaluronan (HA) can be tuned using a chemical cross-linker. The present study is aimed at showing that the viscoelasticity can also be changed by exposing a (PLL/HA) m film alternatively to a solution of poly(sodium 4…
Abstract Solid oxide fuel cell (SOFC) development work at Forschungszentrum Juelich (FZJ) is extensive, ranging from fundamental materials' design through to near‐commercial prototype CHP systems. Considerable advances have been demonstrated in the past years concerning the improvement of device performance by identif…
High Resolution Image Download MS PowerPoint Slide Mo V −Mo VI mixed valence polyoxometalates (POMs), H 7 [β-P(Mo V ) 4 (Mo VI ) 8 O 40 ] ( 1 ), (NH 4 ) 10 [(Mo V ) 4 (Mo VI ) 2 O 14 (O 3 PCH 2 PO 3 ) 2 (H 2 OPCH 2 PO 3 ) 2 ]·15H 2 O ( 2 ), and [ε-P(Mo V ) 8 (Mo VI ) 4 O 36 (OH) 4 {La(H 2 O) 2.5 Cl 1.25 } 4 ]·27H 2 O…
Abstract In this study, thymine and melamine were introduced as nucleating agents for poly(3‐hydroxybutyrate‐ co ‐3‐hydroxyvalerates) (PHBVs) and poly(3‐hydroxybutyrate) (PHB), and their effects were compared with that of boron nitride (BN). Because the overall crystallization rate of PHBVs decreases significantly wit…
Abstract Multi‐walled carbon nanotubes (MWNTs) were functionalized with a silane coupling agent. The MWNTs were first coated with inorganic silica by a sol‐gel process and then grafted with 3‐methacryloxypropyltrimethoxysilane (3‐MPTS). The effect of raw MWNTs and silane‐functionalized MWNTs on the crystallization beh…
ABSTRACT This article focuses on developing a psychophysical model for sensory crispness and understanding the role of structure and phase behavior of the food polymer matrix in terms of affecting crispness. The core hypothesis of the article is that the number peaks during brittle fracture of food foams is the stimul…
Abstract Oxygen plasma processing of thermally cured PDMS films results in controlled surface nano‐texturing and wettability. Such treatment of thermally crosslinked PDMS produces spontaneously formed wavy structures on the surface with high nano‐scale amplitude and with periodicity of a few 100 nm. With increasing pl…
The design of self-assembled peptide-based structures for three-dimensional cell culture and tissue repair has been a key objective in biomaterials science for decades. In search of the simplest possible peptide system that can self-assemble, we discovered that combinations of di-peptides that are modified with aromat…
We present a technique for calculating the dielectric response of periodic metal-insulator heterostructures. This scheme allows the fully first-principles calculation of the microscopic properties of thin-film capacitors at finite bias potential. The method can be readily applied to pure insulators, where it provides…
The high-pressure structural behavior of lanthanum monochalcogenides is investigated by theory and experiment. Theory comprises density functional calculations of LaS, LaSe and LaTe with the general gradient approximation for exchange and correlation effects, as implemented within the full-potential linear muffin-tin…
We present calculations of the absorption spectrum of semiconductors and insulators comparing various approaches: (i) the two-particle Bethe-Salpeter equation of Many-Body Perturbation Theory; (ii) time-dependent density-functional theory using a recently developed kernel that was derived from the Bethe-Salpeter equat…
A curved two dimensional electron gas with spin-orbit interactions due to the radial confinement asymmetry is considered. At certain relation between the spin-orbit coupling strength and curvature radius the tangential component of the electron spin becomes a conserved quantity for any spin-independent scattering pote…
A combination of experimental techniques and molecular-dynamics computer simulation is used to investigate the diffusion dynamics in ${\mathrm{Al}}_{80}{\mathrm{Ni}}_{20}$ melts. Experimentally, the self-diffusion coefficient of Ni is measured by the long-capillary (LC) method and by quasielastic neutron scattering. T…
In situ transport measurements have been made on ultrathin ($<$100 Å thick) polycrystalline Fe films as a function of temperature and magnetic field for a wide range of disorder strengths. For sheet resistances $R_{xx}$ less than $\sim 3kΩ$, we find a logarithmic temperature dependence of the anomalous Hall conductivi…
Abstract In the presence of dicumyl peroxide, the compatibility of thermoplastic dry starch (DTPS)/poly(lactic acid) (PLA) blends, using maleic anhydride (MA) as compatibilizer, was investigated. The plasticization of starch and its compatibilizing modification with PLA was accomplished in a single‐screw extruder by o…
We have investigated magnetic and transport properties of 5% Co-doped and undoped ZnO thin films deposited on $r$ plane ${\mathrm{Al}}_{2}{\mathrm{O}}_{3}$ substrates by pulsed laser deposition. The Co doped films showed paramagnetic and ferromagnetic behavior as well as a high magnetoresistance and a small anomalous…
The structure, electronic, and magnetic properties of the Mo-doped perovskite La0.7Ca0.3Mn1-xMoxO3 (x < 0.1) have been studied. A significant increase in resistivity and lattice parameters were observed with Mo doping. A marginal decrease in the Curie temperature Tc and the associated metal-insulator transition Tp wer…
We reveal the hydrogen isotope effect of three chemical reactions, i.e, the reflection, the absorption and the penetration ratios, by classical molecular dynamics simulation with a modified Brenner's reactive empirical bond order (REBO) potential potential. We find that the reflection by pi-electron does not depend on…
We present scanning tunneling microscopy (STM) images of single-layer graphene crystals examined under ultrahigh vacuum conditions. The samples, with lateral dimensions on the micrometer scale, were prepared on a silicon dioxide surface by direct exfoliation of crystalline graphite. The single-layer films were identif…