Materials Literature
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Thermal decomposition of the respective trisulfides in a reducing (H2/inert gas) atmosphere has enabled nanotubes of HfS2, ZrS2, and TiS2 to be synthesized and characterized. The dimensions of the nanotubes formed depend on the Group 4 metal used. The transmission electron micrograph image shows nanotubular structures…
Casting silica nets: By repeated “nanocasting” it is possible to first obtain a negative of the SBA-15 structure, known as CMK-3, which is then used to produce another nanocast by impregnation with tetraethoxysilane and condensation. After calcination to remove the carbon, an ordered mesoporous silica is obtained, cal…
We study theoretically a binary system in which an attraction of unlike particles is combined with a type-independent soft-core repulsion. The possible experimental implementation of the system is a mixture of DNA-covered colloids, in which both the repulsion and the attraction may be induced by DNA solution. The syst…
A fluorine-containing polyimide (PI) has been used as a substrate for a flexible organic electroluminescent device. An indium tin oxide (ITO) thin film on the PI substrate is shown to yield a high performance for the device, comparable to that of devices with conventional ITO-coated glass substrates. The Figure shows…
The polarization and the susceptibility of a ferroelectric multilayer with a non-ferroelectric slab are investigated within the framework of transverse Ising model with a four-spin interaction term. The effect of the thickness and the position of the non-ferroelectric slab are investigated in this paper. We find that…
The surface magnetic canting (SMC) of a semi-infinite film with ferromagnetic exchange interaction and competing bulk and surface anisotropies is investigated via a nonlinear mapping formulation of mean-field theory previously developed by our group [L. Trallori et al., Int. J. Mod. Phys. B 10, 1935-1988 (1996)], and…
We have made a series of gradient-corrected relativistic full-potential density-functional calculation for Ca-substituted and hole-doped SrRuO$_3$ in para, ferro, and $A$-, $C$-, and $G$-type antiferromagnetic states. Magnetic phase-diagram data for Sr$_{1-x}$Ca$_x$RuO$_3$ at 0 K are presented. Neutron diffraction mea…
We investigate the homogeneous linewidth of localized type-I excitons in type-II GaAs/AlAs superlattices. These localizing centers represent the intermediate case between quasi-two-dimensional (Q2D) and quasi-zero-dimensional localizations. The temperature dependence of the homogeneous linewidth is obtained with high…
We report the electronic structure and magnetic ordering of the single molecule magnet $[{\mathrm{Mn}}_{10}{\mathrm{O}}_{4}{(2,2}^{\ensuremath{'}}\ensuremath{-}\mathrm{biphenoxide}{)}_{4}{\mathrm{Br}}_{12}{]}^{4\ensuremath{-}}$ based on first-principles all-electron density-functional calculations. We find that two of…
How can optimum long-range order be achieved by self-assembly of polystyrene/polymethylmethacrylate (PS/PMMA) block copolymers? Here the film thickness, annealing temperature, annealing time, and molecular weight are varied to derive optimum values for these parameters. The Figure shows SEM images of the microstructur…
We combine molecular dynamics simulations of deformation at the submicron scale with a simple continuum fracture mechanics model for the onset of crack propagation to calculate the macroscopic fracture energy of amorphous glassy polymers. Key ingredients in this multiscale approach are the elastic properties of polyme…
The gas of the interacted electrons is usually described within Kohn-Sham approximation by the set of Poisson and Schrödinger equations with an effective potential for the single-particle wave functions. The solution of these equations should give the self-consistent electron density distribution and Coulomb potential…
Thermodynamically stable, but kinetically labile: Trigonal-prismatic M3L2 metallocages occur in [BF4⊂{Ag3(MsTBim)2}](BF4)2 (1) and [{CuI3⊂[Cu3(MsTBim)2]}2](Cu2I4) (2), the latter with an unprecedented metal-complex-host/metal-complex-guest arrangement. Large anions such as CF3SO3− or BPh4− have to reside outside the c…
Using a variety of optical probe techniques we studied the steady state and transient dynamics of charged and neutral photoexcitations in thin films of poly-3-alkyl thiophene with regioregular order, which forms self-assembled lamellae structures with increased interchain interaction, as well as regiorandom order that…
Hollow polyaniline microspheres have been synthesized from a monomeric aniline-based template, which makes template removal unnecessary. The template for the microstructures is an aniline emulsion with β-naphthalenesulfonic acid (NSA) as dopant, and ammonium persulfate (APS) as oxidizer. The Figure is a TEM image of p…
Colloidal inks, comprised of silica microspheres with tailored attractive interactions between them, have been directly assembled via a robotically controlled deposition technique. 3D periodic lattices, whose periodicity far exceeds the dimensions of the colloidal building blocks (see Figure for a cross-sectional imag…
The grain size dependence of the “giant dielectric effect” in CaCu3Ti4O12 ceramics (arising from a semiconducting grain/insulating grain boundary microstructure) has been revealed by impedance spectroscopy of ceramics sintered for 3 h (see Figure, left) and 24 h (see Figure, right); a rise in permittivity from 9000 to…
Polymers can be theoretically and computationally described by models pertaining to different length scales and corresponding time scales. These models have traditionally been used independently of each other. Recently, considerable progress has been made in systematically linking models of different scales. This Revi…
Inorganic nanostructures that interface with biological systems have recently attracted widespread interest in biology and medicine. Nanoparticles are thought to have potential as novel intravascular probes for both diagnostic (e.g., imaging) and therapeutic purposes (e.g., drug delivery). Critical issues for successf…
We study effects of an oxygen vacancy on the electronic state of the CuO 2 plane in the normal state, on the basis of the d – p model. We calculate the local density of states at copper sites and oxygen sites around the p x -oxygen vacancy, at T = T c . The spatial distribution has a shape which oscillates along the d…