Materials Literature
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A large mesoporous γ-alumina was fabricated through a thermal process without postaddition of molecular or organic solvents at ambient pressure in an open container by using the dual functions of 1-hexadecyl-3-methylimidazolium chloride (C 16 MimCl) as room-temperature ionic liquids (RTILs), i.e., templating and cosol…
Density functional calculations are used to calculate the structural and electronic properties of $\mathrm{Ba}\mathrm{Re}{\mathrm{H}}_{9}$ and to analyze the bonding in this compound. The high coordination in $\mathrm{Ba}\mathrm{Re}{\mathrm{H}}_{9}$ is due to bonding between Re $5d$ states and states of $d$-like symme…
The effect of external pressure on the magnetic properties and magnetocaloric effect of polycrystalline compounds DyCo 2 and Er(Co 1− x Si x ) 2 ( x = 0,0.025 and 0.05) has been studied. The ordering temperatures of both the parent and the Si-substituted compounds are found to decrease with pressure. In all the compou…
Based on molecular dynamics simulations of a lithium metasilicate glass we study the potential of bond valence sum calculations to identify sites and diffusion pathways of mobile Li ions in a glassy silicate network. We find that the bond valence method is not well suitable to locate the sites, but allows one to estim…
A model of coherent tunneling, which combines multiorbital tight-binding approximation with Landauer-B\"uttiker formalism, is developed and applied to all-semiconductor heterostructures containing (Ga,Mn)As ferromagnetic layers. A comparison of theoretical predictions and experimental results on spin-dependent Zener t…
The polyol method was employed for the first time to synthesize cuprous oxide nanowires using only a precursor of Cu(II) acetate monohydrate and diethylene glycol (DEG). With careful control of the reaction temperature (190 °C), the precursor concentration (0.01−0.1 mol/L), and the reaction time (6 h), we prepared Cu…
A series of poly(ether urethane) networks were synthesized from epoxidized methyl-oleate-based polyether polyol and 1,3-propandiol using l-lysine diisocyanate as a nontoxic coupling agent. Polyurethanes with different hard segment contents were prepared to tune the final properties of the materials. The polyurethanes…
The magneto-impedance (MI) in amorphous ribbon of nominal composition Fe73.5Nb3Cu1Si13.5B9 has been measured at 1MHz and at room temperature for different configurations of exciting a.c and biasing d.c. fields. A large drop in both resistance and reactance is observed as a function of d.c magnetic field. When the d.c…
With special topology differing from nanotubes, carbon nanoscrolls (CNSs) rolled up by a single graphene sheet show unique properties and have potential applications in hydrogen storage and energy storage. We studied various types of nanoscrolls by using first principle calculation. The minimum innermost radius of arm…
The atomic and electronic structures of the tri-fluorophenyl2 (TFP2) liquid crystal (LC) molecule anchored on a carbon nanotube (CNT) wall were investigated by using density functional calculations. The TFP2 LC molecule was anchored helically to the CNT wall to enhance π−π stacking by maximizing the hexagon−hexagon in…
People have been familiar with the phenomenon of wave refraction for several centuries. Recently, a novel type of refraction, i.e., negative refraction, where both incident and refractory lines locate on the same side of the normal line, has been predicted and realized in the context of linear optics in the presence o…
Understanding of macromolecular materials at the molecular level is becoming increasingly important for a new generation of nanomaterials for nanobiotechnology and other disciplines, namely, the design, synthesis, and fabrication of nanodevices at the molecular scale from bottom up. Basic engineering principles for mi…
We present the theory of interaction between a polar vibration in a semiconductor and an electromagnetic mode of a surrounding cavity. Tuning the cavity frequency near the transverse optical phonon frequency couples the phonon-induced polarization field within the dielectric and the electromagnetic field in the cavity…
We discuss the influence of the superconducting transition in a film on the fluorescence spectrum of a single molecule located nearby. We show that single molecule spectroscopy (SMS) should be an appropriate tool to detect the electric charge associated with a vortex line. Also we argue that an electric field must app…
The structural and electronic properties of the wurtzite phase of the InAs and GaAs compounds are, for the first time, studied within the framework of Density Functional Theory (DFT). We used the full-potential linearized augmented plane wave (LAPW) method and the local density approximation (LDA) for exchange and cor…
This paper uses chemical shift surfaces to simulate experimental (13)C cross polarization magic angle spinning spectra for amorphous solid state disaccharides, paying particular attention to the glycosidic linkage atoms in trehalose, sucrose, and lactose. The combination of molecular mechanics with density functional…
A theory for the vibrational dynamics in disordered solids [W. Schirmacher, Europhys. Lett. {\bf 73}, 892 (2006)], based on the random spatial variation of the shear modulus, has been applied to determine the wavevector ($k$) dependence of the Brillouin peak position ($Ω_k)$ and width ($Γ_k$), as well as the density o…
The resistive and reactive components of magneto-impedance was studied for the as-quenched and microwave annealed amorphous Fe73.5Nb3Cu1Si13.5B9 ribbon as a function of biasing d.c magnetic fields (-60 to +60 Oe) and excitation frequencies (0.1, 1, 10 and 20MHz). The magneto-impedance (both components) response was mu…
The size-dependent saturation magnetization M s ( D ) of ferromagnetic and ferrimagnetic nanocrystals at room temperature, without free parameters, has been predicted in terms of a size-dependent cohesive energy model, where D denotes the diameter of nanoparticles or the thickness of thin films. The given M s ( D ) fu…
Abstract Novel hierarchical ZnO nanostructures, porous ZnO nanobelts, and nanoparticle chains are prepared from a precursor of synthetic bilayered basic zinc acetate (BLBZA) nanobelts. BLBZA nanobelts are obtained by a simple synthetic route under mild conditions. X‐ray diffraction, scanning electron microscopy, trans…