Materials Literature
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The electronic structures of pure and Co 2+ -doped ZnO quantum dots (QDs) with sizes up to 300 atoms were investigated using three different density functional theory approximations: local spin density approximation (LSDA), gradient-corrected Perdew–Burke–Ernzerhof (PBE) and the hybrid PBE1 functionals with LANL2DZ ps…
A novel series of thermally stable blue light emitting quateraryls with a piperidine donor and a nitrile acceptor was prepared from a ketene- S, S-acetal under mild conditions without using an organometal catalyst. The performance of a blue quateraryl 6e was investigated by fabricating a multilayer OLED with a configu…
Compositional dependences of the optical and physical properties of as-deposited amorphous SbxGe25?xSe75 films (x = 0, 5, 10, 15 and 20?at%), prepared by thermal evaporation, have been studied. The refractive index, n, and film thickness, d, have been determined from the upper and lower envelopes of the transmission s…
Summary Hydrochemical processes involved in the development of hydromorphic Podzols are a major concern for the upper Amazon Basin because of the extent of the areas affected by such processes and the large amounts of organic carbon and associated metals exported to the rivers. The dynamics and chemical composition of…
Modeling the properties of high-nuclearity, high-electron-population, mixed-valence (MV) magnetic systems remains one of the open challenges in molecular magnetism. In this work, we analyze the magnetic properties of a series of polyoxovananadate clusters of formula [V 18O 42] (12-) and [V 18O 42] (4-). The first comp…
We report a member of ices called plastic or rotator phase, in which individual water molecules make facile rotations as in liquid state but are held tightly in an ordered structure. Molecular dynamics simulations of three classical models of water show that a plastic ice phase appears at a temperature when ice VII is…
In order to improve the absorbing properties of the electromagnetic wave absorbing plate, double-layer wave absorbing materials, which are composed of a matching layer and an absorbing layer, were devised. The matching layer is a surface layer of the wave absorbing sample, from which most of the incident waves easily…
Our microscopic stochastic nonlinear Langevin equation theory of activated dynamics has been employed to study the real-space van Hove function of dense hard sphere fluids and suspensions. At very short times, the van Hove function is a narrow Gaussian. At sufficiently high volume fractions, such that the entropic bar…
We studied the dynamics of photoluminescence (PL) and energy transfer in close-packed monolayer films of CdSe and Au nanoparticles (NPs) assembled using the Langmuir-Blodgett technique. The PL intensity and dynamics depended on the ratio of CdSe to Au NPs in the mixed films. The PL quenching of CdSe NPs occurs through…
Peptide RATEA16 spontaneously self-assembled into higher-order nanofiber hydrogels with extremely high water content (>99.5% (wt/vol)) under physiological condition. The hydrogels could undergo pH-reversible transitions from viscous solution to elastic hydrogel and to precipitate. The supramolecular self-assembly and…
Purpose The purpose of this paper is to investigate the effect of Raphia hookeri exudate gum and halide ions on the corrosion inhibition of aluminium in HCl solutions at 30‐60°C and to study the mechanism of action. Design/methodology/approach The corrosion rates were determined using the gravimetric (weight loss), ga…
Four new sulfur-containing monomers consisting of cyclic dithiocarbonate, norbornene, and (meth)acrylate units were synthesized to develop high refractive index polymers with high Abbe’s numbers for optical lenses. A series of poly(meth)acrylates were successfully prepared by the radical polymerization of these monome…
The application of nanoparticles in the biomedical field is an exciting interdisciplinary research area in current materials science. In the present study, size-tunable and water-soluble noble metal silver nanoparticles (Ag NPs) have been successfully synthesized with the assistance of glutathione (GSH). The as-synthe…
We simulate the moving contact line in two-dimensional chemically patterned channels using a diffuse-interface model with the generalized Navier boundary condition. The motion of the fluid–fluid interface in confined immiscible two-phase flows is modulated by the chemical pattern on the top and bottom surfaces, leadin…
Epitaxial thin films of cobalt-doped ZnO (Co : ZnO) were deposited by pulsed laser deposition (PLD) on both c -plane and r -plane sapphire (Al 2 O 3 ). The films exhibited high structural quality with narrow x-ray diffraction (XRD) rocking curve peak widths. X-ray absorption spectroscopy (XANES and EXAFS) confirmed we…
ZnO doped with a few per cent (<10%) of magnetic ions such as Co exhibit room temperature (RT) ferromagnetism, transforming it into a very promising candidate for future spin electronic applications. We present x-ray magnetic circular dichroism (XMCD) spectroscopy, which has been used in total electron yield, total fl…
Electric and magnetic properties of a high-temperature ferromagnetic oxide semiconductor, cobalt-doped rutile TiO 2 , are summarized. Cobalt-doped rutile TiO 2 epitaxial thin films with different electron densities and cobalt contents were grown on r -sapphire substrates with laser molecular beam epitaxy. Results of m…
We propose a method, which enables precise control of magnetic patterns, relying only on the fundamental properties of the wire and the choice of the path in the controlled parameter space but not on the rate of motion along this path. Possible experimental realizations of this mechanism are discussed. In particular,…
Finite temperature orbital state in a ferromagnetic Mott insulator with triply-degenerate $t_{2g}$ orbital is investigated numerically. We employ the quantum Monte Carlo simulation with the loop algorithm. Indications for conventional staggered-type orbital order are not remarkable down to the lowest temperature to wh…
Using spin density functional theory we study the electronic and magnetic properties of atomically thin, suspended chains containing silver and oxygen atoms in an alternating sequence. Chains longer than 4 atoms develop a half-metallic ground state implying fully spin polarized charge carriers. The conductances of the…