Materials Literature
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We investigate the electronic structure and magnetic properties of AIN-, AIP-, AlAs-, AlSb-, InN-, InP-, InAs-, and InSb-based dilute magnetic semiconductors (DMS) with Mn impurities from first-principles. The electronic structure of DMS is calculated by using the Korringa-Kohn-Rostoker coherent potential approximatio…
Embedded Ni(x)O(x) clusters (x = 4-12) have been studied by the density-functional method using compensating point charges of variable magnitude to calculate the ionic charge, bulk modulus, and lattice binding energy. The computations were found to be strongly dependent on the value of the surrounding point charge arr…
The crystal and magnetic structures of the specified CMR manganite system have been studied as a function of $y=(0.2--1)$ across the metal-insulator (MI) transition, and of the oxygen mass ($^{16}\mathrm{O}$, $^{18}\mathrm{O}$). We quantitatively show how the polaronic narrowing of the carrier bandwidth and the crysta…
Gold nanoparticles (Au NPs) were prepared and surface-modified by mercaptosuccinic acid (MSA) to render a surface with carboxylic acid groups (MSA-Au). Octadecylamine (ODA) was used as a template monolayer to adsorb the Au NPs dispersed in the subphase. The effect of MSA concentration on the incorporation of Au NPs on…
The partial oxidation of styrene, styrene oxide, and phenylacetaldehyde were investigated on the Ag(110) surface by temperature-programmed reaction spectroscopy. The reactions of these species appear to proceed through the oxametallacycle intermediate. In contrast to the formation of styrene oxide observed on Ag(111)…
We report on the first soft x-ray resonant powder diffraction experiments performed at the Ni L 2,3 edges of PrNiO 3 . The temperature, polarization and energy dependence of the (1/2 0 1/2) reflection indicates a magnetic origin for the signal. This experiment demonstrates that x-ray resonant magnetic powder diffracti…
Abstract Four dinickel complexes [L 1 Ni 2 (μ‐Cl)(Cl) 2 ] · 2CH 3 OH ( 1a ), [L 1 Ni 2 (μ‐Cl)(CH 3 OH)](ClO 4 ) 2 ( 1b ), [L 2 Ni 2 (μ‐Cl)Cl 2 (H 2 O) 2 ] · H 2 O ( 2 ) and [L 3 Ni 2 Cl 2 (CH 3 OH) 2 ]Cl · 2CH 3 OH ( 3 ) were synthesized and structurally characterized. The ligand scaffolds have a central pyrazolato br…
Acrylic polymer-silica hybrid emulsions were synthesized from both anionic and cationic polymer emulsions by simple post-addition of tetraethoxysilane as a silica precursor. Solvent resistance of the films from the hybrid emulsions and the zeta-potential of the hybrid emulsions suggested the different forms of silica…
Focusing on the off-critical condition, the quench depth dependence of surface-directed phase separation in the polymer binary mixture is numerically investigated by combination of the Cahn-Hilliard-Cook theory and the Flory-Huggins-de Gennes theory. Two distinct situations, i.e., for the wetting, the minority compone…
Lattice modulation expected for various types of spiral magnetic ordering with a propagation vector Q m is discussed in terms of the symmetric ( S i · S j type) and antisymmetric ( S i × S j type) exchange interactions between neighboring spins ( S i and S j ). We show that the conical ordering causes the superlattice…
The luminescence from the neptunyl(VI) ion and its polyoxometallate complexes has been investigated in solution for the first time. Emission occurs in the near-IR and is quenched effectively by O−H oscillators in the hydrated ion. The polyoxometallate complexes exclude solvent from the neptunyl coordination sphere and…
Biphasic titanium alloys are preferred materials for load-bearing metallic implants such as artificial joints. A comprehensive understanding of the electron-transfer behavior of the native oxide layer on these materials is of great significance for improving the biocompatibility of such alloys. The combined use of dif…
Interest in macrocyclic lanthanide complexes such as DOTA is driven largely through interest in their use as contrast agents for MRI. The lanthanide tetraamide derivatives of DOTA have shown considerable promise as PARACEST agents, taking advantage of the slow water exchange kinetics of this class of complex. We postu…
Abstract Nickel(II), palladium(II), zinc(II) and copper(II) complexes of new constrained 2,2′‐bidipyrrin ligands (H 2 BDP) with a peripheral eight‐membered ring were prepared and examined with respect to coordination modes and conformation. Ni II and Pd II ions form mononuclear complexes with a distorted square‐planar…
Potential nanoparticle precursors: Triphenylmethylamine (TritylNH2) and various sulfonic acids (RSO3H; R=phenyl in the space-filling representation) assemble into [4+4] ion-pair clusters in the solid state and in solution. The shapes and sizes of these clusters are controlled by the sulfonic acid substituents. Fabrica…
2267-2270
Abstract In his article a special form of gradient elasticity is presented that can be used to describe wave dispersion. This new format of gradient elasticity is an appropriate dynamic extension of the earlier static counterpart of the gradient elasticity theory advocated in the early 1990s by Aifantis and co‐workers…
Enantioselective segregation has been attained in the Bx phase of a novel substituted oxadiazole achiral banana-shaped liquid crystal (LC) without introducing any chiral species. This bent-core molecule exhibits LC polymorphism; the higher temperature nematic (N) phase and the lower temperature banana smectic phase (B…
Abstract Four new dinuclear Mn III complexes with the general formula [{Mn(bpy)L}(μ‐RCOO) 2 (μ‐O){Mn(bpy)L′}] n+ (bpy =2,2′‐bipyridine) have been synthesized with RCOO = 2‐MeC 6 H 4 COO ( 1 , 2 ) and 2‐FC 6 H 4 COO ( 3 , 4 ); the counteranion could be NO 3 – ( 1 , 3 ) or ClO 4 – ( 2 , 4 ), and a monodentate ligand (L,…
In this work, we studied the effect of connecting units in three generations of two series of dendritic molecules on the structural properties and the complexation behavior based on hydrogen bonding between the dendrimer cores and two different guest molecules. Our molecular simulations revealed that the geometry of t…