Materials Literature
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First-principles study on the energetic stability, electronic structure, and magnetic coupling in Mn-doped silicon with various configurations has been performed systematically. The results show that the poly-Mn atoms prefer to aggregate in the Mn-doped silicon dilute magnetic semiconductor. It is found that the tetra…
Arsenic-doped ZnO (ZnO:As) films were grown by metal–organic chemical vapor deposition (MOCVD) on GaAs layers, which were deposited on sapphire substrates by sputtering using a GaAs target. The As doping was obtained by thermal diffusion. The ZnO:As films were annealed in nitrogen (ZnO:As:N 2 ) and oxygen (ZnO:As:O 2…
A straightforward enzymatic single-step route toward the synthesis of α,ω-functionalized polypentadecalactone (PPDL) macromonomers containing dithiol, thiol−acrylate, diacrylate, or dimethacrylate end groups has been developed. Two solvent-free approaches, mixing all components at start, using Candida antarctica lipas…
We report on the magnetic behavior of the oxygen deficient LaFeAsO 1− x ( x ∼0.10) compound, prepared by one-step synthesis, which crystallizes in the tetragonal (SG P 4/ nmm ) structure at room temperature. Resistivity measurements show a strong anomaly near 150 K, which is ascribed to the spin density wave instabili…
A general spin-projection framework is laid out which allows one to perform ab initio molecular dynamics simulations of antiferromagnetically coupled spin dimers. The method extends the well-established broken-symmetry formalism and is systematically and consistently improvable. It allows for accessing structure withi…
The morphology of gold nanoparticles was controlled with hydrogentetrachloroaurate (HAuCl 4 ) and polyvinylpyrrolidon (PVP) through a polyol process using ethyleneglycol as solvent and reducing agent. The polyol process gave various particle morphologies: trihedron, tetrahedron, hexahedron, and sphere in the size rang…
Gold nanoparticles were functionalized with a synthetic polypeptide, de novo-designed to associate with a charge complementary linker polypeptide in a folding-dependent manner. A heterotrimeric complex that folds into two disulphide-linked four-helix bundles is formed when the linker polypeptide associates with two of…
The results of steady-state and time-resolved absorption and fluorescence experiments as well as quantum mechanical density functional theory (DFT) calculations of metal-free and Zn(II) mononuclear and dinuclear (sharing a common benzene ring) phthalocyanines are presented. A detailed comparison between measured and c…
We report that localized surface plasmon resonances (LSPRs) of gold nanodots immersed under liquid crystals (LCs) can be used to characterize adsorbate-induced ordering transitions of the LCs on the surfaces of the nanodots. The nanoscopic changes in ordering of the LCs, as measured by LSPR, were shown to give rise to…
The adsorption behavior of highly charged cationic polyelectrolytes onto porous substrates is electrostatic in nature and has been shown to be highly dependent on the polyelectrolyte properties. Copolymers of acrylamide (AM) and diallyldimethylammonium chloride (DADMAC) were synthesized to have a range of macromolecul…
The electronic structures of (Fe,Mn) 3 O 4 spinel oxides have been investigated by employing soft-x-ray absorption spectroscopy (XAS) and soft x-ray magnetic circular dichroism (XMCD). We have determined the valence states as well as the occupation sites of Mn and Fe ions in Fe 0.9 Mn 2.1 O 4 and MnFe 2 O 4 . Fe 0.9 M…
We report studies on the end-to-end assembly of CTAB-stabilized gold nanorods (GNRs) dispersing in an aqueous solution. The addition of sodium citrate to the solution of GNRs with an aspect ratio (AR) of 3 causes the end-to-end assembly accompanied with a red-shift of longitudinal surface plasmon resonance (LSPR) band…
We have investigated the temperature dependence of photoluminescence (PL) dynamics in CdS quantum dots (QDs) prepared by a colloidal method. A size-selective photoetching process and a surface modification technique with a Cd(OH) 2 layer enabled us to prepare size-controlled CdS QDs with high PL efficiency. The PL dec…
Fast field cycling (FFC) NMR is applied to study the dispersion of the 1 H spin−lattice relaxation in the low molecular weight glass-formers o -terphenyl, tristyrene, and oligomeric polybutadiene (PB, with M /gmol −1 = 355 and 466) over a broad temperature range (203−401 K). Differing from previous FFC NMR works, we a…
Magnetically doped ${\text{SnO}}_{2}$ is a promising dilute magnetic semiconductor and may also be applicable in a variety of magneto-optical applications. Epitaxial films of ${\text{Sn}}_{1\ensuremath{-}x}{\text{Co}}_{x}{\text{O}}_{2}$ $(x\ensuremath{\le}0.2)$ and ${\text{Sn}}_{1\ensuremath{-}x}{\text{Fe}}_{x}{\text{…
The intense electromagnetic fields of plasmonic nanoparticles, resulting from the excitation of their localized surface plasmon oscillations, are known to enhance radiative processes. Their effect on the nonradiative electronic processes, however, is not as well-documented. Here, we report on the enhancement of the no…
There has been recent debate regarding the role or influence of BaCO 3 species on the performance or operation of Pt/BaO/Al 2 O 3 model NO X storage/reduction (NSR) catalysts. This influence is primarily regarded as negative, but the extent of its impact is not clear. For this reason, the formation and stability of ba…
A comparative study of the adsorption of an O2 molecule on pure Au(n+1)+ and doped MAu(n)+ cationic gold clusters for n = 3-7 and M = Ti, Fe is presented. The simultaneous adsorption of two oxygen atoms also was studied. This work was performed by means of first principles calculations based on norm-conserving pseudo-…
Single-crystalline cerium carbonate hydroxide (CeCO 3 OH) with shuttle morphology has been successfully synthesized by a facile hydrothermal method with the aid of polyvinyl alcohol (PVA). The typical diameters of CeCO 3 OH shuttles (middle part) are about 800 nm, and the typical lengths are about several micrometers.…
Exact solutions are obtained for all the modes of wave propagation along an anisotropic cylindrical waveguide. Closed-form expressions for the energy flow on the waveguide are also derived. For extremely anisotropic waveguide where the transverse permittivity is negative $({\ensuremath{\epsilon}}_{\ensuremath{\perp}}&…