Materials Literature
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Diethynylcarbazole macrocycles 1b and 2b have been synthesized by oxidative coupling of appropriate precursors. In particular, macrocycle 2b was prepared by bimolecular Pd-catalyzed oxidative coupling in 35% isolated yield. The spectroscopic properties of these macrocycles and their precursors were measured in detail.…
A series of bischelate ionic silver complexes [Ag(L*)(2)][X] was prepared by complexation of a newly synthesized 2,2'-bipyridine containing chiral alkoxy chains in the 4,4' positions. The appropriate choice of the construction motifs allows the preparation of new materials in which several functionalities can be intro…
In this article, we describe a series of complex salts in which electron-rich {Fe(II)(CN)(5)}(3)(-) centers are coordinated to pyridyl ligands with electron-accepting N-methyl/aryl-pyridinium substituents. These compounds have been characterized by using various techniques including electronic absorption spectroscopy…
Abstract A series of acrylonitrile–butadiene–styrene (ABS) with different rubber content were prepared by diluting ABS grafting copolymer containing 60% rubber with a styrene–acrylonitrile copolymer. ABS prepared were blended with bisphenol‐A‐polycarbonate (PC) at the ratio of 70/30, 50/50, and 30/70 to prepare PC/ABS…
BACKGROUND: Hepatocellular carcinoma (HCC) is a particularly lethal cancer with few treatment options. Since gallium is known to accumulate specifically in HCC tumors but not in non-tumor liver, we investigated two gallium compounds, gallium nitrate (GaN) and gallium maltolate (GaM), as potential new agents for treati…
We investigated, using quasi-elastic and inelastic neutron scattering, the slow single-particle dynamics of water confined in laboratory synthesized nanoporous silica matrices, MCM-41-S, with pore diameters ranging from 10 to 18 Å. Inside the pores of these matrices, the freezing process of water is strongly inhibited…
Scanning tunneling spectroscopy (STS) experiments were performed on the (001) and (111) surfaces of single crystalline magnetite. Room temperature spectra exhibit a $\ensuremath{\sim}0.2\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$ gap around ${E}_{f}$. The importance of perfect surface order to the existence of this gap is…
This paper gives a survey of the particle dynamics in the liquid alkali metals observed with inelastic x-ray and neutron scattering experiments. Liquid rubidium and sodium are chosen as model fluids to represent the behaviour of this group of fluids. In the dense metallic monatomic melt the microscopic dynamics is cha…
The generalized indirect Fourier transformation (GIFT) technique is a versatile tool for the evaluation of small angle scattering data. It does not depend on models for the size and shape of the particles and requires model assumptions only for the interaction effects that are typically not as sensitive to the details…
A novel molecular arrangement of anthracene moieties and the corresponding rare solid-state excimer emission is obtained by utilization of a ternary system. The system consists of ammonium anthracene disulfonate and adducts, and shows the modulation of the solid-state emission mode depending on the adducts. The adduct…
As an alternative to the usual commercial reference and quasi-reference electrodes (QREs), we propose metal (Pt, stainless steel) coated with partially oxidized polypyrrole as a QRE. The electrode is easily fabricated by cyclic voltammetry (CV) with the metal electrode in an acetonitrile or CH2Cl2 solution of 10 mM py…
The local conductivity of semiconductors can be changed by incorporating various atoms into the semiconductor material. New work shows that manipulation of the surface can produce the same effect.
Variable-temperature X-ray absorption spectroscopy measurements of sub-nanometer Pt nanoparticles on a high-surface-area gamma-alumina support reveal that the Pt-Pt bonds exhibit contraction upon heating [i.e., negative thermal expansion (NTE)]. Bare clusters under a He environment show an average linear expansion coe…
We demonstrate composite media with ferromagnetic wires that exhibit a frequency region at the microwave regime with scattering spectra strongly dependent on an external magnetic field or stress. These tunable composite materials have recently been proposed theoretically; however, no direct experimental verification h…
We have studied the chemical potential shift and changes in the electronic density of states near the Fermi level $({E}_{F})$ as a function of carrier concentration in ${\mathrm{Pr}}_{1\ensuremath{-}x}{\mathrm{Ca}}_{x}\mathrm{Mn}{\mathrm{O}}_{3}$ (PCMO, $0.2\ensuremath{\leqslant}x\ensuremath{\leqslant}0.65$) through t…
Abstract The adoption of biodegradable polymeric materials is increasing in food and consumer goods packaging applications, due to concerns about the disposal of petroleum‐based polymers and the increasing cost of petroleum‐based polymer resins. Currently, poly(lactide) (PLA) polymers are the biggest commercially avai…
The problem of construction of the Wannier functions (WFs) in a restricted Hilbert space of eigenstates of the one-electron Hamiltonian $\hat{H}$ (forming the so-called low-energy part of the spectrum) can be formulated in several different ways. One possibility is to use the projector-operator techniques, which pick…
Advances in first-principles computational approaches have, over the past fifteen years, made possible the investigation of physical properties of ferroelectric systems. In particular, such approaches have led to a microscopic understanding of the occurrence of ferroelectricity in perovskite oxides at ambient pressure…
We calculate the optical properties of a series of passivated non-stoichiometric CdSe clusters using two first-principles approaches: time-dependent density functional theory within the local density approximation, and by solving the Bethe-Salpeter equation for optical excitations with the GW approximation for the sel…
We combine the high dimensional model representation (HDMR) idea of Rabitz and co-workers [J. Phys. Chem. 110, 2474 (2006)] with neural network (NN) fits to obtain an effective means of building multidimensional potentials. We verify that it is possible to determine an accurate many-dimensional potential by doing low…