Materials Literature
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The criteria for strong correlations on surfaces of three-dimensional topological insulators are discussed. Usually, the Coulomb repulsion at such surfaces is too weak for driving a phase transition to a strongly correlated regime. I discuss a mechanism and possibilities of its experimental implementation by which the…
Abstract The synthesis and characterization of solution‐cast, molded gels of N‐vinyl formamide (NVF) has not been previously reported even though NVF is an isomer of acrylamide (AAm) and polyacrylamide (PAAm) hydrogels have many commercial applications. Aqueous NVF solutions were cross‐linked into gels using a novel c…
We present a versatile theoretical method for calculating the steady-state viscosity and shear relaxation function of strong electrolyte solutions. In this method, the ions are described on a primitive model level as charged Brownian spheres, and the essential ion-ion hydrodynamic interactions (HIs) are accounted for…
We study the effect of buckling and breathing phonons, relevant for cuprate superconductors, on the d-wave superconductivity in the two-dimensional Hubbard model by employing dynamical cluster Monte Carlo calculations. The interplay of electronic correlations and the electron-phonon interaction produces two competing…
The superconductive and magnetic properties of charge-compensated (Ca${}_{x}$La${}_{1\ensuremath{-}x}$)(Ba${}_{1.75\ensuremath{-}x}$La${}_{0.25+x}$)Cu${}_{3}$O${}_{y}$ (normally denoted as CLBLCO) are considered through quantitative examination of data for electrical resistivity, magnetic susceptibility, transition wi…
A new class of triarylamine compound functionalized with bulky triisopropylsilyl ether (-OTIPS) groups is used as a hole transport material in dye-sensitized solar cells (DSSCs). Using both optical and photoelectrochemical techniques, we compared the performance of this compound with that of a parent compound containi…
On the basis of ab initio supercell calculations employing density functional theory (DFT) and post-DFT methods, we investigate the behavior of main group element impurities (B, C, N, Al, Si, P, Ga, Ge) in wurtzite (w) and zincblende (zb) CdS lattices. It is found that the impurities prefer the sulfur position and mos…
We present the results of a high-resolution low-temperature synchrotron structural study of the nitrogen-containing analogue of cupric oxide, copper carbodiimide (CuNCN). The material clearly manifests a surprising nonmonotonous behavior of the a lattice parameter as a function of the temperature: its decrease with de…
Transport phenomena of interacting particles are of high interest for many applications in biology and mesoscopic systems. Here we present measurements on colloidal particles, which are confined in narrow channels on a substrate and interact with a barrier, which impedes the motion along the channel. The substrate of…
The complex flow behavior of polymer-based soft colloidal model systems was investigated using steady and oscillatory shear to prove new concepts for advanced rheological characterization. In the very dilute regime we investigated high molecular weight polybutadiene star polymers to quantify the internal relaxation ti…
The use of contrast agents, particularly those made of high atomic number elements like gold nanoparticles, to enhance the X-ray absorption properties of tissue has recently gained attention in the context of radiotherapy treatments. Because these contrast agents alter the secondary electron field in the irradiated me…
This paper tests the generality of the scaling law for layer spacing of charged particles under confinement and resolves the established contradictions in the literature. The present determined layer spacings λ, also called the wavelength of oscillatory force, by colloidal probe atomic force microscopy are compared to…
A practical and scalable route to the SMO receptor antagonist SEN794 1 is described herein. A new and efficient access to the key intermediate 7 via the Kröhnke reaction was developed, significantly simplifying the synthesis and reducing costs. The optimized route consists of six chemical steps plus a palladium scaven…
Abstract The excited states of cis-trans formic acid dimer and its monomers have been investigated by time-dependent density functional theory (TDDFT) method. The formation of intermolecular hydrogen bonds O1-H1...O2=C2 and C2-H2...O4=C1 induces bond length lengthening of the groups related to the hydrogen bond, while…
The recovery of 1,3-propanediol from fermentation broth is challenging because of its high polarity and high boiling point. Extraction is an attractive alternative to the commonly used distillation process, which is very energy intensive and thus costly. Due to the low solubility of 1,3-propanediol in organic solvents…
The interaction of water molecules and lithium-montmorillonite (Li-MMT) is theoretically investigated using density functional theory (DFT) based first principles calculation. The mechanism of water adsorption at two different water concentrations on Li-MMT as well as their structural and electronic properties are inv…
Abstract A high‐temperature solution blending process has been used to synthesize a series of copolymers incorporating varying mole ratios of perylenebisimide (PBI) into the backbone of an engineering thermoplastic polyester [poly(1,4‐cyclohexylenedimethylene‐1,4‐cyclohexanedicarboxylate)] (PCCD). A random donor–accep…
Abstract Fusion bonded epoxy coating is one of the methods used to protect steel against corrosion. The primary objective of this research reported in this paper is to evaluate the bond strength of epoxy coated bar splices confined with lateral reinforcement. Six full scale beams specimens, designed to fail in bond- s…
An oligothiophene having a donor-acceptor-donor chromophore with hydrogen bonding groups is used as electron donor in planar heterojunction organic photovoltaic cells. We focus on the contact between the anode and the oligothiophene. Different anode buffer layers (ABLs) have been used, MoO3 and CuI, alone or coupled w…
The addition of a dielectric layer on a slab configuration is frequently utilized in various electromagnetic devices in order to give them certain desired operational characteristics. In this work, we consider a grounded dielectric film-slab, which is externally excited by a normally-incident Gaussian beam. On top of…