Materials Literature
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The interaction of polyaniline with alkylsulfonate dopants have been investigated at the atomic level using quantum mechanical methods. Calculations have been performed on complexes formed by dopant molecules with an alkyl group ranging from methyl to nonyl and model oligoanilines of different sizes. The stabilization…
We present 75 As nuclear magnetic resonance data in the paramagnetic and magnetic states of single-crystal CaFe 2 As 2 . The electric field gradient and the internal magnetic field at the As sites change discontinuously below the first-order structural transition at T 0 =169 K. In the magnetic state, we find a single…
An integrated theoretical/experimental study of the natural cyanin dye is presented in terms of its structural and optoelectronic properties for different gas-phase and prototypical device configurations. Our microscopic analysis reveals the impact of hydration and hydroxylation reactions, as well as of the attached s…
Integrated but separate: A strongly nucleophilic cluster surface allows the selective complexation and separation of ammonium and potassium ions. Six {Mo4VKO6} rings with crown-ether-like functionality (see picture; Mo blue, V green, K pink, O red) present in the holes of the investigated cluster complex integrate six…
Conductive polymers are a class of materials with vast potential for tomorrow's ultra-large-scale technologies as they combine structural and functional diversity with flexible synthesis and processing approaches. A missing component, with their subtle chemical structure, is reliable building at nanoscale. Here we rep…
Abstract Acid‐catalyzed exocyclic ring formation in meso ‐tetrakis(3′,5′‐dimethoxyphenyl)‐2‐aza‐21‐carbaporphyrin takes place regioselectively between the external carbon atom of the confused pyrrole and the ortho ‐carbon atom of the adjacent meso ‐aryl group. The ring fusion strongly alters the spectroscopic properti…
A polymer derived ceramic composite coating consisting of the polycarbosilazane ABSE (matrix) and cBN (filler) is developed. The final coating thickness is varied by adjusting the withdrawal speed, the viscosity of the solution and the pyrolysis temperature. The coatings exhibit excellent adhesion to the substrate con…
Abstract A new approach is presented that combines kinetic and mechanistic considerations which take into account chemical reactions and catalyst deactivation in the modeling of the catalytic degradation of polymers. Though acid‐catalyzed hydrocarbon cracking reactions involve a large number of compounds, reactions an…
Shape memory polymers are of interest as high-capacity information storage media. This paper seeks to understand the effects of processing conditions on diethylene glycol dimethacrylate (DEGDMA) and bisphenol A ethoxylate dimethacrylate. Full factorial experiments are performed to characterize the impact of the follow…
The aim of this work is to understand the influence of textural, chemical, and structural properties on the reactivity of activated carbons toward air. Multiscale organization of activated carbons was studied using high-resolution transmission electron microscopy (HRTEM) and their quantitative structural data, like in…
Defect-free fully coordinated (FC) structures are well known to be highly stable for a number of materials exhibiting three-coordinated bonding at the nanoscale (e.g., ${\text{C}}_{60}$). For topologically more complex nanosystems with higher bonding connectivities the structures and stabilities of the lowest energy F…
Lateral resolution is a major issue in photoelectron emission microscopy (PEEM) and received much attention in the past; however a reliable practical methodology allowing for inter-laboratory comparisons is still lacking. In modern, energy-filtered instruments, core level or valence electrons give much lower signal le…
Regulation of smooth muscle cell adhesion, proliferation, and motility on biomaterials is critical to the performance of blood-contacting implants and vascular tissue engineering scaffolds. The goal of this study was to examine the underlying substrate-smooth muscle cell response relations, using a selection of polyme…
de Gennes first pointed out, in the 1970s, the geometric analogy between the layers of a smectic liquid crystal and the phase structure of the wave function of a superconductor. He showed that a layered structure expels twist deformations just as a superconductor expels a magnetic field, with twist penetrating only at…
The nanostructure and its transition of in a poly(acrylic acid) (PAA) brush in the water surface monolayers of poly(hydrogenated isoprene)-b-poly(acrylic acid) with different block lengths and block ratios were investigated by X-ray reflectivity as a function of surface pressure (brush density) and salt concentration…
An n-type Zn 1− x − y Be x Mg y O thin film was deposited on a p-type Si substrate by pulsed laser deposition to obtain a solar-blind photodetector. The spectral response characteristic with a cutoff wavelength of 280 nm was demonstrated to realize the photodetection of the solar-blind wave zone. The responsivity of t…
Enhancing protein conformational stability is an important aspect of protein engineering and biotechnology. However, protein stabilization is difficult to rationalize as it often results from the small cumulative and intertwined effects of multiple mutations. Here, we analyzed the mechanisms behind a remarkable 13 deg…
A hollow optical waveguide is proposed in which light can be confined in an air gap between a distributed Bragg reflecting (DBR) mirror and a high-index-contrast grating (HCG) mirror. Because of the combined effect of vertical (DBR) and lateral (HCG) periodicity, the proposed hollow waveguide shows a small modal biref…
We have measured transients of excitonic luminescence under pulsed excitation of single-crystal diamond, synthesized by a high-temperature high-pressure method. The longest decay time of 80 ns is measured at a lattice temperature around 100 K in nondoped samples. The decay kinetics strongly depends on the excitation p…
The recent study has shown that the point defects formed under electron irradiation in the boron nitride nanotubes (BNNTs) are primarily BN divacancies. In the present work, we explore the properties of BNNTs with divacancies and estimate their surface reactivity toward various adsorbates through density functional th…