Materials Literature
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Ionic liquids are used to dewater a suspension of birch Kraft pulp cellulose nanofibrils (CNF) and as a medium for water-free topochemical modification of the nanocellulose (a process denoted as "WtF-Nano"). Acetylation was applied as a model reaction to investigate the degree of modification and scope of effective io…
Both chiral OFm monosubstituted cyclo(l-Glu-l-Glu) and cyclo(d-Glu-d-Glu) display a robust gelation ability in a variety of organic solvents and water. In contrast to an individual enantiomer, their racemate can form rapidly recoverable thixotropic hydrogels with a remarkably shorter thixotropic recovery time. This un…
The ion‐flow environment is an important corona design factor of HVDC transmission lines. The space charges generated by corona form a typical convection‐dominated ion‐flow field. For this special transport phenomenon, however, standard Galerkin FEM always presents serious deficiencies. In this study, a new approach i…
The local structural behavior of PbZr0.5Ti0.5O3 (PZT 50/50) ceramics during application of an electric field was investigated using pair distribution function (PDF) analysis. In situ synchrotron total scattering was conducted, and the PDFs were calculated from the Fourier transform of the total scattering data. The PD…
Despite the considerable synthetic challenge, polymers that incorporate phosphorus atoms within or adjacent to a π-conjugated backbone framework are of interest due to the ability to modulate the photophysical properties of the polymer based on the chemical environment at phosphorus. We report the synthesis and charac…
Based on the combination of first-principles calculations, Boltzmann transport equation, and electron-phonon interaction (EPI), we investigate the thermal and electronic transport properties of crystalline cinnabar $(\ensuremath{\alpha}\text{\ensuremath{-}}\mathrm{HgS})$. The calculated lattice thermal conductivity ${…
Pure-phase cobalt-doped calcium hydroxyapatite ceramic samples with composition Ca 10 (PO 4 ) 6 [(CoO 2 ) x (OH) 1–2 x ] 2, where x = 0–0.2, were synthesized by high-temperature solid-state reaction, and their crystal structures, vibrational spectra, and magnetic properties were studied. Co atoms are found to enter in…
We theoretically investigate the enhancement of surface enhanced Raman spectroscopy (SERS) using hyperbolic stratified nanostructures and compare to metal nanoresonators. The photon Green function of each nanostructure within its environment is first obtained from a semianalytical modal theory, which is used in a quan…
ABSTRACT Two solution reactors in series were utilized to synthesize comb‐branched high‐density polyethylene (HDPE), cbHDPE, where the first reactor prepares vinyl‐terminated HDPE macromers catalyzed by an organometallic catalyst favoring beta hydride transfer and the second reactor copolymerizes HDPE macromers with e…
A set of density-functional theory based tools is employed to elucidate the influence of chemical and surface-induced changes on the core level shifts of X-ray photoelectron spectroscopy experiments. The capabilities of our tools are demonstrated by analyzing the origin of an unpredicted component in the N 1s core lev…
Transition metal oxides are well known for their complex magnetic and electrical properties. When brought together in heterostructure geometries, they show particular promise for spintronics and colossal magnetoresistance applications. In this article, we propose a carrier-driven coupling mechanism in heterostructures…
We analyzed the vibrational and electronic properties of diamondoid oligomers via resonance Raman spectroscopy. The compounds consist of lower diamondoids such as adamantane or diamantane that are interconnected with double bonds. Therefore, all oligomers have ethylene-like centers strongly influencing the character o…
In many cases, the stability of complex structures in colloidal systems is enhanced by a competition between different length scales. Inspired by recent experiments on nanoparticles coated with polymers, we use Monte Carlo simulations to explore the types of crystal structures that can form in a simple hard-core squar…
The antimicrobial packaging technology is a form of active packaging whose main purpose is to increase the shelf life of packaged foods, avoiding spoilage by the action of microorganisms. Food packaging plays a key role in the conservation, distribution and marketing of food. Microbiological contamination and subseque…
Te precursors were investigated using Ge K-edge X-ray absorption spectroscopy (XAS). The results of the X-ray absorption fine structure analyses show that for all of the compositions, the as-grown films were amorphous with a tetrahedral Ge coordination of a mixture of Ge-Te and Ge-Ge bonds but without any signature of…
A novel method for prediction of the inhibition efficiency of pyridine and imidazole derivatives is proposed. It does not require computer codes and unusual descriptors. It is based on the number of bromine atoms, the sum of the number of carbon and nitrogen atoms, and different structural factors. For 30 inhibitors,…
Magnetocaloric effects are of great interest for magnetic refrigeration as well as thermomagnetic energy production. Materials based on MnCoGe have been shown to be promising candidates in this respect. In this study, structural, electronic, and magnetic properties of MnCoGe alloys with several compositions (stoichiom…
Ballistic transport and sub-10 nm channel lengths have been achieved in transistors containing one single-walled carbon nanotube (SWNT). To fill the gap between single-tube transistors and high-performance logic circuits for the replacement of silicon, large-area, high-density, and purely semiconducting (s-) SWNT arra…
In this work, we have synthesized CdMoO 4 :Sm 3+ phosphors with tetragonal structure at room temperature by using co-precipitation method. The prepared sample contained adsorbed H 2 O molecules which is indicated by Fourier transform infra red (FT–IR) spectroscopy. Studies on scanning electron microscopy (SEM) and tra…
We investigate the influence of film thickness and magnetism on the electronic structure of a strongly correlated prototypical system, MnO(001) films epitaxially grown on Ag(001), using angle-resolved photoemission spectroscopy (ARPES) and x-ray photoelectron spectroscopy (XPS) techniques. XPS measurements have confir…