Materials Literature
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We use the orbit-following Monte Carlo code ASCOT to calculate the wall power loads in ITER caused by fusion alphas. The simulations are carried out for a realistic 3D magnetic field that includes the effect of both ferritic inserts and the test blanket modules, both causing aberrations in the magnetic field structure…
Abstract BACKGROUND Heavy metals present a great challenge due to pollution of the water environment. Conventional adsorption materials may be problematic for sustainable applications due to energy‐intensive processing, low adsorption capacity and difficult liquid/solid separation. To address this issue, this study in…
The ground state of hemispherical permalloy magnetic shell is studied. There exist two magnetic phases: the onion state and the vortex one. The phase diagram is systematically analyzed in a wide range of geometrical parameters. Possible transitions between different phases are analyzed using the combination of analyti…
We use molecular dynamics simulations of a full atomistic Gō model to explore the impact of selected DE-loop mutations (D59P and W60C) on the folding space of protein human β2-microglobulin (Hβ2m), the causing agent of dialysis-related amyloidosis, a conformational disorder characterized by the deposition of insoluble…
Abstract Two new 3D metal–organic frameworks (MOF), [Co(H2‐DHBDA)(bpe)]n (1) and [Co(H2‐DHBDA)(bpee)]n (2) [H2‐DHBDA = 2,5‐dihydroxy‐1,4‐benzenediacetate, bpe = 1,2‐bis(4‐pyridyl)ethylene, bpee = 1,2‐bis(4‐pyridyl)ethane], were synthesized hydrothermally. Both compounds have a similar 3D structure. The secondary build…
Sensitizers have proven to be extremely important in determining the performance of dye-sensitized solar cells (DSCs). The design and understanding of sensitizers, especially D-π-A structured porphyrins, has become a recent focus of DSC research. In this perspective article, advances in the conception and performance…
Ba${}_{3}$Si${}_{6}$O${}_{12}$N${}_{2}$:Eu${}^{2+}$ and Ba${}_{3}$Si${}_{6}$O${}_{9}$N${}_{4}$:Eu${}^{2+}$ have strikingly similar atomistic structures, but the former is an efficient green phosphor at working temperature while the latter is a bluish-green phosphor whose luminescence decreases quite fast with temperat…
Structural and electrochemical properties of various types of sulphur–carbon composites were reviewed to propose approaching ways for the development of lithium/sulphur battery with high energy density and good cycle performance. To improve the electrochemical properties of a sulphur cathode, carbon and polymer materi…
We introduce hybrid solar cells with an architecture consisting of an electrodeposited ZnO nanorod array (NRA) coated with a conformal thin layer (<50 nm) of organic polymer-fullerene blend and a quasi-conformal Ag top contact (Thin/NR). We have compared the performance of Thin/NR cells to conventional hybrid cells in…
The formation of polycatalytic enzyme complexes may enhance the effectiveness of enzymes due to improved substrate interaction and synergistic actions of multiple enzymes in proximity. Much effort has been made to develop highly efficient polycatalytic cellulase complexes by immobilizing cellulases on low-cost polymer…
We have performed densisty functional theory (DFT) calculations of vicinal J coupling constants involving the backbone torsional angle for the protein GB3 using our recently developed automatic fragmentation quantum mechanics/molecular mechanics (AF-QM/MM) approach (Xiao He et al. J. Phys. Chem. B 2009, 113, 10380-103…
In-Sn-O nanostructures with rectangular cross-sectional rod-like, sword-like, and bowling pin-like morphologies were successfully synthesized through self-catalytic growth. Mixed metallic In and Sn powders were used as source materials, and no catalyst layer was pre-coated on the substrates. The distance between the s…
Wool, with excellent characteristics, has the problem of being fed on by the moth. Until now several chemicals have been introduced for mothproofing with some limitations. In this research, an optimized mothproofing of wool has been proposed with nano TiO2 and citric acid by using Design-Expert software. Mothproofing…
The solubility of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF) was measured in water, dichloromethane, ethanol, ethyl ethanoate, methanol, and trichloromethane between 293.15 K and 313.15 K. Measurements were performed by using high-pressure liquid chromatography with ultraviolet detection. For all reagents tested, the…
An alternative way of induction heating of nonmagnetic cylindrical billets is modeled. The billet rotates in static magnetic field generated by permanent magnets. The mathematical model of the process consisting of two second-order partial differential equations describing the distributions of magnetic and temperature…
A hybrid patterned ZnO micro-cylinders and nanorods array (MCNR) was fabricated to improve the light extraction efficiency for high brightness GaN-based light-emitting diodes (LEDs). The light extraction efficiency of the LEDs with the ZnO MCNR is increased by 86.4% compared with conventional planar LEDs. LEDs with Zn…
Polysilafluorenes (PSFs) are an important class of light-emitting conjugate polymers noted for their characteristic brilliant solid state blue luminescence, high quantum efficiency, excellent solubility, and improved thermal stability. These polymers are also reported to have superior electron conductivity to polyfluo…
Ichihara K., Shimada S. and Miyaji K. 2013. Systematics of Rhizoclonium-like algae (Cladophorales, Chlorophyta) from Japanese brackish waters, based on molecular phylogenetic and morphological analyses. Phycologia 52: 398–410. DOI: 10.2216/12–102.1Analyses of partial small subunit (SSU) and large subunit (LSU) rRNA ge…
We propose a tunable plasmonic nanoantenna design that achieves steering fluorescence beams via a voltage signal. The configuration is composed of a nanometallic grating structure coated with a thin luminescent layer and a liquid crystals (LC) cell fixed above as a modulator. The angle-scanned fluorescence spectra sho…
We present a fully numerical multigrid approach for solving the all-electron Kohn-Sham equation in molecules. The equation is represented on a hierarchy of Cartesian grids, from coarse ones that span the entire molecule to very fine ones that describe only a small volume around each atom. This approach is adaptable to…