Materials Literature
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Two complementary theoretical approaches are used to study the effect of polydispersity on (anti)fouling properties of a neutral polymer brush. Polydispersity is described using the Schulz−Zimm distribution. The Scheutjens−Fleer self-consistent-field (SF-SCF) formalism is used to consider the interaction between a sin…
Continuous boron nitride nanofibers (BNNFs) have been synthesized from boric oxide (B(2)O(3)) coatings deposited on stabilized electrospun polyacrylonitrile fibers (S-PANFs). The B(2)O(3) overcoatings were prepared by impregnating the S-PANFs with B(2)O(3) ethanol solutions. By successive heat treatments at 800 degree…
ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTThermo-Responsive Nanofiber MatsHidenori Okuzaki*, Keiko Kobayashi, and Hu YanView Author Information Laboratory of Organic Robotics, Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi, 4-4-37 Tak…
Using first-principles calculations we have investigated the possible native point defects in bulk ${\text{MgH}}_{2}$. Due to the interest in this material for hydrogen storage, we have paid particular attention to hydrogen-related defects that are likely to be involved in the absorption and release kinetics of hydrog…
The reproducible preparation of p-type ZnO represents an important task that might be realized via the partial substitution of Zn 2+ by Li + in the ZnO lattice. Consequently, it is necessary to understand the effect of Li incorporation into ZnO in detail. A systematic approach employing molecular organometallic precur…
A series of new mixed-metal Ru(II)-Ir(III) trinuclear complexes have been prepared and characterized, together with their mononuclear parents and a series of closely related dinuclear and trinuclear homometallic Ru(II) and Ir(III) species, and their absorption spectra and luminescence properties (both at 77 K in rigid…
The catalytic oxidation activity of palladium is influenced by the oxidation state of the metal. Under technologically relevant conditions, bulk and surface oxides may form and decompose. By employing first-principles calculations based on density functional theory, we have investigated the transition from the surface…
ADVERTISEMENT RETURN TO ISSUEEditorialNEXTNanotechnology for Next Generation Solar CellsPrashant V. Kamat and George C. SchatzCite this: J. Phys. Chem. C 2009, 113, 35, 15473–15475Publication Date (Web):August 4, 2009Publication History Published online4 August 2009Published inissue 3 September 2009https://doi.org/10.…
A new and simple method to directly synthesize stable and crystalline pure phase La(OH)(3) nanorods was developed using cationic surfactant (cetyltrimethylammonium bromide, CTAB). The advantages of the method are facile synthesis, at room temperature, and low cost. X-ray diffraction (XRD) spectra, Fourier transform in…
Abstract The foaming behavior of high‐melt strength polypropylene (HMS‐PP) and HMS‐PP/Cloisite 20A nanocomposites (PPNC) was studied in a batch process. PPNCs with 2, 4, 8, and 10 wt% clay were prepared in a twin screw extruder. The morphology of the nanocomposites was studied using XRD and TEM. Subsequently, foaming…
Reversible self-assembly of Keggin structure polyoxometalate (POM) nanoclusters into nanodisks, nanocones, and nanotubes is described. The surface of POM clusters was modified by organic surfactant through single-phase approach. By carefully controlling and varying clusters surrounding environment, all assemblies were…
Efficient intracellular delivery of quantum dots (QDs) and unravelling the mechanism underlying the intracellular delivery are essential for advancing the applications of QDs toward in vivo imaging and therapeutic interventions. Here, we show that clathrin-mediated endocytosis is the most important pathway for the int…
The liquid crystal and luminescent properties of two related series of rod-like, ortho-platinated complexes bearing a β-diketonate co-ligand are reported. The parent ligands exhibit a rich, smectic polymorphism, but when modified with a fused cyclopentene ring, nematic phases dominate. Reaction of the ligands with tet…
Fünfmal gut: Die Titelreaktion gelang an Katalysatoren auf der Basis triazinbasierter Polymere, die durch Trimerisierung von 2,6-Dicyanpyridin in einer ZnCl2-Schmelze hergestellt wurden und Bipyridin-Struktureinheiten zur Koordination von Platin aufweisen. Die Katalysatoren zeigen hohe Aktivität und können leicht vom…
Sensors based on single-walled carbon nanotube (SWNT) networks were fabricated and their sensitive properties for the nerve agent stimulant dimethyl methylphosphonate (DMMP) vapor were investigated at room temperature. The SWNT networks were deposited on oxidized silicon surface functionalized with 3-aminopropyltrimet…
Electronic structure calculations at macroscopic scales are employed to investigate the crucial role of a defect-core in the energetics of vacancies in aluminum. We find that vacancy core-energy is significantly influenced by the state of deformation at the vacancy-core, especially volumetric strains. Insights from th…
The structural details of the Pr 1− x Sr x FeAsO (1111) superconducting system are analyzed using data obtained from synchrotron x-ray diffraction and the structural parameters are carefully studied as the system moves from non-superconducting to hole-doped superconducting with an increase of the Sr concentration. Sup…
The fractional Stokes-Einstein (FSE) relation, (D/T) proportional to eta(-t), is shown to well correlate the molecular dynamics results of Meier et al. [J. Chem. Phys. 121, 3671 (2004); ibid. 121, 9526 (2004)] for the viscosity (eta) and self-diffusion coefficient (D) of the Lennard-Jones fluid in the liquid and dense…
In this paper, we report theoretical calculations of the photo-induced absorption (PA) spectrum of naphthalene and anthracene, with the aim of understanding those excited states, which are invisible in the linear optical absorption. The excited state absorption spectra are computed from the $1B_{2u}^{+}$ and the $1B_{…
We propose a possible route to achieve high thermoelectric efficiency in molecular junctions by combining a local chemical tuning of the molecular electronic states with the use of semiconducting electrodes. The former allows to control the position of the HOMO transmission resonance with respect to the Fermi energy w…