Numerical solution of volterra functional integral equation by using cubic B‐spline scaling functions

In this article, we consider a class of nonlinear functional integral equations which has rather general form and contains a lot of particular cases such as functional equations and nonlinear integral equations of Volterra type. We use a combination of a fixed point method and cubic semiorthogonal B‐spline scaling functions to solve the integral equation numerically. We provide an error analysis for the method which shows that the approximate solution converges to the exact solution. Some numerical results for several test problems are given to confirm the accuracy and the ease of implementation of the method. © 2013 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 30: 699–722, 2014     

Improved hydrogen evolution on glassy carbon electrode modified with novel Pt/cetyltrimethylammonium bromide nanoscale aggregates

A novel, cost‐effective, and simple electrocatalyst based on a Pt‐modified glassy carbon electrode (GCE), using cetyltrimethylammonium bromide (CTAB) as a cationic surfactant, is reported. Am‐phiphilic...     

Highly tunable elastic dielectric metasurface lenses

Dielectric metasurfaces are two‐dimensional structures composed of nano‐scatterers that manipulate the phase and polarization of optical waves with subwavelength spatial resolution, thus enabling ultra‐thin components for free‐space optics. While high performance devices with various functionalities, including some that are difficult to achieve using conventional optical setups have been shown, most demonstrated components have fixed parameters. Here, we demonstrate highly tunable dielectric metasurface devices based on subwavelength thick silicon nano‐posts encapsulated in a thin transparent elastic polymer. As proof of concept, we demonstrate a metasurface microlens operating at 915 nm, with focal distance tuning from 600 μm to 1400 μm (over 952 diopters change in optical power) through radial strain, while maintaining a diffraction limited focus and a focusing efficiency above 50%. The demonstrated tunable metasurface concept is highly versatile for developing ultra‐slim, multi‐functional and tunable optical devices with widespread applications ranging from consumer electronics to medical devices and optical communications.

     

1,3-Dibromo-5,5-dimethylhydantoin as an efficient homogeneous catalyst for synthesis of benzoxazoles, benzimidazoles, and oxazolo[4,5-b]pyridines

Abstract  

A simple and highly efficient method for synthesis of benzoxazoles, benzimidazoles, and oxazolo[4,5-b]pyridines is described. Condensation of orthoesters with o-substituted anilines or 2-amino-3-hydroxypyridine was performed in the presence of catalytic amounts of commercially available, inexpensive, and moisture-stable 1,3-dibromo-5,5-dimethylhydantoin under solvent-free conditions. The corresponding heterocycles were obtained in good to excellent yields. The main advantages of the present procedure are mild reaction conditions, short reaction times, high yields of products, easy work-up, and absence of solvent.     

Melamine-(H_2SO_4)_3 and PVP-(H_2SO_4)_n as solid acids:Synthesis and application in the first mono-and di-nitration of bisphenol A and other phenols

Melamine and poly vinylpyrrolidone（PVP） reacted with neat sulfuric acid readily to form two new organic solid acids namely melamine-（H₂SO₄）₃ and PVP-（H₂SO₄）_n.These solid acids were used for the first nitration of bisphenol A as well as other phenols in the presence of NH₄NO₃.Mono- and di-nitro bisphenol A have been characterized with IR and ¹H NMR techniques.     

Variational transition state theory with multidimensional tunnelling and kinetic isotope effects in the reactions of C2H6, C2H5D and C2D6 with .CCl3 to produce CHCl3 and CDCl3

ABSTRACT

Rate constants for the reactions of C₂H₆, C₂H₅D and C₂D₆ with .CCl₃. for the production of CHCl₃ and CDCl₃ (k₁, k₂, k₃ and k₄) were computed using variational transition state theory coupled with hybrid-meta density functional theory (MPWB1K) over the temperature range of 200–2900 K. The ground-state vibrational adiabatic potential was plotted for all channels. Small- and large-curvature tunnelling were determined to include quantum effects in the calculation of rate constants. Harmonic vibrational frequencies along the reaction path were calculated in curvilinear coordinates with scaled frequencies. Anharmonicity was included in the lowest-frequency torsion. The position of formation and dissociation of bonds was specified using the variation in harmonic vibrational frequencies along the reaction path. Representative tunnelling energy and the thermally averaged transmission probability at 298 K (P(E)exp?( ? ΔE/RT)) were determined for the reactions in which tunnelling is important. The kinetic isotope effect was used to calculate the considerable contributions of tunnelling and vibration. The expressions for rate constants were determined using nonlinear least-square fitting over the temperature range of 200–2900 K.     

Experimental evidence for GaAs surface quality affecting ohmic contact properties

An experimental study is described of barrier heights at the junction between (111) faces of semiconductingn-type bulk GaAs and alloyed In−Ge−Ag metal contacts. It is observed that strong corrugation of the semiconducting surface causes the barrier height to be higher than that of flat surfaces.     

Magnetic nanoparticles supported Cu2+ and Ce3+ complexes: toward the chemical and electrochemical oxidation of alcohol and sulfide derivatives

Research on Chemical Intermediates - Heterogeneous catalysts are more prominent rather than homogenous catalysts since they are simply separated from products. To improve and develop heterogeneous...