Materials Literature
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We show that the helical superstructure in chiral smectic-C-type liquid crystal phases can, if the pitch is short enough, give rise to the tristate switching characteristic of antiferroelectrics even if the local commensurate order is synpolar as in the ordinary Sm-C* phase. Since the field-induced helix unwinding exh…
An impurity-driven magnetic phase transition has been investigated in LaCoO 3 at temperatures below that of the thermally induced spin state transition of the Co 3+ ion. We have discovered a saturating component of the magnetisation, which we attribute to previously unobserved interactions between magnetic excitons. T…
ArF immersion lithography is considered as the most promising next generation technology which enables to a 45 nm node device manufacturing and below. Not only depth of focus enlargement, immersion lithography enables to use hyper numerical aperture (NA) larger than 1.0 and achieve higher resolution capability. For 19…
The aim of this communication is to probe the possibility of increasing the barrier for reversal of magnetization in the family of new cyano-bridged pentanuclear Mn(III)2Mn(II)3 clusters in which single molecule magnet behavior has been recently discovered. In this context, we analyze the global magnetic anisotropy ar…
We present a detailed study of the anisotropic optical properties of mesoporous silicon layers prepared from substrates having different doping levels under various preparation conditions. We demonstrate that the morphology of the layers strongly depends on the preparation conditions. It correlates with measured optic…
The photocatalytic oxidation (PCO) of trace amounts of propane (500 ppm) on nanocrystalline anatase TiO2 has been investigated in situ as a function of temperature (T = 318-473 K), humidity (C(H2O) = 0-4%), and time by means of mass spectrometry and diffuse reflectance Fourier transform infrared spectroscopy (DRIFT).…
Intercalated and exfoliated models of polymer nanocomposites based on poly(epsilon-caprolactone) and functionalized montmorillonite clay are studied by means of molecular dynamics simulations. Intercalated and exfoliated models are considered for probing the structural characteristics of the corresponding nanocomposit…
Zinc porphyrin-appended dendrimers, 12PZn, 18PZn, 24PZn, and 36PZn, containing 12, 18, 24, and 36 zinc porphyrin units, respectively, were synthesized using zinc porphyrin dyad (2PZn) and triad (3PZn) as precursors. Although these dye-functionalized dendrimers all serve as chiroptical sensors for an asymmetric bipyrid…
Oxide superlattices and microstructures hold the promise for creating a new class of devices with unprecedented functionalities. Density-functional studies of the recently fabricated, lattice-matched perovskite titanates (SrTiO3)n/(LaTiO3)m reveal a classic wedge-shaped potential well for the monolayer (m = 1) structu…
A novel organic−inorganic hybrid material constructed from mixed molybdenum−vanadium polyoxoanion clusters and [Ni(en) 2 ] 2+ complex groups {[Mo VI 5 Mo V 3 V IV 8 O 40 (PO 4 )][Ni(en) 2 ]}[Ni(en) 2 ] 2 ·4H 2 O ( 1 ) (en = ethylenediamine), has been prepared under hydrothermal conditions and structurally characterize…
The electrooxidation behavior of BH4(-) on electrocatalytic Pt, hydrolytically active Ni, and noncatalytic Au electrodes were comparatively reexamined and a more generalized reaction mechanism was proposed to explain the very different anodic properties of BH4(-) on the different metal electrodes. In this mechanism, t…
We present simulation results for the phase behavior of flexible lattice polymer chains using the Wang-Landau sampling idea. These chains display a two-stage collapse through a coil-globule transition followed by a crystallization at lower temperatures. Performing a finite-size scaling analysis on the two transitions,…
Abstract Effects of the various coatings (whey protein isolate, chitosan and shellac) on fresh eggs quality were evaluated based on the interior quality and sensory evaluation during 4 weeks of storage. During storage, all egg weights and albumen heights decreased and albumen pH increased. The lowest weight loss (0.75…
We study a two-dimensional electron gas in a perpendicular magnetic field in the presence of both Rashba and Dresselhaus spin-orbit interactions. Using a Bogoliubov transformation we are able to write an approximate formula for the Landau levels, thanks to the simpler form of the resulting Hamiltonian. The exact numer…
Long-range exchange and correlation effects, responsible for the failure of currently used approximate density functionals in describing van der Waals forces, are taken into account explicitly after a separation of the electron-electron interaction in the Hamiltonian into short- and long-range components. We propose a…
Using grand canonical Monte Carlo simulations, we have explored the phenomenon of capillary condensation (CC) of Ar at the triple temperature inside infinitely long, cylindrical pores. Pores of radius R= 1 nm, 1.7 nm and 2.5 nm have been investigated, using a gas-surface interaction potential parameterized by the well…
Numerical solutions of the standard electrokinetic model provide a basis for interpreting a variety of electrokinetic phenomena involving `bare' colloids. However, the model rests on the classical notion of a shear or slipping plane, whose location is unknown when surfaces are coated with permeable polymer. Consequent…
Possible variations in the dynamical behaviour of LiYF$_{4}$ due to its several structural changes under pressure are examined by making use of the complementary techniques of quasi-harmonic lattice dynamics and molecular dynamics simulations. The phonon spectra in the entire Brillouin zone together with the respectiv…
This chapter is aimed at studying the anomalous magnetic properties (glassy behaviour) observed at low temperatures in nanoparticles of ferrimagnetic oxides. This topic is discussed both from numerical results and experimental data. Ferrimagnetic fine particles show most of the features of glassy systems due to the ra…
We suggest a local wave function based ab initio correlation method for infinite periodic systems, which can describe both the near range as well as the long range correlation effects coherently in the same scheme. Specifically, this work introduces a formalism which allows to describe the long range polarization clou…