Materials Literature
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Considered to have contributed greatly to the pre-sizing of composite structures, Composite Materials: Design and Applications is a popular reference book for designers of heavily loaded composite parts. Fully updated to mirror the exponential growth and development of composites, this English-language Third Edition:C…
Luminescent Ag nanoclusters (NCs) stabilized by nucleic acids are implemented as optical labels for the detection of the explosives picric acid, trinitrotoluene (TNT), and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). The sensing modules consist of two parts, a nucleic acid with the nucleic acid-stabilized Ag NCs and…
Electronic structure and magnetic properties of ZrFe$_2$ with a cubic Laves phase are investigated by calculations based on the density functional theory. The total magnetic moment (m) of 3.14 $μ_B$ per formula unit (\emph{f.u.}) is obtained at the experimental lattice constant (7.06 Å), which is larger than 3.06 $μ_B…
The high Curie temperature multiferroic compound CuO has a quasidegenerate magnetic ground state that makes it prone to manipulation by the so-called ``order-by-disorder'' mechanism. First principle computations supplemented with Monte Carlo simulations and experiments show that isovalent doping allows us to stabilize…
We study the dynamics of magnetic domain walls in the Peierls potential due to the discreteness of the crystal lattice. The propagation of a narrow domain wall (comparable to the lattice parameter) under the effect of a magnetic field proceeds through the formation of kinks in its profile. We predict that, despite the…
A combination of Scanning Tunneling Microscopy/Spectroscopy and Density Functional Theory (DFT+U) is used to characterize excess electrons in TiO$_2$ rutile and anatase, two prototypical materials with identical chemical composition but different crystal lattices. In rutile, excess electrons can localize at any lattic…
In order to use graphene for semiconductor applications, such as transistors with high on/off ratios, a band gap must be introduced into this otherwise semimetallic material. A promising method of achieving a band gap is by introducing nanoscale perforations (antidots) in a periodic pattern, known as a graphene antido…
We discuss the dependence of self- and interdiffusion coefficients on temperature and composition for two prototypical binary metallic melts, Al-Ni and Zr-Ni, in molecular-dynamics computer simulations and the mode-coupling theory of the glass transition (MCT). Dynamical processes that are mainly entropic in origin sl…
We report the growth of high quality Bi$_{2-x}$Sb$_x$Te$_{3-y}$Se$_y$ ultrathin nanoplates (BSTS-NPs) on an electrically insulating fluorophlogopite mica substrate using a catalyst-free vapor solid method. Under an optimized pressure and suitable Ar gas flow rate, we control the thickness, the size and the composition…
Using combined theoretical and experimental approaches, we studied the structural and electronic origin of the magnetic structure in hexagonal ${\mathrm{LuFeO}}_{3}$. Besides showing the strong exchange coupling that is consistent with the high magnetic ordering temperature, the previously observed spin reorientation…
Electromagnetic fields bound tightly to charge carriers in a two-dimensional sheet, namely surface plasmons, are shielded by metallic plates that are a part of a device. It is shown that for epitaxial graphenes, the propagation velocity of surface plasmons is suppressed significantly through a partial screening of the…
Magnetic field-driven domain wall motion in an ultrathin Pt/Co(0.45nm)/Pt ferromagnetic film with perpendicular anisotropy is studied over a wide temperature range. Three different pinning dependent dynamical regimes are clearly identified: the creep, the thermally assisted flux flow and the depinning, as well as thei…
The performance of correlated optimized effective potential (OEP) functionals based on the spin-resolved second-order correlation energy is analyzed. The relative importance of singly- and doubly- excited contributions as well as the effect of scaling the same- and opposite- spin components is investigated in detail c…
An impedance spectroscopy (IS) is a versatile tool to study the effect of grains (bulk), grain boundaries and electrode-electrolyte interface on dielectric and electrical properties of electro-ceramics. This study only focuses the high frequency (1 kHz to 10 MHz) probe of bulk ferroelectric capacitance near ferroelect…
Many-body perturbation theory within the G$_0$W$_0$ approximation is used to determine molecular orbital level alignment at a liquid water/Pt(111) interface generated through $ab~ initio$ molecular dynamics. Molecular orbital energy levels are shown to depend both on the position of H$_2$O molecules within the liquid…
Aging amorphous polymeric materials undergo free volume relaxation, which causes slowing down of the relaxation dynamics as a function of time. The resulting time dependency poses difficulties in predicting their long time physical behavior. In this work, we apply effective time domain approach to the experimental dat…
We demonstrated correlations between mechanically bent tensile-strain-induced two-dimensional MoS2 nanosheets (NSs) and their electrochemical activities toward the hydrogen evolution reaction (HER). The tensile-strain-induced MoS2 NSs showed significantly steeper polarization curves and lower Tafel slopes than the str…
Green synthesis of gold nanoparticles (Au NPs) using Abelmoschus esculentus (L.) pulp extract has been elaborately studied and reported here. The Au NPs have been characterized using several techniques. Optical analysis indicates adequate stability of the synthesized Au NPs, while FTIR analyses the fact that phytochem…
Cyclic alkyl(amino) carbene stabilized two- and three-coordinate Fe(I) complexes, (cAAC)2FeCl (2) and [(cAAC)2Fe][B(C6F5)4] (3), respectively, were prepared and thoroughly studied by a bouquet of analytical techniques as well as theoretical calculations. Magnetic susceptibility and Mössbauer spectroscopy reveal the +1…
The evaporation of aqueous suspensions of cellulose nanocrystals (CNCs) gives iridescent chiral nematic films with reflection colors at visible wavelengths. A key problem is controlling the chiral nematic pitch, P, and hence the reflection colors of CNC films. By adding D-(+)-glucose to the suspension, we show that th…