Materials Literature
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Semiconductor In2O3 nanowires embedded in an alumina template were fabricated using template technology. Scanning electron microscopy and transmission electron microscopy observations show that the In2O3 nanowire single crystal has an average diameter around 80 nm and a length over 10 μm. A strong photoluminescence (P…
Thin films were fabricated via metalorganic decomposition methods with three compositions: Bi1.5Zn1.0Nb1.5O7, Bi1.5Zn0.5Nb1.5O6.5, and Bi2Zn2/3Nb4/3O7. The Bi1.5Zn0.5Nb1.5O6.5 composition is a low temperature phase with the cubic pyrochlore structure. This phase may undergo a peritectoid decomposition at 700 °C to the…
The aim of this paper was to contribute to the interpretation of the mechanism of shrimp shell deproteinization. We used amino acid analysis to quantify the amount of proteins remaining in chitin. NaOH 1 M was added to a demineralized shrimp shell powder with a solution-to-solid ratio of 15 mL/g at ambient temperature…
We consider the effect of an extra electron injected into a doped quantum dot $ZnS:Mn^{2+}$. The Coulomb interaction and the exchange interaction between the extra electron and the states of the Mn ion will mix the wavefunctions, split the impurity energy levels, break the previous selection rules and change the trans…
This article contains a description of a computational constitutive model for brittle materials subjected to large strains, high strain rates, and high pressures. The focus of this model is to determine the response of aluminum nitride under high velocity impact conditions that produce large strains, high strain rates…
We apply the pseudopotential density functional perturbation theory approach along with the quasiharmonic approximation to calculate the thermal expansion of tungsten and two important metallic alloys, NiAl and PdTi. We derive the theory for anisotropic crystal structures and test the approximation that the anisotropi…
We present a simple formalism for the calculation of the derivatives of the electronic density matrix at any order, within density functional theory. Our approach, contrary to previous ones, is not based on the perturbative expansion of the Kohn-Sham wavefunctions. It has the following advantages: (i) it allows a simp…
We demonstrate the controlled incorporation of P dopant atoms in Si (001) presenting a new path toward the creation of atomic-scale electronic devices. We present a detailed study of the interaction of PH3 with Si (001) and show that it is possible to thermally incorporate P atoms into Si (001) below the H desorption…
We apply experimental technique based on the combination of methods dealing with principal refractive indices and absorption coefficients to study the photoinduced three-dimensional (3D) orientational order in the films of liquid crystalline (LC) azopolymers. The technique is used to identify 3D orientational configur…
Films of aligned cupric oxide nanobelts have been prepared in an aqueous solution at room temperature. Field-emission characteristics, including emission-current–applied-field plot and emission site distribution, have been studied using the transparent anode technique. In addition, the temperature dependence of the fi…
About a hundred years ago, Jean Perrin's experiments on colloids—particles a few nanometers to a few micrometers in diameter—convinced even the skeptics that matter consists of atoms and molecules. More recently, the analogy between atoms and colloids has led to insights into crystal nucleation and growth, the glass t…
The magnetocaloric effect of Mn3GaC, which shows an antiferromagnetic to ferromagnetic transition at 165 K has been investigated. In this compound, magnetocaloric effect obtained at the transition is opposite to that of ordinary ferromagnetic systems, namely, negative magnetocaloric effect. It was found that a large m…
The effects of atomic short-range order on the properties of Pb(Zr(1-x)Ti(x))O3 alloy in its morphotropic phase boundary (MPB) are predicted by combining first-principles-based methods and annealing techniques. Clustering is found to lead to a compositional expansion of this boundary, while the association of unlike a…
By adding minute concentrations of a high molecular weight polymer, liquid jets or bridges collapsing under the action of surface tension develop a characteristic shape of uniform threads connecting spherical fluid drops. In this paper, high-precision measurements of this beads-on-string structure are combined with a…
Ab initio Monte Carlo simulations have been performed to determine the equilibrium properties of liquid lithium and lithium clusters at different temperatures. First-principles density-functional methods were employed to calculate the potential-energy change for each proposed change of configuration, which was then ac…
When developing and assessing density functional theory methods, a finite basis set is usually employed. In most cases, however, the issue of basis set dependency is neglected. Here, we assess several basis sets and functionals. In addition, the dependency of the semiempirical fits to a given basis set for a generaliz…
The potential for PHB (poly-beta-hydroxybutyrate) to serve as the electron donor for effective simultaneous nitrification and denitrification (SND) was investigated in a 2-L sequencing batch reactor (SBR) using a mixed culture and acetate as the organic substrate. During the feast period (i.e., acetate present), heter…
Room temperature deposition of high crystal quality zinc oxide (ZnO) films was realized by the filtered cathodic vacuum arc (FCVA) technique. Detrimental macroparticles in the plasma as byproducts of arcing process are removed with an off-plane double bend magnetic filter. The influence of oxygen pressure on the struc…
Oil-in-water emulsions containing cationic droplets stabilized by lecithin-chitosan membranes were produced using a two-stage process. A primary emulsion containing anionic lecithin-coated droplets was prepared by homogenizing oil and emulsifier solution using a high-pressure valve homogenizer (5 wt % corn oil, 1 wt %…
Stress-induced changes in the imprint and switching behavior of (111)-oriented Pb(Zr,Ti)O3 (PZT)-based capacitors have been studied using piezoresponse force microscopy. Visualization of polarization distribution and d33-loop measurements in individual 1×1.5-μm2 capacitors before and after stress application, generate…