Materials Literature
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Using density functional theory, we examine a recently discovered structure for di-interstitial oxygen clusters in ${\text{UO}}_{2+x}$ in which three oxygen ions share one lattice site. This di-interstitial cluster exhibits a fast diffusion pathway; the migration barrier for these clusters is approximately half of tha…
Abstract Multiphonon resonant Raman scattering in N‐doped ZnO films was studied, and an enhancement of the resonant Raman scattering process as well as longitudinal optical (LO) phonon overtones up to the sixth order were observed at room temperature. The resonant Raman scattering intensity of the 1LO phonon in N‐dope…
Energy lost due to fouling of heat exchangers accounts for at least 2% of the total world energy production per year. The overwhelming proportion of these losses is compensated by additional consumption of fossil energy carriers. Not surprisingly, this comes with an enormous energy price-tag as well as considerable gr…
Using molecular dynamics simulations and scaling analysis, we study the effect of the solvent quality for the polymer backbone, the strength of the electrostatic interactions, the chain degree of polymerization, and the brush grafting density on conformations of the planar polyelectrolyte brushes in salt-free solution…
We report measurements of the Fermi surface (FS) of the ternary iron-phosphide SrFe2P2 using the de Haas-van Alphen effect. The calculated FS of this compound is very similar to SrFe2As2, the parent compound of the high temperature superconductors. Our data show that the Fermi surface is composed of two electron and t…
The use of 1,4-phenylene-containing tripyrrane analogs provides a general route to expanded p-benziporphyrins. The course of macrocyclization shows a striking dependence on the steric bulk of meso substituents.
It has been considered that FeAs-based high-transition temperature (high-${T}_{\text{c}}$) superconductors need electron or hole doping by aliovalent-ion substitution or large off stoichiometry in order to induce superconductivity. We report that exposure of undoped ${\text{SrFe}}_{2}{\text{As}}_{2}$ epitaxial thin fi…
A detailed and systematic electron trapping study was conducted in the scientifically important wide band-gap materials ${\text{LuPO}}_{4}$ and ${\text{YPO}}_{4}$ doubly doped with ${\text{Ce}}^{3+}$ and ${\text{Ln}}^{3+}$ ($\text{Ln}=\text{Sm}$, Dy, Ho, Er, Tm). By using vacuum-ultraviolet luminescence spectroscopy a…
We report first principles calculations on the magnetism and electronic structures for nitrogen-doped anatase TiO2 (N:TiO2). Our calculations indicate that magnetic state is the ground state for N:TiO2 systems. An isolated N atom produces a total magnetic moment of 1.00μB and introduces spin-polarized 2p states in the…
A dense amorphous form of silica was prepared at high pressure from the highly compressible, siliceous zeolite, silicalite-1-F. Reverse Monte Carlo modeling of total X-ray scattering data shows that the structure of this novel amorphous form of SiO(2) recovered under ambient conditions is distinct from vitreous SiO(2)…
Metallization in pure hydrogen has been proposed to give rise to high-temperature superconductivity at pressures which still lie beyond the reach of contemporary experimental techniques. Hydrogen-dense materials offer an opportunity to study related phenomena at experimentally achievable pressures. Here we report the…
The molecular beam epitaxy of SrTiO3 (STO) layers on Si (001) is studied, focusing on the early stages of the growth and on the strain relaxation process. Evidence is given that even for optimized growth conditions, STO grows initially amorphous on silicon and recrystallizes, leading to the formation of an atomically…
Although microbes have been used in industrial and niche applications for several decades, successful immobilization of microbes while maintaining their usefulness for any desired application has been elusive. Such a functionally bioactive system has distinct advantages over conventional batch and continuous-flow micr…
We present water droplets that undergo spontaneous self-directed motion upon contact with a chemically patterned nanotextured surface with wedge-shaped gradient. The surface exhibits two distinct wetting properties and low hysteresis. The droplet velocity depends on the droplet position and gradient angle. A wide rang…
We investigate the optical properties of ultraviolet range emission from high quality tin oxide nanowires prepared by vapor-liquid-solid growth technique. Temperature dependent photoluminescence (PL) measurement is performed between 10 and 300 K. At low temperatures, the PL originates from radiative recombination of e…
A typical superhydrophobic surface is essentially nonadhesive and exhibits very low water contact angle (CA) hysteresis, so-called Lotus effect. However, leaves of some plants such as scallion and garlic with an advancing angle exceeding 150° show very serious CA hysteresis. Although surface roughness and epicuticular…
Triphenylene (TP) derivatives bearing appropriate paraffinic side chains with imidazolium ion-based ionic liquid (IL) pendants were unveiled to display a phase diagram with liquid crystalline (LC) mesophases of bicontinuous cubic (Cub(bi)) and hexagonal columnar (Col(h)) geometries. While their phase transition behavi…
We propose a device for the generation of valley polarized electronic current in bilayer graphene. By analyzing the response of this material to intense terahertz frequency light in the presence of a transverse electric field, we demonstrate that dynamical states are induced in the gapped energy region, and if the sys…
By using first-principles tight-binding electronic structure calculation and Boltzmann transport equation, we investigate the size dependence of thermoelectric properties of silicon nanowires (SiNWs). With cross section area increasing, the electrical conductivity increases slowly, while the Seebeck coefficient reduce…
Holes confined in single InAs quantum dots have recently emerged as a promising system for the storage or manipulation of quantum information. These holes are often assumed to have only heavy-hole character and further assumed to have no mixing between orthogonal heavy hole spin projections (in the absence of a transv…