Materials Literature
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We report the construction of lipid-quantum dot (L-QD) bilayer vesicles by incorporation of the smallest (2 nm core size) commercially available CdSe/ZnS QD within zwitterionic dioleoylphosphatidylcholine and cationic 1,2-dioleoyl-3-trimethylammonium-propane lipid bilayers, self-assembling into small unilamellar vesic…
We investigate theoretically the spin-independent tunneling magnetoresistance effect in a graphene monolayer modulated by two parallel ferromagnets deposited on a dielectric layer. For the parallel magnetization configuration, Klein tunneling can be observed in the transmission spectrum but at specific oblique inciden…
The deposition of a metal on a foreign substrate is studied by means of grand canonical Monte Carlo simulations and a lattice-gas model with pair potential interactions between nearest neighbors. The influence of temperature and surface defects on adsorption isotherms and differential heat of adsorption is considered.…
Investigations within the local spin density functional theory (LSDF) of the intermetallic hydride system $ {\rm CeRhSnH_x} $ were carried out for discrete model compositions in the range $ 0.33 \leq x_H \leq 1.33 $. The aim of this study is to assess the change of the cerium valence state in the neighborhood of the e…
Electric field enhanced electron spin coherence is characterized using time-resolved Faraday rotation spectroscopy in n-type ZnO epilayers grown by molecular beam epitaxy. An in-plane dc electric field E almost doubles the transverse spin lifetime at 20 K, without affecting the effective g-factor. This effect persists…
We use an accurate implementation of density functional theory (DFT) to calculate the zero-temperature generalized phase diagram of the 4$d$ series of transition metals from Y to Pd as a function of pressure $P$ and atomic number $Z$. The implementation used is full-potential linearized augmented plane waves (FP-LAPW)…
We present a simple and scalable technique for the fabrication of solution processed and local-gated carbon nanotube field effect transistors (CNT-FETs). The approach is based on the directed assembly of individual single-walled carbon nanotubes from dichloroethane via AC dielectrophoresis (DEP) onto pre-patterned sou…
Performing molecular dynamics simulations for all-atom models, we characterize the conformational and structural relaxations of poly(ethylene oxide) and poly(propylene oxide) melts. The temperature dependence of these relaxation processes deviates from an Arrhenius law for both polymers. We demonstrate that mode-coupl…
Scandium nitride (ScN) is a semiconducting transition metal nitride for which there are not identified dopants. We present local density functional calculations, in supercell approach, for ScN doped with O and C in N-sites and Ca and Ti in Sc-sites. Small additions of these atoms have the effect of shifting the Fermi…
The synthesis and characterization of the pyrochlore solid solutions, Y2Ti2-xNbxO7-y, Lu2Ti2-xNbxO7-y, Y2Ti2-xTaxO7-y and Lu2TiTaO7-y (-0.4
Featuring dense spatial distributions of engineered metallic particles, electromagnetic metamaterials exhibit simultaneously negative values of both, dielectric permittivity and magnetic permeability, within a resonance frequency band called left-handed passband. Unusual electromagnetic properties are found resulting…
By using theoretical analysis and molecular dynamics simulations, we investigate the structure of colloidal crystals formed by nonmagnetic microparticles (or magnetic holes) suspended in ferrofluids (called inverse ferrofluids), by taking into account the effect of polydispersity in size of the nonmagnetic micropartic…
A molecular dynamics simulation is performed to investigate spatial scale of low energy excitation (LEE) in a single linear chain of united atoms. The self part of the dynamic structure function, $S_\mathrm{S}(q,ω)$, is obtained in a wide range in frequency space ($ω$) and reciprocal space ($q$). A broad peak correspo…
In this study, the growth of high density single-crystalline ZnO nanowires on patterned ZnO:Ga/SiO(2)/Si templates was reported. We also adsorbed Au nanoparticles onto nanowire surfaces and fabricated ZnO nanowire CO sensors. With 50 ppm CO gas, it was found that we could enhance the device sensitivities at 350 °C fro…
We evaluate the dispersion relation for massless fermions, described by the Dirac equation, and for zero-spin bosons, described by the Klein-Gordon equation, moving in two dimensions and in the presence of a one-dimensional periodic potential. For massless fermions, the dispersion relation shows a zero gap for carrier…
A review of the characteristics of hydrophobicity is presented, with the goal of investigating the relationship, if any, between the contact angle (a macroscopically observed property) and the slip length (a microscopic phenomenon). An analysis of simulations, and of their evolution through the years, sheds light on s…
Using density functional theory (DFT), we have investigated the structural and electronic properties of a prototype ZnO (6,0) zigzag single-walled nanotube (SWNT) with and without oxygen vacancy (V O ), as well as its potential application as a sensor for gas molecules O 2, H 2, CO, NH 3, and NO 2 . The DFT calculatio…
Me, myself, and dye: Core-unsubstituted perylene bisimide dyes bearing a melamine hydrogen-bonding unit link with cyanurates giving H- (red, see picture) and J-aggregates (green). In solution the aggregates can interconvert on thermal treatment or by changing the stoichiometry. In solid films the green to red color ch…
Uniform single-crystalline CeO 2 nano-octahedrons and nanorods were synthesized by a facile hydrothermal synthesis process only using Ce(NO 3 ) 3 ·6H 2 O as cerium resource and Na 3 PO 4 ·6H 2 O as mineralizer, into which no surfactant or template was introduced. By tuning the hydrothermal treatment time, the morpholo…
Nanotechnology continues to offer new materials and applications that will benefit society, yet there is growing concern about the potential health and environmental impacts of production and use of nanoscale products. Although hundreds of studies of nanomaterial hazards have been reported, due (largely) to the comple…