Materials Literature
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We investigate the stability of Cu-exposed ZnO(0001) surface structures in an oxygen environment using density functional theory and the method of ab initio atomistic thermodynamics. A two-dimensional phase diagram is constructed which identifies stable surface structures as a function of the copper and oxygen chemica…
The analysis of partial discharge (PD) contributes significantly to the evaluation of the status of insulation in terms of power equipment. In recent years, wavelet transform and equivalent bandwidth and time have been the most common various developing methods associated with noise suppression. This study introduces…
We report on multiphonon Raman scattering in graphene samples. Higher-order combination modes involving three and four phonons are observed in single-layer, bilayer, and few-layer graphene samples prepared by mechanical exfoliation. The intensity of the higher-order phonon modes (relative to the G peak) is highest in…
We report on the metal-insulator transition that occurs as a function of film thickness in ultrathin La0.75Sr0.25VO3 films. The metal-insulator transition displays a critical thickness of 5 unit cell. Above the critical thickness, metallic films exhibit a temperature driven metal-insulator transition with weak localiz…
Subtilisin was immobilized on polycaprolactam and used for food packaging applications to reduce the transference of microorganisms from the packaging material to the packaged food material. The optimized conditions for subtilisin immobilization was as follows: pH, 8; temperature, 4 °C; glutaraldehyde, 0.5%; incubatio…
The first-principles quantum mechanical investigation on CdS quantum dots (QDs) adsorbed on anatase TiO 2 nanotubes (TiO 2 NTs) in quantum dot-sensitized solar cells (QDSSCs) was performed using the density functional theory (DFT) approach. The geometry and electronic coupling between a CdS QD and the TiO 2 NT have be…
Bovine mastitis is the most costly disease affecting dairy cows and milk production. As Staphylococcus aureus is considered as a major pathogen due to its prevalence in dairy herds, contagious nature of infection, economic impact of treatment and control and its resistance to antimicrobial agents is a…
A label-free approach using plasmonic coupling interference (PCI) nanoprobes for nucleic acid detection using surface-enhanced Raman scattering (SERS) is described. To induce a strong plasmonic coupling effect, a nanonetwork of silver nanoparticles with the Raman label located between adjacent nanoparticles is assembl…
In this paper, the nonlinear forced-vibration of Euler-Bernoulli beams with large deflections is investigated based on the modified couple stress theory, a non-classical theory capable of capturing size effects. The classical theory is unable to predict the size effects. In systems with the dimensions in order of micr…
We report here an unusual ferroelectric to ferroelectric isostructural phase transition and associated giant negative thermal expansion (NTE) for the tetragonal composition x = 0.31 closest to the morphotropic phase boundary (MPB) of the multiferroic (1--x)BiFeO${}_{3}$--xPbTiO${}_{3}$ (BF-xPT) solid solution system.…
Deformation, plasticity, and flow in silica-based glasses have been studied for decades, and yet important questions remain about the atomistic mechanisms underlying these processes. Our molecular dynamics simulations of nanoindentation indicate that these mechanical processes have a unified underlying atomistic mecha…
Silber-Nanokristalle mit konkaven, hoch indizierten Oberflächen wurden durch Kontrolle des Habitus kubischer Ag-Kristallkeime auf einfache Weise hergestellt. Vier Arten konkaver Nanokristalle wurden erhalten: Oktaeder, Würfel, Oktapoden und Trisoktaeder (siehe Bild).
We have investigated the electronic and magnetic properties of the pulsed laser deposited epitaxial thin films of undoped and Fe doped (4 at. %) anatase TiO2−d by photoemission, magnetization measurements, and ab-initio band structure calculations. These films show room temperature magnetic ordering. It is observed th…
Multifunctional superparamagnetic materials based on porous solids have been prepared by an innovative, simple and easy procedure that implies their treatment with ferrofluids. Results support that this approach can be especially useful for technological, environmental and biomedical applications for replacing separat…
We have developed metal-oxide graphene field-effect transistors (MOGFETs) on sapphire substrates working at microwave frequencies. For monolayers, we obtain a transit frequency up to ∼80 GHz for a gate length of 200 nm and a maximum oscillation frequency of about ∼3 GHz for this specific sample. Given the strongly red…
Graphene/carbon nanotube (CNT) junctions were fabricated by depositing mechanically exfoliated graphene on substrate followed by direct chemical vapor deposition growth of CNT, and their electronic transport properties were investigated. Unlike metallic CNT/graphene junction with good contact, there exists an obvious…
Synthesis of silicon carbide-derived carbon films with excellent supercapacitor characteristics is demonstrated by a process that is fully compatible with standard microfabrication technology. NiTi alloy deposited on nitrogen-doped polycrystalline SiC films is shown to result in the growth of a rough, porous, high con…
We have investigated the transport and noise properties of a micron-sized Hall probe, fabricated on chemical vapor deposited (CVD) graphene, from 300 K to 4.2 K. The field sensitivity of the Hall probe was tunable within ∼0.031-0.12 Ω/G, while the field resolution could reach ∼0.43-0.09 G/Hz1/2 at room temperature. Th…
First-principles calculations are used to investigate the structural and electronic properties of Fe-doped ZnO nanoparticles. Based on extensive validation studies surveying various density functionals, the hybrid functional PBE0 is employed to calculate the structures, formation energies, and electronic properties of…
We investigate the photoluminescence behavior of individual CdSe nanocrystals attached to silica-coated Au nanoparticles. These hybrid nanostructures show enhanced photoluminescence intensity, suppressed off-states, as well as shorter lifetimes in comparison with the isolated CdSe nanocrystals. The very same investiga…