M. V. Bogdanova

Theoretical limit of localized surface plasmon resonance sensitivity to local refractive index change and its comparison to conventional surface plasmon resonance sensor.

In this paper, the theoretical sensitivity limit of the localized surface plasmon resonance (LSPR) to the surrounding dielectric environment is discussed. The presented theoretical analysis of the LSPR phenomenon is based on perturbation theory. Derived results can be further simplified assuming quasistatic limit. The developed theory shows that LSPR has a detection capability limit independent of the particle shape or arrangement. For a given structure, sensitivity is directly proportional to the resonance wavelength and depends on the fraction of the electromagnetic energy confined within the sensing volume. This fraction is always less than unity; therefore, one should not expect to find an optimized nanofeature geometry with a dramatic increase in sensitivity at a given wavelength. All theoretical results are supported by finite-difference time-domain calculations for gold nanoparticles of different geometries (rings, split rings, paired rings, and ring sandwiches). Numerical sensitivity calculations based on the shift of the extinction peak are in good agreement with values estimated by perturbation theory. Numerical analysis shows that, for thin (≤10 nm) analyte layers, sensitivity of the LSPR is comparable with a traditional surface plasmon resonance sensor and LSPR has the potential to be significantly less sensitive to temperature fluctuations.

Using metallic photonic crystals as visible light sources

In this paper we study numerically and experimentally the possibility of using metallic photonic crystals (PCs) of different geometries (log-piles, direct and inverse opals) as visible light sources. It is found that by tuning geometrical parameters of a direct opal PC one can achieve substantial reduction of the emissivity in the infrared along with its increase in the visible. We take into account disorder of the PC elements in their sizes and positions, and get quantitative agreement between the numerical and experimental results. We analyze the influence of known temperature-resistant refractory host materials necessary for fixing the PC elements, and find that PC effects become completely destroyed at high temperatures due to the host absorption. Therefore, creating PC-based visible light sources requires that low-absorbing refractory materials for embedding medium be found.

Atom-Economic Synthesis of Tris[2-(organylthio)ethyl]phosphine Oxides from Phosphine and Vinyl Sulfides

Abstract Phosphine, generated from elemental phosphorus in the system KOH-toluene-H2O, reacts with vinyl sulfides under free radical conditions (AIBN, dioxane, 65–70°C, atmospheric pressure) to form regiospecifically tris[2-(organylthio)ethyl]phosphines, which are readily oxidized in air to corresponding tris[2-(organylthio)ethyl]phosphine oxides.

Multiscale computer design of photonic crystal based materials for optical chemosensors

A multiscale method is proposed for modeling elements of optical chemosensors based on photonic crystals. The method is based on the first-principles quantum-chemical and electrodynamic calculations. A technique is proposed that takes into account electromagnetic emission sources in the framework of the finite-difference time-domain method. An end-to-end simulation of fluorescence in a photonic crystal is performed: the absorption and emission spectra of a dye on a substrate are calculated by quantum chemistry, and it is shown how the dye emission spectra are modified in a three-dimensional photonic crystal.

Nucleophilic addition of secondary phosphine sulfides to divinyl sulfoxide and divinyl sulfone

Secondary phosphine sulfides readily undergo addition to divinyl sulfoxide and divinyl sulfone in the presence of KOH (THF, 20–22°C, 1 h) with regiospecific formation of bis[2-(diorganylthiophosphoryl)-ethyl] sulfoxides and sulfones. A dramatic increase in the electrophilicity of the double bond in the monoadduct suggests transfer of the electron-acceptor effect of the thiophosphoryl group directly though space, due to its donor-acceptor interaction with the polarized S-O bond. It was demonstrated by the example of divinyl sulfoxide that, when performed with equimolar amounts of reactants and a weaker base (LiOH), the reaction can be stopped at the stage of formation of the monoadduct.

FDTD subcell graphene model beyond the thin-film approximation

A subcell technique for calculation of optical properties of graphene with the finite-difference time-domain (FDTD) method is presented. The technique takes into account the surface conductivity of graphene which allows the correct calculation of its dispersive response for arbitrarily polarized incident waves interacting with the graphene. The developed technique is verified for a planar graphene sheet configuration against the exact analytical solution. Based on the same test case scenario, we also show that the subcell technique demonstrates a superior accuracy and numerical efficiency with respect to the widely used thin-film FDTD approach for modeling graphene. We further apply our technique to the simulations of a graphene metamaterial containing periodically spaced graphene strips (graphene strip-grating) and demonstrate good agreement with the available theoretical results.

Multiscale modeling of current voltage curve for organic single layer device

In this paper the results of validation of originally developed device-modeling tool on realistic organic-based devices are presented. Hole-only devices with α-NPD as a hole conductive layer are modeled. All material properties of α-NPD are obtained from first-principles calculations at atomistic level, and charge carrier mobilities are calculated using the Monte-Carlo method. A comparison of the simulation results with experimental data obtained for real devices shows a good correspondence. We also performed the sensitivity analysis of calculated results to model parameters. It is shown that the uncertainty in the dispersion of site energies σ makes the largest contribution to the uncertainty of predicted current-voltage characteristic of an organic electronic device.

Outcoupling efficiency of OLEDs with 2D periodical corrugation at the cathode

We study theoretically the optical performance of organic light-emitting diodes (OLEDs) with 2D periodical corrugation at the cathode. We show how emergence of radiative surface plasmon resonances at the 2D corrugated cathode leads to the enhancement of the outcoupling efficiency of the OLED, which is primarily due to the outcoupling of emission generated by vertically oriented emitting excitons in the emission layer. We analyze the outcoupling efficiency of the OLED as a function of geometrical parameters of the corrugation and establish design rules for optimal outcoupling enhancement with the 2D corrugation at the cathode.

Surface plasmon polaritons and optical transmission through a vortex lattice in a film of type-II superconductor

The effect of optical transmission through an array of vortices in a type-II superconducting film subjected to a strong magnetic field is analyzed. The mechanism responsible for this effect is resonance transmission between two surface plasmon polaritons (SPPs) in the system. The SPP band gap in the system is studied as a function of magnetic field. The transmittance through a system consisting of one vortex embedded in such a film is computed using the finite difference time domain method. The control of transmission by varying magnetic field is analyzed. Applications of the studied phenomena for developing tunable sensors are discussed.