Molecular design of ambipolar redox-active molecules II: closed-shell systems

This mini-review highlights key structural features that should be taken into account when creating ambipolar redox-active closed-shell metal-free molecules. This type of compound is strongly required for the fabrication of all-organic ‘poleless’ batteries and semiconductors. The suggested strategies aimed at stabilization of both oxidized (cationic) and reduced (anionic) redox-states are based on the comprehensive analysis of the most successful structures taken from the recent publications.     

Metamorphic InAs(Sb)/InGaAs/InAlAs nanoheterostructures grown on GaAs for efficient mid-IR emitters

High-efficiency semiconductor lasers and light-emitting diodes operating in the 3–5?μm mid-infrared (mid-IR) spectral range are currently of great demand for a wide variety of applications, in particular, gas sensing, noninvasive medical tests, IR spectroscopy etc. III-V compounds with a lattice constant of about 6.1?Å are traditionally used for this spectral range. The attractive idea to fabricate such emitters on GaAs substrates by using In(Ga,Al)As compounds is restricted by either the minimum operating wavelength of ～8?μm in case of pseudomorphic AlGaAs-based quantum cascade lasers or requires utilization of thick metamorphic In_xAl_1-xAs buffer layers (MBLs) playing a key role in reducing the density of threading dislocations (TDs) in an active region, which otherwise result in a strong decay of the quantum efficiency of such mid-IR emitters. In this review we present the results of careful investigations of employing the convex-graded In_xAl_1-xAs MBLs for fabrication by molecular beam epitaxy on GaAs (001) substrates of In(Ga,Al)As heterostructures with a combined type-II/type-I InSb/InAs/InGaAs quantum well (QW) for efficient mid-IR emitters (3–3.6?μm). The issues of strain relaxation, elastic stress balance, efficiency of radiative and non-radiative recombination at T?=?10–300?K are discussed in relation to molecular beam epitaxy (MBE) growth conditions and designs of the structures. A wide complex of techniques including in-situ reflection high-energy electron diffraction, atomic force microscopy (AFM), scanning and transmission electron microscopies, X-ray diffractometry, reciprocal space mapping, selective area electron diffraction, as well as photoluminescence (PL) and Fourier-transformed infrared spectroscopy was used to study in detail structural and optical properties of the metamorphic QW structures. Optimization of the growth conditions (the substrate temperature, the As₄/III ratio) and elastic strain profiles governed by variation of an inverse step in the In content profile between the MBL and the InAlAs virtual substrate results in decrease in the TD density (down to 3?×?10⁷ cm^?2), increase of the thickness of the low-TD-density near-surface MBL region to 250–300?nm, the extremely low surface roughness with the RMS value of 1.6–2.4?nm, measured by AFM, as well as rather high 3.5?μm-PL intensity at temperatures up to 300?K in such structures. The obtained results indicate that the metamorphic InSb/In(Ga,Al)As QW heterostructures of proper design, grown under the optimum MBE conditions, are very promising for fabricating the efficient mid-IR emitters on a GaAs platform.     

Stability of O3 + N2, O3 + O2 and O3 + CO2 double hydrates: DFT study

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Temperature and frequency dependence of the spin-lattice relaxation times of E′1 centers in neutron-irradiated quartz glass

Results are reported for measurements of the spin-lattice relaxation times of E′₁ centers in quartz glass, produced by neutron irradiation, with the measurements made at two frequencies 9.25 and 24.0 GHz over a wide temperature interval 1.5–300 K. The experimental data are interpreted on the basis of interaction mechanisms of the spins with two-level systems with excitation energies ∼6, ∼26, and ∼420 cm⁻¹. A small modification of the existing theory allows us to explain a number of features of the observed temperature and frequency dependence of the relaxation rate. The results are compared with the data available in the literature on spin-lattice relaxation of irradiation centers in crystalline quartz and quartz glass. Fiz. Tverd. Tela (St. Petersburg) 39, 1335–1337 (August 1997)     

Remarks on exact controllability for Stokes and Navier–Stokes systems

This Note deals with the controllability of Stokes and Navier–Stokes systems with distributed controls with support in possibly small subdomains. We first present a new global Carleman inequality for the solutions to Stokes-like systems that leads to the null controllability at any time T>0. Then, we present a local result concerning exact controllability to trajectories of the Navier–Stokes system. To cite this article: E. Fernández-Cara et al., C. R. Acad. Sci. Paris, Ser. I 338 (2004).     

Investigation of multicomponent fluoride optical materials in the UV spectral region: I. Single crystals of Ca1−x R xF2+x (R = Sc, Y, La, Yb, Lu) solid solutions

Crystalline materials that are transparent in the vacuum UV spectral region and currently used have been reviewed. Transmission of crystals of solid solutions with the fluorite structure Ca_1?x R _xF_2+x (R = Sc, Y, La, Yb, Lu) in the UV and vacuum UV spectral regions has been investigated. It is shown that application of different methods of purification of fluorides from some impurities can significantly improve the optical quality of fluoride multicomponent crystals in the short-wavelength spectral region.     

On Oscillation Criteria of Fourth Order Linear Differential Equations

The paper deals with oscillation criteria of fourth order linear differential equations with quasi-derivatives.     

Seizure warning algorithm based on optimization and nonlinear dynamics

There is growing evidence that temporal lobe seizures are preceded by a preictal transition, characterized by a gradual dynamical change from asymptomatic interictal state to seizure. We herein report the first prospective analysis of the online automated algorithm for detecting the preictal transition in ongoing EEG signals. Such, the algorithm constitutes a seizure warning system. The algorithm estimates STL_max, a measure of the order or disorder of the signal, of EEG signals recorded from individual electrode sites. The optimization techniques were employed to select critical brain electrode sites that exhibit the preictal transition for the warning of epileptic seizures. Specifically, a quadratically constrained quadratic 0-1 programming problem is formulated to identify critical electrode sites. The automated seizure warning algorithm was tested in continuous, long-term EEG recordings obtained from 5 patients with temporal lobe epilepsy. For individual patient, we use the first half of seizures to train the parameter settings, which is evaluated by ROC (Receiver Operating Characteristic) curve analysis. With the best parameter setting, the algorithm applied to all cases predicted an average of 91.7% of seizures with an average false prediction rate of 0.196 per hour. These results indicate that it may be possible to develop automated seizure warning devices for diagnostic and therapeutic purposes.Mathematics Subject Classification (1991):20E28, 20G40, 20C20