Numerical analysis of near electromagnetic fields of a parabolic cylinder and a paraboloid of revolution

Translated from Chislennye Metody Resheniya Obratnykh Zadach Matematicheskoi Fiziki, pp. 119–127.     

On the relationship between the ionization potential and the work function: Metals

A relationship is analyzed between the ionization energy of atoms I and the work function φ of a metal composed of these atoms. The transition energy ∑=I?φ is assumed to be the sum of kinetic K and coulombic C contributions. Contribution K is calculated in the framework of a model of uniform gas of quasi-free electrons, and C is determined from experimental values of Σ. Calculations performed for a wide range of metals have shown that the dimensionless coefficients determining the Coulombic contribution C differ insignificantly between various groups of metals. The relationships obtained have been used for determining the work function of binary alloys.     

On the Seventieth Birthday of Yu.V. Pleskov

Russian Journal of Electrochemistry -     

Ordering of structural vacancies in vanadium monoxide of substoichiometric composition

The order-disorder phase transition in vanadium monoxide of substoichiometric compositions VO_y has been studied for the first time in situ by the Faraday method with a pendulum magnetic balance of the Domenically type. A minimum is found on the temperature dependence of the magnetic susceptibility of vanadium monoxide of different compositions at a temperature of about 700 K. X-ray diffraction analysis performed before and after measuring the magnetic susceptibility confirmed the change in the structure of vanadium monoxide and the possibility of atom-vacancy processes upon cooling and heating of the samples.     

Complete caps in projective spaces PG (n, q)

A computer search in the finite projective spaces PG(n, q) for the spectrum of possible sizes k of complete k-caps is done. Randomized greedy algorithms are applied. New upper bounds on the smallest size of a complete cap are given for many values of n and q. Many new sizes of complete caps are obtained.     

Non-Steady-State Natural Convection in a Model Electrochemical System with Vertical and Horizontal Plane Electrodes

Non-steady-state mass-transfer processes in the electrochemical cells of rectangular cross-section with vertical and horizontal electrodes under the conditions of natural convection are simulated numerically taking into account the diffusion and convection of solely ions discharging at the electrode under limiting-current conditions. The interrelated time variations of the limiting current density at various ratios of the electrode height (length) to the interelectrode distance and the distributions of ion concentration and hydrodynamic velocity over the cell are determined.     

Electrical properties of Si-SiO2 systems after the application of a magnetic field

Weak-signal methods are used to study long-term changes in the electrophysical and photoelectric properties of Si-SiO₂ systems of n- and p-type semiconductors after the action of a steady magnetic field of 10² Oe. It is found that the field electrode can produce regions characterized by the anomalous recombination, migration, and transformation of nonequilibrium charge carriers, leading to a quasi-oscillating change in the recombination activity of the semiconducting system. It is observed that the magnetically induced changes in the system depend on the impurity of composition of the semiconductor. The results obtained are attributed to the decomposition of the growth structures of complexes and subsequent clustering of the decomposition products at elastic stress sinks. Tomsk State Academy of Control Systems and Electronics. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 2, pp. 62–66, February, 1997.     

Rational incorporation of defects within metal–organic frameworks generates highly active electrocatalytic sites

The allure of metal–organic frameworks (MOFs) in heterogeneous electrocatalysis is that catalytically active sites may be designed a priori with an unparalleled degree of control. An emerging strategy to generate coordinatively-unsaturated active sites is through the use of organic linkers that lack a functional group that would usually bind with the metal nodes. To execute this strategy, we synthesize a model MOF, Ni-MOF-74 and incorporate a fraction of 2-hydroxyterephthalic acid in place of 2,5-dihydroxyterephthalic acid. The defective MOF, Ni-MOF-74D, is evaluated vs. the nominally defect-free Ni-MOF-74 with a host of ex situ and in situ spectroscopic and electroanalytical techniques, using the oxidation of hydroxymethylfurtural (HMF) as a model reaction. The data indicates that Ni-MOF-74D features a set of 4-coordinate Ni–O₄ sites that exhibit unique vibrational signatures, redox potentials, binding motifs to HMF, and consequently superior electrocatalytic activity relative to the original Ni-MOF-74 MOF, being able to convert HMF to the desired 2,5-furandicarboxylic acid at 95% yield and 80% faradaic efficiency. Furthermore, having such rationally well-defined catalytic sites coupled with in situ Raman and infrared spectroelectrochemical measurements enabled the deduction of the reaction mechanism in which co-adsorbed *OH functions as a proton acceptor in the alcohol oxidation step and carries implications for catalyst design for heterogeneous electrosynthetic reactions en route to the electrification of the chemical industry.

The allure of metal–organic frameworks (MOFs) in heterogeneous electrocatalysis is that catalytically active sites may be designed a priori with an unparalleled degree of control.     

Matrices with Heterogeneous Distribution of the Binding Sites for Immobilization of Biomacromolecules

The coupling of photosensitive reagents has been carried out with the goal of obtaining the predetermined distribution of binding sites either for “surface” or “spacial” immobilization of biomacromolecules. The correlation holds between light intensity and the number of readant groups emerged in a matrix.     

The [4Fe-4S](2+) cluster in reconstituted biotin synthase binds S-adenosyl-L-methionine

The combination of resonance Raman, electron paramagnetic resonance and M?ssbauer spectroscopies has been used to investigate the effect of S-adenosyl-l-methionine (SAM) on the spectroscopic properties of the [4Fe-4S]2+ cluster in biotin synthase. The results indicate that SAM interacts directly at a unique iron site of the [4Fe-4S]2+ cluster in BioB and support the hypothesis of a common inner-sphere mechanism for the reductive cleavage of SAM in the radical SAM family of Fe-S enzymes.