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21.
V. V. Bakhmet’ev K. A. Ogurtsov M. M. Sychov A. A. Kotomin S. A. Dushenok A. S. Kozlov Gu Xu 《Russian Journal of Applied Chemistry》2012,85(6):843-848
Method was developed for raising the brightness of photo- and electroluminescence from ZnS:Cu,Mn phosphor in dc and ac fields by preliminary shock-wave treatment of a starting zinc sulfide placed in a closed copper ampoule. 相似文献
22.
Jamnik J Kalnin JR Kotomin EA Maier J 《Physical chemistry chemical physics : PCCP》2006,8(11):1310-1314
In this paper we discuss the implementation of different equilibrium concentrations in each of the phases into the Maxwell-Garnett effective medium formula for diffusion in heterogeneous media. We put the derivation given by Kalnin et al., J. Phys. Chem. Solids, 2002, 63, 449, on safer grounds and extend it to non-dilute carrier concentrations. The relation to Maxwell's mixing rule is also elaborated. It is shown that the formula can not only successfully be applied to conductivity problems but also to describe steady state chemical diffusion in heterogeneous media such as polycrystalline samples. The comparison with the brick layer model corroborates these points but also shows that-in the case of heterogeneous media-one has to be cautious in applying steady state results to transient kinetics. 相似文献
23.
Cleaning action and surfactant properties of alkyl glucosides 总被引:1,自引:0,他引:1
O. D. Yakimchuk A. A. Kotomin M. B. Petel’skii V. N. Naumov 《Russian Journal of Applied Chemistry》2004,77(12):2001-2005
Cleaning action and surfactant properties of a series of alkyl glucosides, having high detergent power, emulsifying capacity, and biodegradability and low foaming capacity, were studied. The effects of various factors on the cleaning action of the surfactants and compositions on them were investigated, allowing prediction of the cleaning effect on the basis of data on physicochemical characteristics of the solutions and process parameters.Translated from Zhurnal Prikladnoi Khimii, Vol. 77, No. 12, 2004, pp. 2025–2030.Original Russian Text Copyright © 2004 by Yakimchuk, Kotomin, Petelskii, Naumov. 相似文献
24.
Statistical thermodynamics and density functional theory (DFT) formalisms are combined to analyze the phase competition of energetically preferable phases in (La1 − c,Src)CoO3 solid solutions upon LaCoO3 doping with Sr. La/Sr sublattice in ABO3 perovskite structure is considered as immersed in the field of CoO3 units and the superstructures that are stable with respect to the formation of antiphase domains are analyzed. The concentration‐dependent energy parameters determining the relative stability of the cubic superstructures (phases) are extracted. This allows us calculations of concentration‐ and temperature dependences of the long‐range order (LRO) parameters for different phases. The temperatures of the order–disorder phase transformations for energetically stable at T = 0 K phases are obtained. It is shown that the phase corresponding to the (La0.875,Sr0.125)CoO3 composition may exist at low temperatures. Nevertheless, already at room temperature it fails in the phase competition with the disordered (La1 − c,Src)CoO3 solid solution and the phase corresponding to the (La0.75,Sr0.25)CoO3 composition and thus hardly can be observed. 相似文献
25.
To obtain the electronic structure of both, perfect and imperfect ionic crystals the standard calculation scheme of the INDO semiempirical method is modified in order to consider the interaction of valence electrons with ionic cores more accurately than it has been done so far. The INDO parameters are optimized to reproduce a number of experimentally observed properties of a perfect LiF crystal. The parameters derived permit to reproduce quite well the distinctive properties of free F02, F−2, LiF molecules which is necessary for reliable calculations of the properties of intrinsic hole defects. 相似文献
26.
In order to compare Cu adhesion upon two kinds of perfect cubic (001) oxide surfaces: (i) TiO2‐ and BaO‐terminated substrates of partly covalent BaTiO3 and (ii) highly ionic MgO substrate, we have performed DFT‐LCAO calculations using a hybrid B3PW Hamiltonian. 2D symmetrical slabs used here contain seven BaTiO3 and five MgO substrate layers covered on both sides by submonolayers of ordered Cu atoms. The Cu periodic coverage density atop the surface oxygen anions was varied from 1/8 to 1/2 monolayer. Copper bonding on the BaTiO3(001) surface has been found to be noticeably stronger than that on ionic MgO(001). Cu adatoms attract the electron density from BaO‐terminated and donate it towards TiO2‐terminated BaTiO3(001) substrates, respectively, by an amount that is about threefold larger than for a Cu/MgO(001) interface. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
27.
The effects of non-equilibrium charge screening in mixtures of oppositely charged interacting molecules on surfaces are analyzed in a closed system. The dynamics of charge screening and the strong deviation from the standard Debye-Hückel theory are demonstrated via a new formalism based on computing radial distribution functions suited for analyzing both short-range and long-range spacial ordering effects. At long distances the inhomogeneous molecular distribution is limited by diffusion, whereas at short distances (of the order of several coordination spheres) by a balance of short-range (Lennard-Jones) and long-range (Coulomb) interactions. The non-equilibrium charge screening effects in transient pattern formation are further quantified. It is demonstrated that the use of screened potentials, in the spirit of the Debye-Hückel theory, leads to qualitatively incorrect results. 相似文献
28.
The procedure for calculating the energies of radiative tunneling transition between spatially separated electron and hole centres in ionic crystals based on semiempirical INDO calculation of a pair of close defects and on a further account of electronic polarization of a crystal due to defects has been presented. Pairs of an electron, F, and hole (H, Vk, V2) centres in KCl and LiF crystals are studied. The influence of close defect interaction and of polarization upon emitted photon energy has also been considered. It is shown that due to polarization this energy varies with a distance between defects in a more complicated way than shown in semiconductors. 相似文献
29.
30.
E. A. Pavlyuchkova A. Ya. Malkin S. V. Kotomin E. I. Frenkin I. D. Simonov-Emelyanov 《Polymer Science Series A》2018,60(4):515-522
The rheological properties of the acrylonitrile–styrene copolymer modified with hydrophobized montmorillonite Cloisite 30B and composites are studied in a wide range of shear rates and shear frequencies at a temperature of 230°C. It is shown that the filler insignificantly affects the viscoelastic properties of the compositions, but the viscosity of composite melts considerably increases at low shear rates and monotonically grows with increasing concentration, whereas at high shear rates the effective viscosity declines appreciably in the concentration range of about 0.3 vol %. 相似文献