Electrostatic field tensities near irregularities of porous silicon surface
Equilibrium spatial structure of the Si89(OH)43 H36 cluster model simulated for a pyramid-like formation on porous silicon surface has been calculated within the frameworks of density functional. Distribution of electronic charge and static field is got.
Подобные документы
To study the activity of functional groups of polyurethanes, the characteristics of the stabilization process, the formation of silver nanoparticles. The use of antimicrobial polymeric materials. The interaction of hydrogen bonds between groups of biuret.
статья, добавлен 30.07.2016Study of the changes in the crystal structure of the material during thermal treatment and the effects of these changes on the properties of the material. Possibility of prediction of the changes of graphene oxide material during thermal processing.
статья, добавлен 20.03.2024Physical parameter models. Thermodynamic parameter models. Brief review of the relationship between the solution model and phase equilibria. The modified quasi chemical (MQC) model. Basic quasi chemical theory. The modified binary quasi-chemical theory.
статья, добавлен 10.04.2017The crystal structure of racemate R,S-7-bromo-3-ethoxy-5-phenyl-3H-1,4-benzodiazepine- has been compared to the structure of R-enantiomer. It has been determined that crystals of R-enantiomer and R,S-racemate are formed by the similar H-bonded chains.
статья, добавлен 01.03.2014Phase analysis and the crystal structure of the compounds has been investigated by means of X-Ray analysis. Magnetic properties of two synthesised compounds were investigated revealing paramagnetic behaviour in whole investigated temperature range.
статья, добавлен 20.07.2022Catalytic, electrical, optical and magnetic properties of cobalt sulfide. Chemical structure and application of inorganic compounds and salts the sulfurous acid. Brief description of the structure of pyrite. Methods for the synthesis of the metals.
статья, добавлен 30.07.2016The combination of a macrocyclic platform and alfa-hydroxymethylphosphonate group for the inhibition activities of compounds. Computer-simulated docking studies using AutoDock 4.2 programme by the example of PTP1B. Stereoisomeric forms of the inhibitors.
статья, добавлен 29.01.2016The implementation of the process of aggregation of the nanofiller in the production of nanocomposites polymer/carbon nanotubes, formation of nanotubes ropes and their bending. Effect of ultrasound on aggregation of carbon nanotubes of the second type.
статья, добавлен 23.02.2016Silicides of rare earth metals. Crystallographic data for a binary compound in Pr-Si and Zr-Si systems. Study of the structure of the binary compound Zr3Si2. Analytical correction of absorption. Displacement parameters and interatomic distances.
статья, добавлен 23.02.2017The X-ray diffraction study of the isotypic structures of I and II reveals that the crystal structure consists of three structural units. The coordination polyhedron of the lanthanide atom. Atomic coordinates and equivalent displacement parameters.
статья, добавлен 23.02.2017Hydrogenation of these oxygen-stabilized n-phases with Ti2Ni-type structure proceeds through expansion of their unit cells by 15.5 and 17.3%, respectively, without change of the type of metal matrix. Insertion of deuterium atoms into the metal matrix.
статья, добавлен 23.02.2017- 87. Synthesis and crystal structure of an Ag(I) complex of composition (C9H7N(C3H5))2[AgBr2]Br(H2O)2
Coordination behavior of Ag (I) with cations of N-allyl quinolinium. Synthesis of N-allyl quinolinium bromide. Determination of the structure of the x-ray crystal. Bromine ions of the second crystallographic type. Study silver nitrate compounds.
статья, добавлен 23.02.2017 - 88. The molecular structure and chromatographic parameters of calix[4]аrеnehydroxymethylphosphonic acids
A basic chromatographic characteristics of biologically significant calix[4]аrenehydroxymethylphosphonic acids. A study sodium salts in a reversed-phase high-performance liquid chromatography. The structure of calix[4]аrenehydroxymethylphosphonic acids.
статья, добавлен 05.03.2014 Investigation of optical absorption spectra of YAG: Cr, Mg, and GGG: Cr, Mg films during high-temperature annealing in oxidation and reduction atmospheres. Factors to increase in absorption in the visible region, the charge exchange of chromium ions.
статья, добавлен 29.09.2016Electrochemical lithiation reactions of electrodes made of R5M3 alloys were studied in an organic electrolyte containing LiPF6 salt, using the conventional charge-discharge technique, and the reaction products were analyzed by X-ray powder diffraction.
статья, добавлен 23.02.2017Synthesis of two rare-earth nickel silicide PrNi9Si4 and NdNi9Si4. Their crystal structures, refined from X-ray powder diffraction data, structure type. The two compounds as Curie-Weiss paramagnets due to magnetic moments carried on the rare-earth atoms.
статья, добавлен 23.02.2017The use of a sorbent to study the preliminary concentration of V (V) ions in the liquid phase. Establishment of optimal conditions for sorption. Influence of the concentration of metal ions and the time of reaching chemical equilibrium on sorption.
статья, добавлен 27.02.2021Study of influence of amino acids on the hydroxyapatite formation. Study of mineral obtained by transmission electron microscopy and powder X-ray diffraction. Analysis of the phase composition, crystal size and lattice microstrains of calcium phosphate.
статья, добавлен 23.12.2016The degree of germination is calculated from the number of germinated seeds. To determine the effect of salt solutions on the growth dynamics of the aerial parts of plants and roots in laboratory conditions, observations and measurements are carried.
статья, добавлен 12.12.2024Considers an opportunity and the effectiveness of using the solutions treated with low-temperature non-equilibrium contact plasma in order to intensify dissolution of metal gold in cyanide leaching solutions. Comparison of activation energies of the gold.
статья, добавлен 27.07.2016Kinetic regularities of epoxy resins modification by aliphatic and aromatic dibasic acids have been studied. The effective rate constants and activation energies of the reactions between epoxy resin and acids by different nature have been calculated.
статья, добавлен 30.08.2016Point defects in doped crystals PbTe:Sb and solid solutions. The dependence of the concentration of dominant point defects, charge carriers from the amount of alloying compounds and the magnitude of the initial deviation from stoichiometry in the matrix.
статья, добавлен 24.02.2016Investigation of the influence of electronic effects of substitution of maleic anhydride with hydrazine in acetic acid. Determination of CO stretching vibrations in the middle of the strip plane strain. Characteristics of magnetic shifts quinazolines.
статья, добавлен 17.02.2014Synthesis of block copolymers via the polymerization of methyl methacrylate initiated by Ce4 - PEG system using a functional peroxidecontaining the services of an agent. Rheological and colloidal-chemical characteristics of new polyampholitic surfactant.
статья, добавлен 23.02.2016Carboxymethyl cellulose as the one of largest and most widely used ether. Creating a uniform distribution of reagents in the area of chemical reactions - the process which underlying the modeling of macrokinetics carboxymethylation of cellulose.
статья, добавлен 05.12.2018