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   M 78


    Modeling of the Structure and Electronic Structure of Condensed Phases of Small Fullerenes C28 and Zn@C28 / A. N. Enyashin, V. V. Ivanovskaya, Yu. N. Makurin, A. L. Ivanovskii // Physics of the Solid State. - 2004. - Vol. 46, № 8. - P1569-1573 : il. - Bibliogr. : p. 1572-1573 (23 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КОНДЕНСИРОВАННЫЕ ФАЗЫ -- ФУЛЛЕРЕНЫ
Аннотация: A comparative analysis of the stability factors and electronic structure of two possible crystalline forms of small fullerene C28 and endohedral fullerene Zn@C28 with diamond and lonsdaleite structures is performed using a cluster model. Atoms of elements that, when placed inside C28 cages, have no significant effect on the stability of free small-fullerene molecules are shown to be able to dramatically change the electronic properties and reactivity of the C28 skeleton and to be favorable for forming small-fullerene crystalline modifications, which are covalent crystals. In contrast, if the presence of foreign atoms inside C28 cages stabilizes the isolated nanoparticles, then molecular crystals (such as C60 fullerites) are formed due to weak van der Waals forces

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   V 26


    Vanadyl and Titanium Glycolates as Precursors for the Preparation of Oxide Materials in the Form of Elongated Microparticles and Nanoparticles / V. N. Krasil'nikov, A. P. Shtin, O. I. Gyrdasova, I. V. Baklanova, L. A. Perelyaeva // Nanotechnologies in Russia . - 2008. - Vol. 3, № 1-2. - P106-111 : il. - Bibliogr. : p. 110-111 (14 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ГЛИКОЛЯТ ВАНАДИЛА -- ГЛИКОЛЯТ ТИТАНА -- ОКСИДЫ -- НАНОЧАСТИЦЫ
Аннотация: This paper reports on the results of investigations of the optimum conditions for the formation and properties of vanadyl and titanium glycolates of the compositions VO(OCH2CHO) and Ti(OCH2CH2O)2 with elongated crystals, as well as solid solutions of the composition Ti1–xVx(OCH2CH2O)2(0
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   E 43


    Electronic Structure and Magnetic States of Crystalline and Fullerene-Like Forms of Nickel Dichloride NiCl2 / A. N. Enyashin, N. I. Medvedeva, Yu. E. Medvedeva, A. L. Ivanovskii // Physics of the Solid State. - 2005. - Vol. 47, № 3. - P527-530 : il. - Bibliogr. : p. 530 (12 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ДИХЛОРИД НИКЕЛЯ -- ФУЛЛЕРЕНЫ -- ФЕРРОМАГНЕТИКИ -- СТЕХИОМЕТРИЯ
Аннотация: The electronic structure and magnetic properties of the crystalline and fullerene-like forms of nickel dichloride NiC² are investigated in the framework of the local spin density functional theory. It is demonstrated that the band gap can be reproduced in the energy band spectrum of the NiCl² compound with inclusion of the magnetic ordering in the calculation of the band structure. The metamagnetic nature of the NiCl² dichloride (i.e., the transition from an antiferromagnetic phase to a ferromagnetic phase in a weak magnetic field) is explained in terms of a small difference (0.025 eV/cell) between the total energies of the ferromagnetic and antiferromagnetic phases. Polyhedral three-shell nanoparticles of the NiCl² compound exhibit magnetic properties (the magnetic moment of nickel lies in the range 2.0–2.3 µβ). For isostructural nanoparticles of the FeCl² dichloride, the magnetic moment of iron is larger and falls in the range 4.2–4.5 µβ, whereas nanoparticles of the CdCl² dichloride are found to be nonmagnetic. The results of analyzing the interatomic interactions indicate that the composition of fullerene-like nanoparticles of the dichlorides under investigation can deviate from the 1 : 2 stoichiometric composition

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   G 96

    Gusev, A. I.
    Relationship between Triple and Pair Correlations in an AyB1-y Solid Solution with a Planar Hexagonal Lattice / A. I. Gusev // Physics of the Solid State. - 2008. - Vol. 50, № 12. - P2256-2260 : il. - Bibliogr. : p. 2260 (25 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ТВЕРДЫЕ РАСТВОРЫ -- ГЕКСАГОНАЛЬНАЯ РЕШЕТКА -- СТРУКТУРА АТОМНАЯ
Аннотация: An analytical relationship is found between triple correlations and nearest neighbor pair correlations in an AyB1 –y solid solution with a planar hexagonal lattice (plane group p6mm). The range of variations in the triple correlation is determined as a function of the composition of the AyB1 –y solid solution and the value of the pair correlation. It is assumed that periodically ordered planar hexagonal and square island nanostructures can be considered as solid solutions A1/4 3/4with vacancy sites and sites occupied by nanoparticles A . In this case, an ordered distribution of nanoparticles over the planar-lattice sites occurs because the nearest neighbor pair correlation is negative and has a maximum magnitude

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   E 58

    Enyashin, A. N.
    Atomic and Electronic Structures and Stability of Icosahedral Nanodiamonds and Onions / A. N. Enyashin, A. L. Ivanovskii // Physics of the Solid State. - 2007. - Vol. 49, № 2. - P392-397 : il. - Bibliogr. : p. 397 (25 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КАРБОНОВЫЕ НАНОЧАСТИЦЫ -- ФУЛЛЕРЕНЫ
Аннотация: The relative stability of alternative carbon nanoparticles with icosahedral symmetry, such as diamond-like nanocrystallites and multiwalled fullerenes (onions), is investigated using the parametric model and the density functional tight-binding (DFTB) method. It is demonstrated that an increase in the size of particles and their hydrogenation favor the stabilization of diamond-like nanocrystallites. The formation of “intermediate” nanostructures consisting of diamond-like nanocrystallites inside the fullerene cage is revealed. The electronic spectra of icosahedral carbon nanoparticles are calculated

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   M 88


    Mössbauer Spectroscopy Study of the EuO:Fe Spintronic Material / A. S. Borukhovich, N. I. Ignat’eva, K. I. Yanushkevich, A. I. Stognij, Yu. A. Fedotova // JETP Letters. - 2009. - Vol. 89, № 4. - P191-193 : il. - Bibliogr. : p. 193 (8 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
МЕССБАУЭРОВСКАЯ СПЕКТРОСКОПИЯ -- ОКСИД ЕВРОПИЯ
Аннотация: The states of iron and europium in the EuO:Fe composite spintronic material have been studied by means of room-temperature Mössbauer spectroscopy. In both cases, two sets of lines indicating the ferromagnetism and superparamagnetism of metallic iron nanoparticles in the composite and the appearance of a fraction of europium ions in the Eu3+ oxidation state in the matrix in addition to the main Eu2+ state have been observed in the respective spectra. In the europium case, the observation implies the possibility of a partial spin polarization of paramagnetic europium ions in Eu–Fe–O clusters and an increased specific magnetization of the composite

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   G 96

    Gusev, A. I.
    Triple Correlations in a AyB1-y Solid Solution with a Planar Hexagonal Lattice / A. I. Gusev // JETP Letters. - 2008. - Vol. 87, № 5. - P248-252 : il. - Bibliogr. : p. 251-252 (24 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ТВЕРДЫЕ РАСТВОРЫ -- ГЕКСАГОНАЛЬНАЯ РЕШЕТКА -- НАНОЧАСТИЦЫ
Аннотация: It is shown that triple correlations in a AyB1 –y solid solution with a planar hexagonal lattice are due to the presence of nearest-pair correlations. The admissible range of the triple correlation as a function of the composition of the AyB1 –y solid solution and pair correlation value is determined. It is shown that periodically ordered planar hexagonal and square-island nanostructures can be considered as A1/4 3/4 solid solutions with vacant sites and sites occupied by nanoparticles A. In this case, the ordered distribution of the nanoparticles over the sites of the planar lattice is caused by the nearest -air correlation that is negative in sign and maximal in absolute value

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   V 92

    Vorokh, A. S.
    Direct Space Visualization of the Short and “Average” Long Range Orders in the Noncrystalline Structure of a Single Cadmium Sulfide Nanoparticle / A. S. Vorokh, A. A. Rempel // JETP Letters. - 2010. - Vol. 91, № 2. - P100-104 : il. - Bibliogr. : p. 104 (16 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НАНОЧАСТИЦЫ -- СУЛЬФИД КАДМИЯ
Аннотация: A method has been proposed for identifying the noncrystalline structure of CdS nanoparticles in the direct space by interpreting an image obtained by high resolution transmission electron microscopy. The short and average long range orders and microstrains in the disordered close packed structure of the CdS nanoparticle have been visualized. It has been shown that the direct space image of the average lattice with the space group P6 appears due to the moiré effect in the noncrystalline structure

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   E 43


    Electronic structure, chemical bonding, and properties of binary carbides MxMy ′ Cz in the Crystalline and molecular states: XES, XPS, and quantum-chemical studies / V. M. Cherkashenko, S. Z. Nazarova, A. I. Gusev, A. L. Ivanovskii // Journal of Structural Chemistry. - 2001. - Vol. 42, № 6. - P1002-1024 : il. - Bibliogr. : p. 1021-1024 (103 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КАРБИДЫ БИНАРНЫЕ -- КВАНТОВО-ХИМИЧЕСКИЕ ИССЛЕДОВАНИЯ
Аннотация: This paper reviews the results of electronic structure studies and investigations of the nature of chemical bonding and properties of binary d-metal carbides in the crystalline and molecular states. X-ray emission and X-ray photoelectron spectroscopy as well as quantum-chemical data are analyzed, and variations of the electronic properties and interatomic interactions are discussed for carbides of high-melting metals doped on the metal sublattice and a series of their reciprocal solid solutions: NbC–TaC, TiC–VC0.87, TiC–NbC, and NbC–MoC0.67 over a wide range of compositions. Prospects are discussed for application of quantum-chemical methods to structure and property modeling and forecasting for a new class of molecular clusters — binary metallocarbohedrenes M8−nMn ′C12 and related metal–carbon nanoparticles of “mixed” composition

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10.

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   R 42

    Rempel, A. A.
    Iron nanoparticles in severe-plastic-deformed copper / A. A. Rempel, S. Z. Nazarova, A. I. Gusev // Journal of Nanoparticle Research. - 1999. - Vol. 1. - P485-490 : il. - Bibliogr. : p. 490

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Аннотация: Superparamagnetic iron nanoparticles with a size of a few nanometers were produced in copper by severe plastic deformation. In a isochronal annealing experiment near a temperature of 450 K, which corresponds to the temperature of structural relaxation and the first step of grain growth (from 128 to 150 nm) of submicrocrystalline copper, an abrupt increase in the magnetic susceptibility is detected. This increase is shown to be due to iron nanoparticles increasing in size from 2.8 to 3.3 nm. The vanishing of the ferromagnetic contribution by iron nanoparticles observed at 850 K, well below the Curie temperature of iron, is due to the dissolution of nanoparticles in plastically deformed copper

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11.

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   V 92

    Vorokh, A. S.
    Geometry of lead sulfide nanoparticles with a nacl-type structure / A. S. Vorokh, S. Z. Nazarova, N. S. Kozhevnikova // Mendeleev Communications. - 2014. - Vol. 24, № 1. - P55-57.

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НАНОЧАСТИЦЫ -- ДИФРАКЦИЯ РЕНТГЕНОВСКАЯ
Аннотация: The analysis of X-ray diffraction patterns showed that the geometry of PbS nanoparticles with a structure of NaCl is a nonlinear function of particle size for PbS particles smaller than 82 nm

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12.

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   S 12

    Sadovnikov, S. I.
    Chemical deposition of nanocrystalline lead sulfide powders with controllable particle size / S. I. Sadovnikov, A. I. Gusev // Journal of Alloys and Compounds. - 2014. - Vol. 586. - P105-112.

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
СУЛЬФИД СВИНЦА -- НАНОКРИСТАЛЛИЧЕСКИЕ ПОРОШКИ -- ОСАЖДЕНИЕ ХИМИЧЕСКОЕ -- РАЗМЕР ЧАСТИЦ
Аннотация: For the first time the systematic study of the effect of synthesis conditions (concentrations of reactants, the presence or lack of a complexing agent and its type, the exposure time of deposited PbS particles in the matrix solution) on the size of lead sulfide nanoparticles, their phase composition and the presence of impurity phases is performed. PbS nanopowders are synthesized by deposition from aqueous solutions of lead acetate and sodium sulfide in the presence of EDTA-H2Na2 or sodium citrate. It is found that the phase composition of the deposit and the size of the nanoparticles depend on the initial concentrations of lead and sulfur ions, the presence and type of complexing agents, as well as on the quantitative ratio between the content of lead ions and complexing ions in the solution. The possibility of controllable hydrochemical deposition of PbS nanoparticles with preassigned size from 5 to 55 nm is shown.

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13.

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   R 42


    Removal Of CR(VI) from aqueous solutions by magnetite nanoparticles with different sizes and crystal structure / O. Linnikov, I. Rodina, V. Shevchenko , I. Medvedeva, M. Uimin, N. Schegoleva, A. Yermakov , V. Platonov , V. Osipov // Desalination and Water Treatment . - 2014. - Vol. 52, № 1-3. - P324-330

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НАНОЧАСТИЦЫ -- СТРУКТУРА КРИСТАЛЛИЧЕСКАЯ

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14.

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   P 93


    Properties of the amorphous-nanocrystalline Gd2O3 powder prepared by pulsed electron beam evaporation / G. V. Ionov, S. Yu. Sokovnin, S. A. Uporov, M. G. Zuev // Physics of the Solid State. - 2013. - Vol. 55, № 6. - С. 1262-1271

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НАНОПОРОШКИ -- ФАЗОВЫЕ ПРЕВРАЩЕНИЯ -- ФОТОЛЮМИНЕСЦЕНЦИЯ
Аннотация: An amorphous-nanocrystalline Gd2O3 powder with a specific surface area of 155 m2/g has been prepared using pulsed electron beam evaporation in vacuum. The nanopowder consists of 20- to 500-nm agglomerates formed by crystalline nanoparticles (3–12 nm in diameter) connected by amorphous-nanocrystalline strands. At room temperature, the Gd2O3 nanopowder exhibits a paramagnetic behavior. The phase transformations occurring in the powder have been investigated using differential scanning calorimetry and thermogravimetry (40–1400°C). The amorphous phase of the nanopowder is thermally stable up to a temperature of 1080°C. It has been found that the amorphous phase has an inhibitory effect on the temperature of the polymorphic transformation from the cubic phase into the monoclinic phase. It has been revealed that, compared with the microcrystalline powder, the Gd2O3 nanopowder is characterized by a complete quenching of photoluminescence.

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15.

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   V 92

    Vorokh, A. S.
    Specific features of the shape of lead sulfide PbS nanoparticles according to x-ray diffraction and magnetic susceptibility data = Особенности формы наночастиц сульфида свинца PbS по данным рентгеноструктурного анализа и магнитной восприимчивости / A. S. Vorokh, S. Z. Nazarova, N. S. Kozhevnikova // Doklady Physical Chemistry. - 2014. - Vol. 454, № 1. - P21-24

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
СУЛЬФИД СВИНЦА -- НАНОЧАСТИЦЫ -- РЕНТГЕНГРАФИЯ

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16.

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   T 64


    Titanium-Doped Vanadium Oxide Nanorods / V. L. Volkov, G. S. Zakharova, E. G. Volkova, M. V. Kuznetsov // Russian Journal of Inorganic Chemistry. - 2006. - Vol. 51, № 6. - P847-851 : il. - Bibliogr. : p. 851 (14 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ТИТАН -- ОКСИД ВАНАДИЯ -- НАНОВОЛОКНА
Аннотация: Titanium-doped vanadium oxide nanorods of composition V0.95Ti0.05O2.33(C6H4)0.12 are hydrothermally manufactured from the V1.67Ti0.33O4.84·nH2O gel/hydroquinone (HQ) composite for 30–50 h at 150−180°C. The outer diameters of the nanoparticles are 20–40 nm, and their lengths are 150–300 nm. The X-ray photoelectron spectra, IR spectra, electrical conductivity, and thermal properties of the compound are investigated. When poly(vinyl alcohol) (PVA) is added to the gel instead of HQ, single nanorods 35 nm in diameter and 500 nm long, oval nanoparticles, and fibrous species are formed. The composition and structural characteristics of these oxides have not been determined

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17.

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   K 80

    Kozhevnikova, N. S.
    Preparation of Stable Colloidal Solution of Cadmium Sulfide CdS Using Ethylenediaminetetraacetic Acid / N. S. Kozhevnikova, A. S. Vorokh, A. A. Rempel // Russian Journal of General Chemistry. - 2010. - Vol. 80, № 3. - P391-394 : il. - Bibliogr. : p. 394 (19 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КОЛЛОИДНЫЕ РАСТВОРЫ -- СУЛЬФИД КАДМИЯ -- ОРГАНИЧЕСКАЯ ХИМИЯ
Аннотация: By the method of chemical condensation a stable aqueous colloidal solution of nanoparticles of cadmium sulfide was obtained. The solution obtained in the daylight had a bright lemon-yellow color. For the temporary stabilization of the solution was used an organic complexone, disodium ethylenediaminetetraacetate (EDTA), that prevented coagulation of colloidal particles up to several months at 4°C. At room temperature, the solution remained stable during a month. The structure and properties of the disperse phase were studied by the X-ray diffraction, optical fluorescence, and electron microscopy. The solid particles size is about 3 nm, they have a disordered close-packed structure with the space group P6mm and possess the photoluminescence color from green to orange depending on the duration of keeping the solution. The size of coagulates was 10 nm, 100 nm, and 1 μm after keeping for 1, 2, and 4 months, respectively

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18.

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   P 56


    Phase Composition and Some Properties of Titanium Carbonitride–Titanium Nickelide Alloys with Al2O3 Nanoparticles / A. E. Ermakov, I. V. MIsharina, I. G. Grigorov, V. G. Pushin, Yu. G. Zainulin // Russian Metallurgy (Metally). - 2009. - № 1. - P77-81 : il. - Bibliogr. : p. 81 (10 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
КАРБОНИТРИД ТИТАНА -- НИКЕЛИД ТИТАНА -- СПЛАВЫ
Аннотация: The phase formation in and the microstructure of titanium carbonitride–titanium nickelide alloys with aluminum oxide Al2O3 nanopowder additions are studied by X-ray diffraction, electron-microscopic, and electron-probe microanalyses. The phase interaction is characterized by the redistribution of nonmetallic elements and aluminum between refractory and binding phases with the formation of a nonstoichiometric titanium–aluminum (Ti,Al)(C,N) carbonitride and a titanium–aluminum nickelide. The number of forming phases and their compositions are controlled by the kinetic parameters of the process

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19.

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   I-65


    Inorganic Nanotubes and Fullerene-Like Structures (IF) / R. Tenne, M. Remiskar, A. N. Enyashin, G. Seifert // Topics in Applied Physics. - 2008. - Vol. 111. - P631-671 : il. - Bibliogr. : p. 660-669 (162 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
НЕОРГАНИЧЕСКИЕ НАНОТРУБКИ -- ФУЛЛЕРЕНОПОДОБНАЯ СТРУКТУРА
Аннотация: Back in 1992 it was proposed that nanoparticles of layered compounds will be unstable against folding and will close up into fullerene-like structures (IF) and nanotubes. In the years that followed nanotubes and fullerene-like structures were synthesized from numerous compounds with layered structure. More recently, crystalline and noncrystalline nanotubes of compounds with a 3D, i.e., quasi-isotropic lattice have been intensively investigated. In view of their eminent applications potential, much effort and substantial progress has been achieved in the scaling-up of the synthesis of inorganic nanotubes and fullerene-like nanoparticles of WS2 and MoS2 and also other compounds. Early on it was suggested that hollow nano-octahedra consisting of a few hundred MoS2 moieties make the true analogs of C60, etc. This notion has been advanced considerably in recent years through a combined experimental–theoretical effort. tribological applications and lately for impact resilient nanocomposites. These tests indicated that IF-MoS2 and IF-WS2 are heading for large-scale applications in the automotive, machining, aerospace, electronics, defense, medical and numerous other kinds of industries. A few products based on these nanoparticles have been recently commercialized by “ApNano Materials, Inc” (“NanoMaterials, Ltd.”, see also www.apnano.com). Most recently, a manufacturing facility for the commercialization of these nanomaterials has been erected and sales of the product started. Novel applications of inorganic nanotubes and fullerene-like nanoparticles in the fields of catalysis; microelectronics; Li rechargeable batteries; medical and optoelectronics will be discussed

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20.

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   E 58

    Enyashin, A. N.
    Structure and electronic characteristics of new graphyne-like fullerenes of boron nitride: quantum-chemical modelling / A. N. Enyashin, Yu. N. Makurin, A. L. Ivanovskii // Theoretical and Experimental Chemistry. - 2004. - Vol. 40, № 2. - P71-76 : il. - Bibliogr. : p. 75-76 (19 ref.)

ББК 54
Рубрики: ХИМИЧЕСКИЕ НАУКИ
Кл.слова (ненормированные):
ГРАФЕНОПОДОБНЫЕ ФУЛЛЕРЕНЫ -- НИТРИД БОРА -- КВАНТОВО-ХИМИЧЕСКОЕ МОДЕЛИРОВАНИЕ
Аннотация: Atomic models are proposed and quantum-chemical modelling is undertaken for hypothetical graphyne-like fullerenes of boron nitride. The electronic structure and interatomic interactions are discussed for the case of the B16N16 and B48N48 molecules. The proposed polyhedral boronnitrogen molecules, having stable dielectric characteristics and highly porous structure, may be of interest for the creation a family of new intercalated nanomaterials based on these nanoparticles

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