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Общее количество найденных документов : 34
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 1-20    21-34 
1.

Вид документа : Статья из журнала
Шифр издания : 53/C 74
Автор(ы) : Galashev A. E., Polukhin V. A., Izmodenov I. A., Galasheva O. A.
Заглавие : Computer Study of Glass-Like and Amorphous Silicon Nanoparticles
Место публикации : Поверхность. - 2006. - N 1. - С. 41-49: il., tabl. - ISSN 0207-3528. - ISSN 0207-3528
Примечания : Bibliogr.: p. 48-49 (26 ref.)
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): glass-like and amorphous--silicon nanoparticles--voronoi polyhedra construction
Аннотация: Structural properties of vitreous and amorphous silicon nanoparticles containing 300, 400 and 500 atoms were investigated by the molecular dynamics method. The calculated nanoparticles radial distribution Functions and angular distributions of adjoining atoms were compared with the appropriate bulk Si-glass functions. The structure of the central part of silicon nanoparticles was investigatied in detail with the assistance of Voronoi polyhedra construction. The prevalence of five and six fold rings in Si-glasses nanoparticles and the domination of pentagons in amorphous silicon particles were revealed. The lengths of the Si-Si bonds and the number of bonds per atom were determined for nanoparticles under investigated conditions
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2.

Вид документа : Статья из журнала
Шифр издания : 53/C 74
Автор(ы) : Galashev A. E., Polukhin V. A., Izmodenov I. A., Galasheva O. A.
Заглавие : Computer Study of Glass-Like and Amorphous Silicon Nanoparticles
Место публикации : Поверхность. - 2006. - N 1. - С. 41-49: il., tabl. - ISSN 0207-3528. - ISSN 0207-3528
Примечания : Bibliogr.: p. 48-49 (26 ref.)
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): glass-like and amorphous--silicon nanoparticles--voronoi polyhedra construction
Аннотация: Structural properties of vitreous and amorphous silicon nanoparticles containing 300, 400 and 500 atoms were investigated by the molecular dynamics method. The calculated nanoparticles radial distribution Functions and angular distributions of adjoining atoms were compared with the appropriate bulk Si-glass functions. The structure of the central part of silicon nanoparticles was investigatied in detail with the assistance of Voronoi polyhedra construction. The prevalence of five and six fold rings in Si-glasses nanoparticles and the domination of pentagons in amorphous silicon particles were revealed. The lengths of the Si-Si bonds and the number of bonds per atom were determined for nanoparticles under investigated conditions
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3.

Вид документа : Статья из журнала
Шифр издания : 53/C 74
Автор(ы) : Galashev A. E., Izmodenov I. A., Rakhmanova O. R., Novruzova O. A.
Заглавие : Computer study of physical and chemical properties of stretched noncrystalline silicon nanoparticles
Место публикации : Poverkhnost. - 2007. - № 8. - С. 95-103
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): physical properties
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4.

Вид документа : Статья из журнала
Шифр издания : 53/C 74
Автор(ы) : Galashev A. E., Izmodenov I. A., Rakhmanova O. R., Novruzova O. A.
Заглавие : Computer study of physical and chemical properties of stretched noncrystalline silicon nanoparticles
Место публикации : Poverkhnost. - 2007. - № 8. - С. 95-103
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): physical properties
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5.

Вид документа : Статья из журнала
Шифр издания : 53/C 74
Автор(ы) : Galashev A. E., Izmodenov I. A., Novruzov A. N., Novruzova O. A.
Заглавие : Computer study of physical properties of silicon nanostructures
Место публикации : Semiconductors. - 2007. - Vol. 41, № 2. - С. 190-196
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): physical properties
Аннотация: The method of molecular dynamics is applied to the study of variations in the physical properties of vitreous and amorphous silicon nanoparticles when heated from 300 to 1700 K. The nanoparticles consist of 300, 400, and 500 atoms. The energy and the average length of the Si-Si bond are calculated, and the average number of bonds per atom is determined. Thermally induced strains tend to change the distribution of the excess potential energy among the concentric layers in the nanoparticles. It is shown that, energetically, the most preferential layer is the middle spherical layer of the “warm” nanoparticle. The temperature behavior of the radial and tangential components of the atomic mobility coefficient in the concentric layers is considered. It is established that there is a liquid layer at the nanoparticle surface in the vicinity of the transition to melting. The vitrified Sisubn/sub nanoparticles are kinetically more stable than the similar-sized amorphous particles.
\\\\Expert2\\NBO\\Semiconductors (ФТП)\\2007, v.41, N 2, p.190.pdf
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6.

Вид документа : Статья из журнала
Шифр издания : 53/C 74
Автор(ы) : Galashev A. E., Izmodenov I. A., Novruzov A. N., Novruzova O. A.
Заглавие : Computer study of physical properties of silicon nanostructures
Место публикации : Semiconductors. - 2007. - Vol. 41, № 2. - С. 190-196
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): physical properties
Аннотация: The method of molecular dynamics is applied to the study of variations in the physical properties of vitreous and amorphous silicon nanoparticles when heated from 300 to 1700 K. The nanoparticles consist of 300, 400, and 500 atoms. The energy and the average length of the Si-Si bond are calculated, and the average number of bonds per atom is determined. Thermally induced strains tend to change the distribution of the excess potential energy among the concentric layers in the nanoparticles. It is shown that, energetically, the most preferential layer is the middle spherical layer of the “warm” nanoparticle. The temperature behavior of the radial and tangential components of the atomic mobility coefficient in the concentric layers is considered. It is established that there is a liquid layer at the nanoparticle surface in the vicinity of the transition to melting. The vitrified Sisubn/sub nanoparticles are kinetically more stable than the similar-sized amorphous particles.
\\\\Expert2\\NBO\\Semiconductors (ФТП)\\2007, v.41, N 2, p.190.pdf
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7.

Вид документа : Статья из журнала
Шифр издания : 53/C 74
Автор(ы) : Galashev A. E., Polukhin V. A., Izmodenov I. A., Galasheva O. A.
Заглавие : Computer study of structure of vitreous and amorphous silicon nanoparticles
Место публикации : Poverkhnost. - 2006. - № 1. - С. 41-49
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): silicon
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8.

Вид документа : Статья из журнала
Шифр издания : 53/C 74
Автор(ы) : Galashev A. E., Polukhin V. A., Izmodenov I. A., Galasheva O. A.
Заглавие : Computer study of structure of vitreous and amorphous silicon nanoparticles
Место публикации : Poverkhnost. - 2006. - № 1. - С. 41-49
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): silicon
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9.

Вид документа : Статья из журнала
Шифр издания : 53/C 74
Автор(ы) : Galashev A. E., Izmodenov I. A., Novruzova O. A., Novruzov A. N.
Заглавие : Computer study of temperature dependence of physical properties of noncrystalline silicon nanoparticles
Место публикации : Poverkhnost. - 2007. - № 5. - С. 74-81
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): physical properties
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10.

Вид документа : Статья из журнала
Шифр издания : 53/C 74
Автор(ы) : Galashev A. E., Izmodenov I. A., Novruzova O. A., Novruzov A. N.
Заглавие : Computer study of temperature dependence of physical properties of noncrystalline silicon nanoparticles
Место публикации : Poverkhnost. - 2007. - № 5. - С. 74-81
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): physical properties
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11.

Вид документа : Статья из журнала
Шифр издания : 53/E 43
Автор(ы) : Galashev A. E., Polukhin V. A., Izmodenov I. A., Galasheva O. A.
Заглавие : Elastic properties and stability of crystalline silicon nanoparticles. Computer experiment.
Место публикации : Poverkhnost. - 2007. - № 10. - С. 60-67
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): elastic properties
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12.

Вид документа : Статья из журнала
Шифр издания : 53/E 43
Автор(ы) : Galashev A. E., Polukhin V. A., Izmodenov I. A., Galasheva O. A.
Заглавие : Elastic properties and stability of crystalline silicon nanoparticles. Computer experiment.
Место публикации : Poverkhnost. - 2007. - № 10. - С. 60-67
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): elastic properties
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13.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Izmodenov I. A.
Заглавие : Computer investigation of the structure of Si73 clusters surrounded by hydrogen
Место публикации : Glass Physics and Chemistry. - 2008. - Vol. 34, № 2. - С. 173-181
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): hydrogen
Аннотация: The stabilization of the structure of Si73 clusters that are surrounded by 60 hydrogen atoms and subjected to seventeenfold stepwise heating from 35 to 1560 K (in steps of ?90 K) is investigated using the molecular dynamics method. The analysis is performed for clusters of three types, i.e., a particle assembled from an icosahedron and a fullerene, a nanocrystal, and a particle with a random atomic packing. In all cases, an increase in the temperature in the course of heating is accompanied by evaporation of a Si atom from the clusters and an increase in the size of silicon particles. The temperature of detachment of Si atoms from clusters is lowest for the cluster with a random atomic packing and highest for the nanocrystal. The nanoassembled particle has the most stable number (close to four) of Si-Si bonds per atom over the entire temperature range 35 ? T ? 1560 K. For each type of Si73 clusters, the mean length of the Si-Si bond decreases with an increase in the temperature. According to the radial distribution functions, the Si73 clusters have different structures even at the temperature T = 1560 K. The distributions of bond angles reflect the presence of fourfold symmetry elements in the nanoassembled cluster and the nanocrystal. The relative depth of “penetration” of hydrogen atoms into the cluster is largest for the nanocrystal and smallest for the nanoassembled nanoparticle. The largest number of hydrogen atoms is “adsorbed” on the particle with a random atomic packing.
\\\\Expert2\\NBO\\Glass Physics and Chemistry\\2008, v. 34, N 2, p.173.pdf
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14.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Izmodenov I. A.
Заглавие : Computer investigation of the structure of Si73 clusters surrounded by hydrogen
Место публикации : Glass Physics and Chemistry. - 2008. - Vol. 34, № 2. - С. 173-181
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): hydrogen
Аннотация: The stabilization of the structure of Si73 clusters that are surrounded by 60 hydrogen atoms and subjected to seventeenfold stepwise heating from 35 to 1560 K (in steps of ?90 K) is investigated using the molecular dynamics method. The analysis is performed for clusters of three types, i.e., a particle assembled from an icosahedron and a fullerene, a nanocrystal, and a particle with a random atomic packing. In all cases, an increase in the temperature in the course of heating is accompanied by evaporation of a Si atom from the clusters and an increase in the size of silicon particles. The temperature of detachment of Si atoms from clusters is lowest for the cluster with a random atomic packing and highest for the nanocrystal. The nanoassembled particle has the most stable number (close to four) of Si-Si bonds per atom over the entire temperature range 35 ? T ? 1560 K. For each type of Si73 clusters, the mean length of the Si-Si bond decreases with an increase in the temperature. According to the radial distribution functions, the Si73 clusters have different structures even at the temperature T = 1560 K. The distributions of bond angles reflect the presence of fourfold symmetry elements in the nanoassembled cluster and the nanocrystal. The relative depth of “penetration” of hydrogen atoms into the cluster is largest for the nanocrystal and smallest for the nanoassembled nanoparticle. The largest number of hydrogen atoms is “adsorbed” on the particle with a random atomic packing.
\\\\Expert2\\NBO\\Glass Physics and Chemistry\\2008, v. 34, N 2, p.173.pdf
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15.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Polukhin V. A.
Заглавие : Computer-assisted study of silver absorption by porous silicon dioxide nanoparticles
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2011. - Vol.73, №6. - С. 761-767
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): ir absorption--stretching vibrations--surface groups
Аннотация: The absorption of silver atoms by porous silicon dioxide particles is studied by the molecular dynamics method. Upon the absorption of silver atoms, (SiO 2) 50 nanoparticles do not increase their volume. A particle is divided into two unequal parts by an island shell formed from SiO 2 structural units, which causes anisotropy in the electrical and thermal conductivity of the nanocomposite. IR absorption and emission spectra, Raman spectra, as well as the number of electrons active with respect to IR radiation are calculated. The calculated absorption spectra show the mode corresponding to the stretching vibrations of Si-O surface groups. The addition of silver atoms to nanoparticles can enhance significantly the power of heat radiation emission
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16.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Polukhin V. A.
Заглавие : Computer-assisted study of silver absorption by porous silicon dioxide nanoparticles
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2011. - Vol.73, №6. - С. 761-767
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): ir absorption--stretching vibrations--surface groups
Аннотация: The absorption of silver atoms by porous silicon dioxide particles is studied by the molecular dynamics method. Upon the absorption of silver atoms, (SiO 2) 50 nanoparticles do not increase their volume. A particle is divided into two unequal parts by an island shell formed from SiO 2 structural units, which causes anisotropy in the electrical and thermal conductivity of the nanocomposite. IR absorption and emission spectra, Raman spectra, as well as the number of electrons active with respect to IR radiation are calculated. The calculated absorption spectra show the mode corresponding to the stretching vibrations of Si-O surface groups. The addition of silver atoms to nanoparticles can enhance significantly the power of heat radiation emission
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17.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R., Borisikhin A. A.
Заглавие : IR absorption and Raman spectra of silicon dioxide nanoparticles in the presence of water: Computer experiment
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol.72, №6. - С. 771-779
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): absorption coefficients--computer experiment--electromagnetic radiation
Аннотация: Interactions of (SiO 2) 50 clusters with 10, 20, 30, or 40 water molecules are studied by molecular dynamics method. Flat SiO 2 nanoparticle covered with a water layer is formed after the inclusion of water molecules into the cluster. As a rule, the integral intensity of IR and Raman spectra lowers after the absorption of H 2O molecules by the cluster. The power of IR radiation emitted by the cluster increases nonmonotonically with the addition of water molecules to the cluster. The absorption of water molecules by the cluster leads to a significant increase in the absorption coefficient and only a slight increase in the refractive index. The number of electrons participating in the interaction with electromagnetic radiation increases with the addition of water molecules to the cluster
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18.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R., Borisikhin A. A.
Заглавие : IR absorption and Raman spectra of silicon dioxide nanoparticles in the presence of water: Computer experiment
Место публикации : Colloid Journal (Translation of Kolloidnyi Zhurnal). - 2010. - Vol.72, №6. - С. 771-779
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): absorption coefficients--computer experiment--electromagnetic radiation
Аннотация: Interactions of (SiO 2) 50 clusters with 10, 20, 30, or 40 water molecules are studied by molecular dynamics method. Flat SiO 2 nanoparticle covered with a water layer is formed after the inclusion of water molecules into the cluster. As a rule, the integral intensity of IR and Raman spectra lowers after the absorption of H 2O molecules by the cluster. The power of IR radiation emitted by the cluster increases nonmonotonically with the addition of water molecules to the cluster. The absorption of water molecules by the cluster leads to a significant increase in the absorption coefficient and only a slight increase in the refractive index. The number of electrons participating in the interaction with electromagnetic radiation increases with the addition of water molecules to the cluster
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19.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R., Zemnukhova l. A.
Заглавие : Modeling the infrared and raman spectra of silicon dioxide clusters absorbing water
Место публикации : Russian Journal of Physical Chemistry A, Focus on Chemistry. - 2011. - Vol.85, №6. - С. 955-960
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): ir and raman spectra--molecular dynamics method--silicon dioxide clusters
Аннотация: The effect of absorbed water on the dielectric properties of silicon dioxide nanoparticles is studied by the molecular dynamic method. It is demonstrated using the model of flexible molecules that increasing the number of water molecules in the (SiO2)50 cluster to 40 results in an enhancement of absorption of infrared radiation over the frequency range 0 cm-1 ≤ ω ≤ 1000 cm-1. It is ascertained that the absorption of water molecules by the (SiO2)50 cluster considerably alters the shape of Raman spectra of light, smoothing all the peaks after the first one, and that water molecules are concentrated near the cluster surface formed by SiO2 structural units
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20.

Вид документа : Статья из журнала
Шифр издания : 53/G 15
Автор(ы) : Galashev A. E., Rakhmanova O. R., Zemnukhova l. A.
Заглавие : Modeling the infrared and raman spectra of silicon dioxide clusters absorbing water
Место публикации : Russian Journal of Physical Chemistry A, Focus on Chemistry. - 2011. - Vol.85, №6. - С. 955-960
ББК : 53
Предметные рубрики: ФИЗИКА
Ключевые слова (''Своб.индексиров.''): ir and raman spectra--molecular dynamics method--silicon dioxide clusters
Аннотация: The effect of absorbed water on the dielectric properties of silicon dioxide nanoparticles is studied by the molecular dynamic method. It is demonstrated using the model of flexible molecules that increasing the number of water molecules in the (SiO2)50 cluster to 40 results in an enhancement of absorption of infrared radiation over the frequency range 0 cm-1 ≤ ω ≤ 1000 cm-1. It is ascertained that the absorption of water molecules by the (SiO2)50 cluster considerably alters the shape of Raman spectra of light, smoothing all the peaks after the first one, and that water molecules are concentrated near the cluster surface formed by SiO2 structural units
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