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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kirik S. D., Parfenov V. A., Zharkov S. M.
Заглавие : Monitoring MCM-41 synthesis by X-ray mesostructure analysis
Место публикации : Micropor. Mesopor. Mater.: Elsevier Science, 2014. - Vol. 195. - P.21-30. - ISSN 1387-1811, DOI 10.1016/j.micromeso.2014.04.012. - ISSN 1873-3093
Примечания : Cited References: 70. - The investigation was made with financial support of the Program of Presidium RAS (Project 24.37), RF State contracts No 02.740.11.0629, RFBR Grants: 11-03-00610a and 11-03-12161-ofi, RSF 14-13-000025.
Предметные рубрики: ORDERED MESOPOROUS MATERIALS
ORDERED MESOPOROUS MATERIALS
IN-SITU
POWDER DIFFRACTION
SILICA/SURFACTANT COMPOSITES
ELECTRON-MICROSCOPY
MOLECULAR-SIEVES
STABLE MCM-41
SILICA
ADSORPTION
Ключевые слова (''Своб.индексиров.''): hydrothermal stability--mcm-41--mesostructure--tem--x-ray diffraction
Аннотация: The electron density maps calculated from X-ray diffraction patterns of the mesoporous silica material MCM-41 present averaged mesostructure images which in contrast to transmission electron microscopy (TEM) images are exceptionally repeating and represent the whole sample. It was shown that the averaged mesostructure parameters such as a unit cell parameter, a pore diameter, a wall width, a pore shape estimated from the X-ray powder diffraction data in combination with the continuous electron density function approach allow monitoring continuous set of the silica framework states at different stages of the material synthesis. The mentioned technique supplemented by N 2-adsorption measurements and transmission electron microscopy was applied for consideration of the MCM-41 hydrothermal stability. Attention has been given to the variations of the synthesis conditions affecting the hydrothermal stability, in particular the maintaining the basicity of the synthesis solution as well the substitution of the synthesis solution with water or a salt solution at hydrothermal treatment. The averaged pore shape was observed to be changed from cylindrical to hexagonal-prismatic form. The observed wall thickness was in the range from 0.75 to 1.25 nm. The competition of silica polycondensation and surface hydrolysis was shown to be responsible for the variety of framework geometry and hydrothermal stability. It has been established that the pore diameter increases generally due to the osmotic pressure of water. If the pores acquire the average prismatic hexagonal shape, the sample has low hydrothermal stability. Under the conditions favorable for the polycondensation the pores have averaged cylindrical shape and material demonstrates higher hydrothermal stability. Cooperative mechanism of mesostructure destruction under hydrothermal conditions was observed using TEM data and was discussed in connection with irregular polycondensation. © 2014 Elsevier Inc. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mikhlin Y. L., Vishnyakova E. A., Romanchenko A. S., Saikova S. V., Likhatski M. N., Larichev Y. V., Tuzikov F. V., Zaikovskii V. I., Zharkov S. M.
Заглавие : Oxidation of Ag nanoparticles in aqueous media: Effect of particle size and capping
Место публикации : Appl. Surf. Sci.: Elsevier Science, 2014. - Vol. 297. - P.75-83. - ISSN 0169-4332, DOI 10.1016/j.apsusc.2014.01.081. - ISSN 1873-5584
Примечания : Cited References: 58. - This work was partially financially supported by the Ministry of Education and Science of RF (Grant 8580) and RFBR (12-03-31178).
Предметные рубрики: EX-SITU XPS
POLYCRYSTALLINE SILVER ELECTRODES
RAY PHOTOELECTRON-SPECTROSCOPY
METAL NANOPARTICLES
ELECTROCHEMICAL OXIDATION
ABSORPTION SPECTROSCOPY
PYROLYTIC-GRAPHITE
OXYGEN-ADSORPTION
TRANSFORMATIONS
DISSOLUTION
Ключевые слова (''Своб.индексиров.''): silver nanoparticles--oxidation--resistive switching effect--x-ray photoelectron spectroscopy
Аннотация: Many applications and environmental impact of silver-bearing nanomaterials critically depend upon their specific reactivity, which is still poorly understood. Here, silver nanoparticles (Ag NPs) of about 3-5 nm and 10-12 nm in diameter, uncapped and capped with l-glucose or citrate, were prepared, characterized using UV-vis absorption spectroscopy, SAXS, TEM, and their (electro) chemical oxidation was examined in comparison with each other and bulk metal applying scanning tunneling microscopy and spectroscopy, cyclic voltammetry, and XPS. A resistive switching effect was found in the tunneling spectra measured in air at the smaller uncapped Ag NPs deposited on HOPG and was interpreted in terms of Ag transfer between the particle and the probe. The anodic oxidation of these Ag NPs in 1 M NaOH yielded 3D Ag2O, while only a layer of "primary"Ag(I) oxide emerged on larger uncapped nanoparticles during the potential sweep. The formation of AgO at higher potentials proceeded readily at the "primary"oxide but was retarded at the smaller NPs. The citrate- and glucose-capping substantially impeded the formation both of Ag2O and AgO. The findings highlighted, particularly, a non-trivial effect of particle size and transient mobilization of Ag species on the reactions of silver nanoparticles. (c) 2014 Elsevier B.V. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ponomarenko I. V., Parfenov V. A., Zaitseva Y. N., Zharkov S. M., Kirik S. D.
Заглавие : Template synthesis of CMK-3 nanostructured carbon material and study of its properties
Место публикации : Glass Phys. Chem. - 2014. - Vol. 40, Is. 1. - P.79-87. - ISSN 1087-6596, DOI 10.1134/S1087659614010180
Ключевые слова (''Своб.индексиров.''): adsorption of n2--cmk-3 mesostructured carbon--mesoporous mesostructured silicates--sba-15--template synthesis--transmission electron microscopy--x-ray diffraction
Аннотация: Mesostructured carbon has been obtained by template synthesis. SBA-15 mesostructured silicate has been used as a template. The effect of the properties of a template on the ordering of a replica has been studied. It has been shown with the use of X-ray diffraction, gas adsorption, and electron microscopy that there are evident correlations of the conditions of synthesis of a template with the ordering of a carbon replica, which can be guided by the synthesis of materials. The ordering of a replica significantly depends on the mesopore volume of the initial template and thickness of the pore wall. One should use templates with the highest possible mesopore volume and minimal wall thickness to obtain highly ordered replicas. These templates can be prepared during the treatment of synthesized materials at temperatures close to 100 C. It has been determined that, when there is SBA-15, the presence of micropores is a necessary condition for the preparation of carbon replicas that retain the structure of the template. © 2014 Pleiades Publishing, Ltd.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Eliseeva N. S., Krasnov P. O., Kuklin A. V., Kovaleva E. A., Kholtobina A. S.
Заглавие : Theoretical investigation of the adsorption and diffusion of hydrogen on the surface and in the bulk of the intermetallic compound Mg2Ni
Место публикации : Phys. Solid State: Pleiades Publishing, 2014. - Vol. 56, Is. 10. - P.2035-2042. - ISSN 1063-7834, DOI 10.1134/S1063783414100187. - ISSN 1090-6460
Примечания : Cited References: 30
Предметные рубрики: STORAGE MATERIAL Mg2NiH4
INITIO MOLECULAR-DYNAMICS
AUGMENTED-WAVE METHOD
MINIMUM ENERGY PATHS
ELASTIC BAND METHOD
TEMPERATURE STRUCTURE
SADDLE-POINTS
ALLOYS
TRANSITION
MAGNESIUM
Аннотация: The intermetallic compound Mg2Ni as a potential material for hydrogen storage has been investigated theoretically. The sorption and diffusion of a hydrogen atom in the bulk and on the surface of this material, as well as the step-by-step process of dissociative chemisorption of a H-2 molecule on the surface, have been considered. The dependence of the sorption energy of atomic hydrogen on the structural characteristics of the intermetallic compound Mg2Ni has been analyzed.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Parshin A. M., Zyryanov V. Ya., Shabanov V. F.
Заглавие : The director field distribution with the strongly pinned alignment in nematic structures at the polymer surface
Коллективы : Russian Foundation for Basic Research [12-03-00816], Siberian Branch ofthe Russian Academy of Sciences (SB RAS) [30, 24.29, 24.32], SB RASthrough a Taiwan-SB RAS joint project
Место публикации : Liq. Cryst.: Taylor & Francis, 2015. - Vol. 42, Is. 1. - P.57-64. - ISSN 0267, DOI 10.1080/02678292.2014.960904. - ISSN 13665855(eISSN)
Примечания : Cited References:18. - This work was partially supported by the Russian Foundation for BasicResearch [project No. 12-03-00816] and by the Siberian Branch of theRussian Academy of Sciences (SB RAS) [grants nos. 30, 24.29, 24.32] andby SB RAS through a Taiwan-SB RAS joint project.
Предметные рубрики: LIQUID-CRYSTALS
DISCLINATION LINES
DEFECTS
Ключевые слова (''Своб.индексиров.''): orientational order--disclination--adsorption--nematic--polymer surface--director configuration
Аннотация: We investigate orientational nematic liquid crystal structures that form at the polymer surface due to adsorption, their stability against the schlieren texture and features of point and linear singularities in them. We demonstrate that surface disclination lines, which also occur due to molecular adsorption, can lead to azimuthal anchoring of a bulk layer and make the singularities with the charge m=+/- 1 stable. We consider the director field distribution in a nematic layer as a result of the combination of two aligning factors, which are the linear disclination that tend to impose uniform planar ordering and point defects that impart the radial configuration to the director. With the use of the calculation, we analyse the energies of elastic distortions of the director field for the radial-planar, radial-homeotropic and radial-radial configurations, depending on the nematic layer thickness.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Avramov P. V., Nikolaeva K. M., Mikhaleva N. S., Kovaleva E. A., Kuklin A. V., Fedorov A. S.
Заглавие : Study of interaction between transition metal atoms and bigraphene monovacancy by means of quantum chemistry
Место публикации : Comput. Mater. Sci.: Elsevier, 2016. - Vol. 112, Part A. - P.269-275. - ISSN 0927-0256, DOI 10.1016/j.commatsci.2015.11.002
Примечания : Cited References: 39. - The authors would like to thank Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; and L.V. Kirensky Institute of Physics of SB RAS, Krasnoyarsk, for providing the access to their supercomputers. This work was supported by the government contract of the Ministry of Education and Science of the Russian Federation to Siberian Federal University (Grant No. 16.1500.2014/K).
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
MASSLESS DIRAC FERMIONS
GRAPHENE
VACANCIES
POINTS
GAS
Ключевые слова (''Своб.индексиров.''): bigraphene--spintronics--transition metal--adsorption--migration
Аннотация: First-row transition metal atoms adsorption on bigraphene monovacancy was studied within the framework of DFT in periodic boundary conditions. Electronic and magnetic properties of composites were analyzed and their potential utilization in spintronics was discussed. Barriers of metal atoms migration from bigraphene surface to the interlayer space through the vacancy were estimated in order to consider both thermodynamic and kinetic aspects of composites experimental preparation. Formation of metal atoms inner-sorbed on bigraphene was found to demand harsh synthesis conditions; whereas outer-sorbed composites demonstrate significantly higher degree of spin polarization which makes them perspective for usage in spintronic devices. © 2015 Elsevier B.V.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Паршин, Александр Михайлович, Зырянов, Виктор Яковлевич, Шабанов, Василий Филиппович
Заглавие : Конфигурации директора в структурах нематика, адсорбированного на поверхности полимера
Место публикации : Жидк. кристаллы и их практич. использ. - 2015. - Т. 15, Вып. 1. - С. 56-65. - ISSN 1991-3966; \b Liquid Crystals and their Application
Примечания : Библиогр.: 20. - Работа выполнена частично при финансовой поддержке программ Президиума РАН и РФФИ (грант № 15-02-06924).
Ключевые слова (''Своб.индексиров.''): нематический жидкий кристалл--полимер--адсорбция--дисклинация--конфигурация директора--nematic liquid crystal--polymer--adsorption--disclination--director configuration
Аннотация: Исследованы ориентационные структуры нематических жидких кристаллов, возникающие на поверхности полимера в результате адсорбции, и их устойчивость относительно шлирен-текстуры. Изучены особенности точечных и линейных сингулярностей в исследуемых структурах. Рассмотрены конфигурации директора в слое нематика, определяемые комбинацией двух ориентирующих факторов: воздействием линейной дисклинации, фактора, стремящегося задать однородное планарное упорядочение, а также влиянием точечного дефекта, задающего радиальную структуру директора. С использованием расчетного метода проведен сравнительный анализ энергии упругих искажений поля директора для различных видов конфигураций: радиально-планарной, радиально-гомеотропной и радиально-радиальной в зависимости от толщины слоя нематика.The orientational structures of nematic liquid crystals that form at the polymer surface due to adsorption and their stability with respect to the schlieren texture are investigated. Features of point and linear singularities in these structures are studied. The director configurations in nematic layer as a result of the combination of two aligning factors, which are the linear disclination that tends to impose uniform planar ordering and point defect that imparts the radial structure to the director are considered. The analysis of the elastic distortions energies of the director configurations for the radial-planar, radial-homeotropic and radial-radial structures, depending on the nematic layer thickness was performed using the calculation method.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Kovaleva E. A., Avramov P. V., Kholtobina A. S., Mikhaleva N. S., Kuklin A. V.
Заглавие : Buckminsterfullerene's movability on the Fe(001) surface
Место публикации : J. Magn. Magn. Mater.: Elsevier, 2016. - Vol. 410. - P.41-46. - ISSN 03048853 (ISSN), DOI 10.1016/j.jmmm.2016.03.023
Примечания : Cited References: 32. - This work was supported by the Russian Scientific Fund (Project no. 14-13-00139) and the Foundation for Assistance to Small Innovative Enterprises (FASIE) (Project no. 0011742). The authors would like to thank Institute of Computational Modeling of SB RAS, Krasnoyarsk; Joint Supercomputer Center of RAS, Moscow; Center of Equipment for Joint Use of Siberian Federal University, Krasnoyarsk; ICC of Novosibirsk State University and Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk for providing the access to their supercomputers.
Предметные рубрики: Initio molecular-dynamics
Total-energy calculations
Augmented-wave
Ключевые слова (''Своб.индексиров.''): buckminsterfullerene--c60--fe(001)--spintronics--adsorption--relocation--dft
Аннотация: Organic-based spintronics is one of the most fast-developing fields in nanoelectronics. Buckminsterfullerene-based composites are widely investigated due to its unique properties and there is a number of studies concerned with its interfaces with various types of substrates. Ferromagnetic surfaces are of a particular interest for potential spintronics applications. Based on the data reported in literature, we suppose that there are more than one stable structure in C60/Fe(001) composite system. Here we investigate different possible adsorption sites of C60 molecule and reveal the possibility of their coexistence and its influence on the composite properties. © 2016 Elsevier B.V.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mikhlin Y. L., Vorobyev S., Saikova S. V., Tomashevich Y., Fetisova O., Kozlova S., Zharkov S. M.
Заглавие : Preparation and characterization of colloidal copper xanthate nanoparticles
Коллективы : Russian Science Foundation [14-17-00280]
Место публикации : New J. Chem.: Royal Society of Chemistry, 2016. - Vol. 40, Is. 4. - P.3059-3065. - ISSN 1144-0546, DOI 10.1039/c6nj00098c. - ISSN 1369-9261(eISSN)
Примечания : Cited References:50. - This research was supported by the Russian Science Foundation grant 14-17-00280. We thank Dr Roberto Felix Duarte (HZB) and bilateral program "German-Russian laboratory at BESSY II" for assistance with the X-ray absorption experiments.
Предметные рубрики: X-ray-absorption
Self-assembled monolayers
Sulfide nanoparticles
Electronic-structure
Waste-water
Complexes
Flotation
Spectroscopy
Adsorption
Oxidation
Аннотация: Despite the important role of metal xanthates in a number of industrial processes and emerging applications, no attempts have been made to prepare the metal xanthate nanoparticles and to study colloidal solutions of insoluble heavy metal xanthates. Here, we examined the formation of colloidal copper xanthate particles during the reactions of aqueous solutions of cupric sulfate and various potassium xanthates, which occur in flotation and water treatment slurries and can be used to manufacture nanoparticles for materials science (e.g., as precursors for copper sulfide nanoparticles and biomedicine). The products were characterized using UV-vis absorption, dynamic light scattering, zeta potential measurements, transmission electron microscopy (TEM), electron diffraction, Fourier transform infrared spectroscopy, thermogravimetry, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy (XANES). Colloidal copper xanthates with compositions of ROCSSCu (R = ethyl, isopropyl, butyl, isobutyl, and amyl groups), disordered structures and average diameters of 20–80 nm easily formed and aggregated and were stable for at least several hours, especially if excessive xanthate was used. The hydrodynamic diameters of the nanoparticles were smaller at lower temperatures. Dixanthogens, which were produced in the reactions along with ROCSSCu, seemed to promote nanoparticle aggregation and precipitated with the copper xanthate, affecting their thermal decomposition. The TEM micrographs and S K- and Cu K-edge XANES spectra revealed core/shell particle morphologies, likely with Cu(I) bonded to four S atoms in the core and reduced copper coordination in the shell.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Sorokin P. B., Kuzubov A. A.
Заглавие : Ab initio study of hydrogen chemical adsorption on platinum surface/carbon nanotube join system
Место публикации : Phys. Status Solidi B. - 2008. - Vol. 245, Is. 8. - P.1546-1551. - ISSN 0370-1972, DOI 10.1002/pssb.200844155
Примечания : Cited References: 31
Предметные рубрики: WALLED CARBON NANOTUBES
MOLECULAR-DYNAMICS
ROOM-TEMPERATURE
STORAGE
ENERGY
THERMODYNAMICS
GRAPHITE
DENSITY
POINTS
Аннотация: The process of hydrogen chemical adsorption on platinum cluster/single wall carbon nanotube (CNT) join surfaces is modelled at various temperatures and pressures. For that, the adsorption energy of hydrogen atoms on surfaces of both platinum (111) plate and CNT (5,5) or (8,8) types is calculated by density functional theory with the PBE approximation. At various temperatures the hydrogen atom hopping rate on both platinum and CNT surfaces is calculated by the transition state theory. Furthermore the hydrogen hopping rate from the platinum surface to the attached nanotube is obtained by calculation of the total energy profile. It is proved that hydrogen atoms can migrate easily at the platinum surface at all temperatures, but at the CNT surface they can migrate beginning at 400-500 K. By calculation of chemical potentials of hydrogen in gas or on CNT or platinum cluster surfaces the equilibrium density of adsorbed hydrogen was calculated at different temperatures and pressures. It is established that for all temperatures in the range 300-900 K and for all pressures less than 500 bar, the hydrogen is dissociated and chemically adsorbed on the platinum surface very effectively, but surface site occupation by hydrogen on attached CNT surface is rather small. But if CNT vacancies are present in the tube structure and the temperature is lower then 450 K, hydrogen atoms can be adsorbed effectively enough on these vacancies. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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