Библиотека института физики им. Л.В. Киренского СО РАН

Главная

Базы данных

Труды сотрудников ИФ СО РАН - результаты поиска

Вид поиска

Каталог книг и брошюр библиотеки ИФ СО РАН

Каталог журналов библиотеки ИФ СО РАН

Труды сотрудников ИФ СО РАН

Область поиска

в найденном

Найдено в других БД:

Каталог книг и брошюр библиотеки ИФ СО РАН (2)

Каталог журналов библиотеки ИФ СО РАН (1)

Формат представления найденных документов:
полный	информационный	краткий

Отсортировать найденные документы по:
автору	заглавию	году издания	типу документа

Поисковый запрос: (<.>K=environment<.>)

Общее количество найденных документов : 38
Показаны документы с 1 по 10

1-10 11-20 21-30 31-38

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Thomas S., V R., Maria H. J., Kiselev E. G., Nemtsev I. V.
Заглавие : Biodegradable microcarriers for herbicide delivery
Коллективы : "Biotechnology of new materials - environment - quality of life", International scientific conference, "Биотехнология новых материалов - окружающая среда - качество жизни", международная научная конференция, Сибирский федеральный университет
Место публикации : Биотехнология новых материалов - окружающая среда - качество жизни: материалы IV Международной научной конференция : Красноярск, 10–13 октября 2021 г. - Красноярск, 2021. - С. 156-159
Читать в сети ИФ
Найти похожие

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Nasluzov V. A., Rivanenkov V. V., Gordienko A. B., Neyman K. M., Birkenheuer U., Rosch N.
Заглавие : Cluster embedding in an elastic polarizable environment: Density functional study of Pd atoms adsorbed at oxygen vacancies of MgO(001)
Место публикации : J. Chem. Phys.: AMER INST PHYSICS, 2001. - Vol. 115, Is. 17. - P8157-8171. - ISSN 0021-9606, DOI 10.1063/1.1407001
Примечания : Cited References: 88
Предметные рубрики: TRANSITION-METAL ATOMS
AB-INITIO
OXIDE SURFACES
ELECTRONIC-PROPERTIES
ENERGY CALCULATIONS
MOLECULAR-DYNAMICS
MOTT-LITTLETON
MADELUNG FIELD
IONIC-CRYSTAL
MGO
Ключевые слова (''Своб.индексиров.''): atoms--binding energy--computer simulation--electron energy levels--electronic structure--magnesia--oxygen--palladium--polarization--probability density function--quantum theory--relaxation processes--charged defects--cluster embedding--elastic polarizable environment--electron affinity--oxygen vacancies--adsorption
Аннотация: Adsorption complexes of palladium atoms on F-s, F-s(+), F-s(2+), and O2- centers of MgO(001) surface have been investigated with a gradient-corrected (Becke-Perdew) density functional method applied to embedded cluster models. This study presents the first application of a self-consistent hybrid quantum mechanical/molecular mechanical embedding approach where the defect-induced distortions are treated variationally and the environment is allowed to react on perturbations of a reference configuration describing the regular surface. The cluster models are embedded in an elastic polarizable environment which is described at the atomistic level using a shell model treatment of ionic polarizabilities. The frontier region that separates the quantum mechanical cluster and the classical environment is represented by pseudopotential centers without basis functions. Accounting in this way for the relaxation of the electronic structure of the adsorption complex results in energy corrections of 1.9 and 5.3 eV for electron affinities of the charged defects F-s(+) and F-s(2+), respectively, as compared to models with a bulk-terminated geometry. The relaxation increases the stability of the adsorption complex Pd/F-s by 0.4 eV and decreases the stability of the complex Pd/F-s(2+) by 1.0 eV, but it only weakly affects the binding energy of Pd/F-s(+). The calculations provide no indication that the metal species is oxidized, not even for the most electron deficient complex Pd/F-s(2+). The binding energy of the complex Pd/O2- is calculated at -1.4 eV, that of the complex Pd/F-s(2+) at -1.3 eV. The complexes Pd/F-s and Pd/F-s(+) exhibit notably higher binding energies, -2.5 and -4.0 eV, respectively; in these complexes, a covalent polar adsorption bond is formed, accompanied by donation of electronic density to the Pd 5s orbital. (C) 2001 American Institute of Physics.
WOS,
Scopus,
Читать в сети ИФ
Найти похожие

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Draganyuk O. N., Zhandun V. S., Zamkova N. G.
Заглавие : Effect of the Local Environment on the Magnetic Properties of Mn3Si: Hybrid Ab Initio and Model Study
Место публикации : Phys. Status Solidi B. - 2019. - Vol. 256, Is. 12. - Ст.1900228. - ISSN 03701972 (ISSN), DOI 10.1002/pssb.201900228
Примечания : Cited References: 34. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research Project No. 18‐42‐243019: “First‐principles studies of the polarization, magnetic, electronic, and magnetoelectric properties of functional compounds with a spinel structure containing 3d and 4f ions.”
Аннотация: The effect of the local environment on the formation of magnetic moments on Mn atoms in manganese silicide Mn3Si is studied by the combination of ab initio calculations and the model analysis. The suggested approach is related to the self-consistent mapping of the results of ab initio calculations to a multiorbital model. The model analysis allows to reveal the role played by the local environment of the transition metal atoms on the magnetic moments formation. It is found that the formation of the magnetic moment is controlled rather by hopping parameters between Mn atoms, not by the number of Mn–Si nearest neighbors. Particularly, the formation of magnetic moment on MnI atom is mainly controlled by the hopping parameter between nearest Mn atoms, while the magnetic moment on MnII atom is primarily determined by the hoppings between next-nearest Mn atoms. The obtained phase diagrams of the magnetic state show the presence of a sharp boundary with respect to the hopping between Mn atoms. This opens the opportunity to turn on or turn off the magnetic state by the external impacts. The ab initio calculations of Mn3Si well agree with the results of model consideration and confirm the model conclusions.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gao H., Molokeev M. S., Chen Q., Yang X., Wang X., Ma B.
Заглавие : Effect of ligand environment of rare-earth ions on temperature measurement performance of SrAO4:xEu3+ (A = Mo and W) phosphors
Место публикации : Ceram. Int. - 2022. - Vol. 48, Is. 24. - P.36835-36844. - ISSN 02728842 (ISSN), DOI 10.1016/j.ceramint.2022.08.247
Примечания : Cited References: 58. - This work was supported by the National Natural Science Foundation of China (Grant No. 51802172) and the Natural Science Foundation of Qinghai Province (Grant No. 2021-ZJ-713)
Аннотация: Molybdate and tungstate with scheelite-type structure are excellent self-luminescent materials, which can be used as ideal hosts for the doping of rare-earth ions. In this study, a series of Eu3+-activated SrAO4 (A = Mo and W) phosphors were successfully synthesized, and their crystal structures, photoluminescence properties, and temperature measurement performance were analyzed in detail. These phosphors were excited by UV light (291 nm and 247 nm, respectively), with clear energy transfer (ET) (MoO42−→Eu3+ or WO42−→Eu3+). According to fluorescence intensity ratio (FIR) and Judd–Ofelt (J–O) theory, compared to SrWO4:0.01Eu3+ phosphor, SrMoO4:0.01Eu3+ phosphor exhibited better thermal stability, with relatively low Sa value (maximum values were 5.082 %K−1 and 20.74 %K−1, respectively), and their Sr values were not significantly different (maximum values were 0.864 %K−1 and 0.83 %K−1, respectively). Sa value was negatively correlated to central asymmetry of Eu3+, but the optimal Sr value tended to be more suitable for central asymmetry of Eu3+. In addition, Eu3+ exhibited stronger central asymmetry as well as covalency of Eu–O bond in SrMoO4. Results reveal that SrMoO4:xEu3+ and SrWO4:xEu3+ can be used for luminescent thermometers.
Смотреть статью,
Scopus,
WOS
Найти похожие

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ershov A. E., Gavrilyuk A. P., Karpov S. V., Semina P. N.
Заглавие : Effect of local environment in resonant domains of polydisperse plasmonic nanoparticle aggregates on optodynamic processes in pulsed laser fields
Коллективы : Russian Academy of Sciences [24.29, 24.31, III.9.5, 43, SB RAS-SFU (101), 3-9-5]
Место публикации : Chin. Phys. B: IOP Publishing, 2015. - Vol. 24, Is. 4. - Ст.047804. - ISSN 1674, DOI 10.1088/1674-1056/24/4/047804. - ISSN 17414199(eISSN)
Примечания : Cited References:25. - Project supported by the Russian Academy of Sciences (Grant Nos. 24.29, 24.31, III.9.5, 43, SB RAS-SFU (101), and 3-9-5).
Предметные рубрики: METAL NANOPARTICLES
GOLD NANOPARTICLES
OPTICAL-PROPERTIES
Ключевые слова (''Своб.индексиров.''): nanoparticle--surface plasmon--colloid aggregate--optodynamics
Аннотация: Interactions of pulsed laser radiation with resonance domains of multiparticle colloidal aggregates having an increasingly complex local environment are studied via an optodynamic model. The model is applied to the simplest configurations, such as single particles, dimers, and trimers consisting of mono- and polydisperse Ag nanoparticles. We analyze how the local environment and the associated local field enhancement by surrounding particles affect the optodynamic processes in domains, including their photomodification and optical properties.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zamkova N. G., Zhandun V. S., Ovchinnikov S. G., Sandalov I. S.
Заглавие : Effect of local environment on moment formation in iron silicides
Место публикации : J. Alloys Compd.: Elsevier, 2017. - Vol. 695. - P.1213-1222. - ISSN 09258388 (ISSN), DOI 10.1016/j.jallcom.2016.10.248
Примечания : Cited References: 40. - This work was supported by the Grants of Russian Foundation for Basic Research № 14-02-00186, № 17-02-00161 and by the Grants of Russian Foundation for Basic Research and Government of Krasnoyarsk Territory № 16-42-243035, 16-42-242036. The authors would like to thank AS Shinkorenko for the technical support.
Ключевые слова (''Своб.индексиров.''): ab initio calculations--iron silicides--magnetic properties--multiorbital model--spin-crossover
Аннотация: he effect of local environment on the formation of magnetic moments on Fe atoms in iron silicides is studied by combination of ab initio and model calculations. The suggested model includes all Fe d- and Si p-orbitals, intra-atomic Coulomb interactions, inter-atomic Fe-Fe exchange and hopping of electrons to nearest and next nearest neighboring atoms. The parameters of the model are found from the requirement that self-consistent moments on atoms and density of states found from ab initio and model calculations within the Hartree-Fock approximation are close to each other as much as possible. Contrary to the commonly accepted statement that in the ordered Fe3Si and FexSi1−x alloys an increase of the Si concentration within nearest environment of Fe atoms results in a decrease of Fe magnetic moment we find that a crucial role in the formation of magnetic moments is played by the second coordination sphere of Fe atoms. Particularly, the Fe atoms have higher magnetic moments in amorphous films compared to the epitaxial ones due to decreasing the number of iron-atoms in the next nearest environment. Both our model and ab initio calculations confirm existence of known spin crossover with pressure and predict second crossover at higher pressure.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Yakushkin S. S., Balaev D. A., Dubrovskiy A. A., Semenov S. V., Shaikhutdinov K. A., Kazakova M. A., Bukhtiyarova G. A., Martyanov O. N., Bayukov O. A.
Заглавие : Evolution of the Fe3+ ion local environment during the phase transition ε-Fe2O3 → α-Fe2O3
Место публикации : J. Supercond. Nov. Magn. - 2018. - Vol. 31, Is. 4. - P.1209–1217. - ISSN 15571939 (ISSN), DOI 10.1007/s10948-017-4307-y
Примечания : Cited References: 37. - The work was supported by the Russian Science Foundation (Grant No. 17-12-01111).
Ключевые слова (''Своб.индексиров.''): ε−fe2o3 iron oxide nanoparticles--phase transition--structure size effect--magnetic properties--mossbauer spectroscopy
Аннотация: Evolution of the local environment of Fe3+ ions in deposited Fe2O3/SiO2 nanoparticles formed in samples with different iron contents was investigated in order to establish the conditions for obtaining the stable ε-Fe2O3/SiO2 samples without impurities of other iron oxide polymorphs. Microstructure of the samples with an iron content of up to 16% is studied by high-resolution transmission electron microscopy, X-ray diffraction analysis, and Mössbauer spectroscopy, and their magnetic properties are examined. At iron concentrations below 6%, calcinations of iron-containing precursor nanoparticles in a silica gel matrix lead to the formation of the ε-Fe2O3 iron oxide polymorphic modification without foreign phase impurities, while at the iron concentration in the range of 6–12%, the hematite phase forms in the sample in the fraction of no more than 5%. It is concluded on the basis of the data obtained that the spatial stabilization of iron-containing particles is one of the main factors facilitating the formation of the ε-Fe2O3 phase in a silica gel matrix without other iron oxide polymorphs. It is demonstrated that the increase in the iron content leads to the formation of larger particles in the sample and gradual changes of the Fe3+ ion local environment during the phase transition ε-Fe2O3 → α-Fe2O3.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zeyliger A. M., Muzalevskiy K. V., Zinchenko E. V., Ermolaeva O. S.
Заглавие : Field test of the surface soil moisture mapping using Sentinel-1 radar data
Место публикации : Sci. Total Environ. - 2022. - Vol. 807, Part 2. - Ст.151121. - ISSN 00489697 (ISSN), DOI 10.1016/j.scitotenv.2021.151121
Примечания : Cited References: 43. - The research was performed within the framework of the Russian Foundation for Basic Research project 19-29-05261 mk “Cartographic modelling of soil moisture reserves based on complex geophysical water content measurements for digital irrigated agriculture”
Аннотация: Soil surface moisture is one of the key parameters for describing the hydrological state and assessing the potential availability of water for irrigated plants. Because the radar backscattering coefficient is sensitive to soil moisture, the application of Sentinel-1 data may support soil surface moisture mapping at high spatial resolution by detecting spatial and temporal changes at the field scale for precision irrigation management. This mapping is required to control soil water erosion and preferential water flow to improve irrigation water efficiency and minimise negative impacts on surface and ground water bodies. Direct observations of soil surface moisture (5-cm thickness) were performed at an experimental plot in the study site of the All-Russian Scientific Research Institute of Irrigated Agriculture, near the village Vodnyy, Volgograd region. Soil surface moisture retrieval from Sentinel-1 was performed at the same location. A second set of soil surface moisture was calculated for the soil sampling sites using the permittivity model, based on the estimates of soil surface characteristics: a) reflectivity, obtained by the neural network method from Sentinel-1 observations; b) roughness, obtained from the geodata of the stereoscopic survey with unmanned aerial vehicle Phantom 4 Pro. The raster set of soil surface moisture geodata was obtained based on the reflectivity geodata raster set to solve the inverse problem using a permittivity model that considers the soil texture of the experimental plot. The determination coefficient (0.948) and standard deviation (2.04%) were obtained by comparing both sets of soil moisture point geodata taken from the same soil sampling sites. The values confirmed a satisfactory linear correlation between the directly measured and indirectly modelled sets. A comparison of the two sets of geodata indicated a satisfactory reproduction of the first set by the second set. As a result, the developed method can be considered as the scientific and methodological basis of the new technology of soil surface moisture monitoring by radar, which is one of the basic characteristics used in precision irrigation management.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Wigneron J. -P., Chanzy A., Kerr Y. H., Shi J. -C., Mironov V. L., de Rosnay, Escorihuela M. -J., Cano A., Demontoux F., Grant J., Lawrence H., Mialon A., Saleh H.
Заглавие : Improved parameterisation of the soil emission in L-MEB
Коллективы : Microwave Radiometry and Remote Sensing of the Environment, specialist Meeting on
Место публикации : MicroRad: March 11-14, 2008, Firenze, Italy : proceedings. - 2008. - С. 123-128
Найти похожие

10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Samoilo A. S., Atuchin V. V.
Заглавие : Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+
Место публикации : J. Coord. Chem.: Taylor & Francis, 2016. - Vol. 69, Is. 6. - P.957-965. - ISSN 00958972 (ISSN), DOI 10.1080/00958972.2016.1149168
Примечания : Cited References: 42. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University in 2015-2016. V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for the financial support of the investigation.
Предметные рубрики: CRYSTAL-STRUCTURE
2-THIOBARBITURIC ACID
STRUCTURAL-CHARACTERIZATION
THIOBARBITURIC ACID
THERMAL-PROPERTIES
HYDROGEN-BOND
COMPLEXES
DIFFRACTION
NETWORKS
POLYMERS
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--alkaline earth metals--coordination compound--x-ray diffraction--thermal analysis
Аннотация: Two new isostructural complexes, [Ca(H2O)2(μ2-Detba-O,O′)2]n (1) and [Sr(H2O)2(μ2-Detba-O,O′)2]n (2) (HDetba = 1,3-diethyl-2-thiobarbituric acid), were synthesized and characterized by single-crystal and powder X-ray diffraction analysis, TG-DSC, FT-IR, and emission spectroscopy. The single-crystal X-ray diffraction data revealed that 1 and 2 are polymeric where M2+ (M = Ca, Sr) is a six-coordinate octahedral binding four Detba− ions and two water molecules. The octahedra are linked through bridging Detba− ions forming a 2-D layer. Two intermolecular hydrogen bonds O–H…S in the crystal form a 3-D net. The comparison of M(Detba)2 and M(Htba)2 (H2tba = 2-thiobarbituric acid) structures showed that the coordination number of metals in M(Detba)2 does not exceed six and there are no π–π interactions, unlike compounds with Htba−; Detba− ions are only bridges in HDetba coordination compounds. Thermal decomposition of 1 and 2 includes dehydration, which mainly ends at 200 °C, and organic ligand oxidation at 300–350 °C with a release of CO2, SO2, H2O, NH3, and isocyanate. Upon excitation at 220 nm, 1 and 2 exhibit an intense emission maximum at 557 nm.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие