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1.

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.
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2.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Markel V. A., Pustovit V. N., Karpov S. V., Obuschenko A. V., Gerasimov V. S., Isaev I. L.
Заглавие : Electromagnetic density of states and absorption of radiation by aggregates of nanospheres with multipole interactions
Место публикации : Phys. Rev. B: AMER PHYSICAL SOC, 2004. - Vol. 70, Is. 5. - Ст.54202. - ISSN 1098-0121, DOI 10.1103/PhysRevB.70.054202
Примечания : Cited References: 81
Предметные рубрики: DISCRETE-DIPOLE APPROXIMATION
ENHANCED RAMAN-SCATTERING
METAL FRACTAL CLUSTERS
OPTICAL-PROPERTIES
SELECTIVE PHOTOMODIFICATION
DISORDERED CLUSTERS
NUMERICAL-SIMULATION
SPECTRAL DEPENDENCE
PARTICULATE MATTER
LIGHT-SCATTERING
Ключевые слова (''Своб.индексиров.''): carbon--iron--palladium--silver--article--dipole--electromagnetic field--geometry--mathematical analysis--molecular interaction--nanoparticle--radiation absorption
Аннотация: We calculate the quasistatic electromagnetic density of states for aggregates of touching spheres, in particular, linear chains and computer-generated random fractal aggregates. Multipole moments with orders of up to L=64 are taken into account for random aggregates with the number of particles of up to N=100 and up to L=8000 for linear chains. Extensive comparisons with the dipole approximation and geometrical cluster renormalization method are performed. Extinction spectra are calculated for several metals and black carbon. Long wavelength electromagnetic properties of fractal aggregates are considered in details.
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3.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Antonova A.B., Chudin O.S., Pavlenko N.I., Sokolenko W.A., Rubaylo A.I., Vasiliev A. D., Verpekin V.V., Semeikin O.V.
Заглавие : Chemistry of vinylidene complexes
Место публикации : Russ. Chem. Bull. - NEW YORK: SPRINGER, 2009. - Vol. 58, Is. 5. - С. 955-963. - MAY. - ISSN 1066-5285, DOI 10.1007/s11172-009-0122-3
Примечания : Cited Reference Count: 35. - Гранты: This work was financially supported by the Krasnoyarsk Regional Science Foundation (Grants Nos. 10TS145 and 17G002), the Council on Grants at the President of the Russian Federation (Program for State Support of Leading Scientific Schools, Grant NSh-4137.2006.2), and the Presidium of the Russian Academy of Sciences (Program for Basic Research, Project No. 18.18).Финансирующая организация: Krasnoyarsk Regional Science Foundation [10TS145, 17G002]; Council on Grants at the President of the Russian Federation [NSh-4137.2006.2]; Presidium of the Russian Academy of Sciences [18.18]
Предметные рубрики: RAY CRYSTAL-STRUCTURE
MOLECULAR-STRUCTURE
PHENYLVINYLIDENE LIGANDS
BRIDGED COMPLEXES
TRANSITION-METALS
CARBONYL LIGAND
BINUCLEAR
DERIVATIVES
DINUCLEAR
RHENIUM
Ключевые слова (''Своб.индексиров.''): vinylidene complexes--heterometallic complexes--manganese--rhenium--palladium--platinum--ir and nmr spectroscopy--x-ray diffraction study--heterometallic complexes--ir and nmr spectroscopy--manganese--palladium--platinum--rhenium--vinylidene complexes--x-ray diffraction study
Аннотация: The reactions of Cp(CO)(2)Re=C=CHPh (2) with M(PPh(3))(4) (M = Pd, Pt) gave the mu-vinylidene complexes Cp(CO)(2)RePd(mu-C=CHPh)(PPh(3))(2) (3) and Cp(CO)(2)RePt(mu-C=CHPh)(PPh(3))(2) (1), respectively. The substitution of Ph(2)PCH(2)PPh(2) (dppm) for the PPh(3) ligands in 1 resulted in the formation of Cp(CO)RePt(mu-C(1)=C(2)HPh)(mu-CO)(dppm) (4). The structure of complex 4 has been determined by single-crystal X-ray diffraction analysis. The structural and spectroscopic characteristics of complexes 1, 3, and 4 were compared with the corresponding parameters of the manganese-containing analogs Cp(CO)(2)MnPd(mu-C=CHPh)(PPh(3))(2) (5), Cp(CO)(2)MnPt(mu-C=CHPh)(PPh(3))(2) (6) and Cp(CO)(2)MnPt(mu-C=CHPh)(dppm) (7).
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Belousov O. V., Belousova N. V., Sirotina A. V., Solovyov L. A., Zhyzhaev A. M., Zharkov S. M., Mikhlin Y. L.
Заглавие : Formation of bimetallic Au-Pd and Au-Pt nanoparticles under hydrothermal conditions and microwave irradiation
Место публикации : Langmuir: American Chemical Society, 2011. - Vol. 27, Is. 18. - P.11697-11703. - ISSN 0743-7463, DOI 10.1021/la202686x
Примечания : Cited References: 28
Предметные рубрики: PROFILE REFINEMENT
PALLADIUM BLACK
SIZE
CATALYSIS
METAL
Аннотация: The reduction of chlorocomplexes of gold(III) from muriatic solutions by nanocrystal powders of palladium and platinum at 110 and 130 degrees C under hydrothermal conditions and the action of microwave irradiation has been investigated. The structure and composition of the solid phase have been characterized by transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and chemical methods. Bimetallic particles with a core-shell structure have been revealed. The obtained particles are established to have a core of the metal reductant covered with a substitutional solid (Au, Pd) solution in case of palladium, and isolated by a gold layer in the case of platinum. The main reason for such a difference is the ratio between the rates of aggregation and reduction. It has been shown by the example of the Au-Pd system that the use of microwave irradiation allows us not only to accelerate the synthesis of particles but also to obtain more homogeneous materials in comparison with conventional heating.
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Chzhan A. V., Patrin G. S., Kiparisov S. Y., Seredkin V. A., Burkova L. V., Velikanov D. A.
Заглавие : Magnetic and magneto-optical properties of Co-P films prepared by chemical deposition
Место публикации : J. Magn. Magn. Mater. - 2011. - Vol. 323, Is. 20. - P.2493-2496. - OCT. - ISSN 0304-8853, DOI 10.1016/j.jmmm.2011.05.024
Примечания : Cited Reference Count: 22. - Гранты: This study was supported by the Russian Foundation for Basic Research, Project no. 08-02-00397a and the departmental target program Development of Scientific Potential of Higher Education, 2009-2010, Project no. 2.1.1./4399.Финансирующая организация: Russian Foundation for Basic Research [08-02-00397a]; departmental target program Development of Scientific Potential of Higher Education [2.1.1./4399]
Предметные рубрики: SPECTROSCOPY
THICKNESS
COBALT
Ключевые слова (''Своб.индексиров.''): co-p films--chemically deposition--the polar kerr and faraday effects--hysteresis loops--chemically deposition--cop films--hysteresis loops--the polar kerr and faraday effects--chemical deposition--chemically deposition--co films--cop films--film magnetization--film surface morphology--incident light--magnetic and magneto-optical properties--magnetic layers--polar kerr effect--polar-kerr--polycrystalline--underlayers--chemical analysis--faraday effect--hysteresis loops--kerr magnetooptical effect--light reflection--magnetic materials--optical kerr effect--palladium--cobalt
Аннотация: Features in the formation of chemically deposited polycrystalline Co-P films with thicknesses of a few nanometers are established by analyzing film surface morphology and variation in the film magnetization. It is shown that in the thickness range below 30 nm the polar Kerr effect value OK changes nonmonotonically and depends on a wavelength of the incident light. For the films thicker than 30 nm, this value depends weakly on both the thickness and the wavelength. These features in the OK behavior are attributed to the Faraday effect, which is revealed at small thicknesses upon light reflection from the lower surface of a magnetic layer. It is found that the Faraday effect in the Co-P films exceeds that in the Co films by a factor of more than two. This effect is assumed to be caused by the presence of a Pd underlayer in the samples under study. (C) 2011 Elsevier BY. All rights reserved.
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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Chzhan A.V., Patrin G. S., Kiparisov S. Ya., Seredkin V. A., Maltsev V. K., Krayukhin I. N.
Заглавие : The induced anisotropy and its influence on absorption of the NMR and domain structure of Co-P amorphous films
Коллективы : Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium
Место публикации : Solid State Phenomena. - 2011. - Vol. 168-169. - P.145-148. - ISSN 10120394 ; 9783037850213, DOI 10.4028/www.scientific.net/SSP.168-169.145
Ключевые слова (''Своб.индексиров.''): amorphous magnetic films--coercive force--domain structure--induced anisotropy--nuclear magnetic resonance--amorphous films--cobalt--coercive force--crystals--magnetic anisotropy--magnetic devices--magnetic domains--magnetic films--metallic films--palladium--resonance--amorphous films--anisotropy--cobalt--coercive force--magnetic anisotropy--magnetism--palladium--amorphous magnetic films--domain structure--experimental research--induced anisotropy--intermediate layers--magnetization process--co-p films--nuclear magnetic resonance(nmr)--nuclear magnetic resonance--nuclear magnetic resonance
Аннотация: The results of experimental research into magnetic properties of amorphous Co-P films obtained by chemical sedimentation on various intermediate layers have been represented. The nuclear magnetic resonance (NMR) spectra of films sedimentated on intermediate layers of Pd crystal and amorphous NiP compound have been measured .The features of formation of domain structures and magnetization processes in the presence and absence of the induced anisotropy have been described.
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Belousov O. V., Borisov R. V., Zharkov S. M., Parfenov V. A., Dorokhova L. I.
Заглавие : Redox potentials of gold-palladium powders in aqueous solutions of H2PdCl4
Место публикации : Russ. J. Phys. Chem. A: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 86, Is. 3. - P.484-488. - ISSN 0036-0244, DOI 10.1134/S0036024412020070
Примечания : Cited References: 26
Предметные рубрики: BIMETALLIC NANOPARTICLES
METALLIC PALLADIUM
COPPER
ELECTRODE
BLACK
Bimetallic particles
Bimetallic powders
Gold-palladium
Hydrochloric acid solution
Nernst equation
Redox potentials
Gold
Hydrochloric acid
Redox reactions
Secondary batteries
Transmission electron microscopy
X ray diffraction analysis
Ключевые слова (''Своб.индексиров.''): bimetallic powders--gold-palladium--redox potential
Аннотация: The redox potential of fine-dispersed and compact bimetallic powders of the palladium-gold system in hydrochloric acid solutions of H2PdCl4 at a temperature of 60A degrees C was studied. It was found that the redox potential increases with gold enrichment of the solid solution in accordance with the Nernst equation. The effect of gold-palladium particle size on this redox potential is shown. The morphology, sizes, and composition of bimetallic particles are determined via transmission electron microscopy and X-ray diffraction analysis.
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8.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Verpekin V. V., Kondrasenko A. A., Chudin O. S., Vasiliev A. D., Burmakina G. V., Pavlenko N. I., Rubaylo A. I.
Заглавие : Chemistry of vinylidene complexes. XXIII. Binuclear rhenium-palladium vinylidene bridged complexes, their reactions with diiron nonacarbonyl
Место публикации : J. Organomet. Chem.: Elsevier Science, 2014. - Vol. 770. - P.42-50. - ISSN 0022-328X, DOI 10.1016/j.jorganchem.2014.07.024. - ISSN 1872-8561
Примечания : Cited References: 56. - This article is dedicated to the memory of Alla B. Antonova.
Предметные рубрики: TRANSITION-METAL-COMPLEXES
CATIONIC CARBYNE COMPLEXES
RAY CRYSTAL-STRUCTURE
MOLECULAR-STRUCTURE
HETEROBIMETALLIC COMPLEXES
LIGANDS
MANGANESE
CLUSTERS
DINUCLEAR
PD2CL2(MU-PH2PCH2PPH2)2
Ключевые слова (''Своб.индексиров.''): rhenium--palladium--iron--vinylidene complexes--heterometallic complexes
Аннотация: The reaction of [Cp(CO)2ReCCHPh] (1) with [Pd(PPh3)4] followed by the treatment of resulting [Cp(CO)2RePd(μ-CCHPh)(PPh3)2] (2) with diphosphines (dppe, dppp) gave new complexes [Cp(CO)2RePd(μ-CCHPh)(dppe)] (3) and [Cp(CO)2RePd(μ-CCHPh)(dppp)] (4). Treatment of the synthesized complexes with [Fe2(CO)9] led to mixtures of [Cp(CO)2ReFe(μ-CCHPh)(CO)4] (5), [(dppe)PdFe2(CO)8] (6), [CpReFe2(μ3-CCHPh)(CO)8] (7), [CpReFePd(μ3-CCHPh)(CO)5(dppe)] (8) and of 5, [(dppp)PdFe2(CO)8] (9), [CpReFePd(μ3-CCHPh)(CO)5(dppp)] (10), respectively. The main products of both reactions were trinuclear μ3-vinylidene clusters 8 and 10. Reactions of the trinuclear μ3-vinylidene ReFePd clusters 8 and 10 with Fe2(CO)9 were also studied. New complexes were characterized by IR, 1H, 13C, 31P NMR spectroscopy and cyclic voltammetry. The structure of [CpReFe2(μ3-CCHPh)(CO)8] was determined by single-crystal X-ray diffraction.
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9.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Verpekin V. V., Chudin O. S., Vasiliev A. D., Kondrasenko A. A., Pavlenko N. I., Rubaylo A. I., Kreindlin A. Z.
Заглавие : Molecular structure of a new tetranuclear μ2:μ3-bis-vinylidene cluster, Cp2(CO)4RePd(μ-CCHPh)RePd(μ3-CCHPh)(η2-dppe)
Коллективы : Presidium of the Russian Academy of Sciences [8.15]
Место публикации : Polyhedron: PERGAMON-ELSEVIER SCIENCE LTD, 2015. - Vol. 90. - P.104-107. - ISSN 0277-5387, DOI 10.1016/j.poly.2015.01.028
Примечания : Cited References:33. - This work was financially supported by the Presidium of the Russian Academy of Sciences (Program for Basic Research, Project No. 8.15). Authors are grateful to Prof. N.A. Ustynyuk for useful discussions.
Предметные рубрики: VINYLIDENE-BRIDGED COMPLEXES
TRANSITION-METAL-COMPLEXES
Ключевые слова (''Своб.индексиров.''): rhenium--palladium--vinylidene complexes--heterometallic complexes--x-ray diffraction
Аннотация: The novel tetranuclear di-vinylidene complex Cp2(CO)4RePd(μ2-CCHPh)RePd(μ3-CCHPh)(dppe) was isolated and characterized by X-ray diffraction. This cluster consists of two RePd fragments linked to each other through the bonding of the palladium atom in the [Cp(CO)2RePd(μ-CCHPh)] fragment to the carbonyl and vinylidene ligands in the Cp(CO)2RePd(μ-CCHPh)(dppe) fragment.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Isakova V. G., Isakov V. P., Lyamkin A. I., Zharikova N. V., Yunoshev A. S., Nemtsev I. V.
Заглавие : Surface modification of detonation nanodiamonds with platinum and palladium nanoparticles
Место публикации : Int. J. Chem. - 2015. - Vol. 7, No. 1. - P.1-9. - ISSN 1916-9698, DOI 10.5539/ijc.v7n1p1
Примечания : Cited References: 38
Ключевые слова (''Своб.индексиров.''): detonation-synthesized nanodiamond supports--platinum and palladium nanoparticles--combustion--chemical modific--dnd additional purification
Аннотация: Acetylacetonates of platinum group metals (M(acac)n, acac= CH3COCHCOCH3,n - oxidation state of metal) are the most suitable precursors for use in highly effective MOCVD (metal-organic chemical vapor deposition) processes because of their thermal properties, low price of initial ligand and accessible synthesis methods. In this study we have developed a simple, scalable inexpensive, MOCVD-like approach to the deposition of Pt and Pd nanoparticle dispersions on powder detonation nanodiamonds (DND) using combustion in air of powder mixtures of DND with Pt and Pd acetylacetonates. This one-step process requires no specialized apparatus, and is conducted at mild temperatures (180°C – 250°C). The substrate surface of DND initiates chemical thermal destruction of precursor and deposition of nanoparticle networks composed of constituent particles. DND-supported Pd and Pt nanoparticles with their loading being from 10 and 5wt. % were obtained the average of particle size 20-25 nm and 7-10nm decreases with decreasing the metal loading. For additional purification and disaggregation of the commercial detonation-synthesized nanodiamond (DNDcomm) the method of annealing of the powder mixtures DNDcomm with Na(acac) have been used. The purified diamond nanoparticulates (DND), as well as DNDcomm, Pt/DND and Pd/DND, were subjected to physicochemical characterizations, such as X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive X-ray (EDX) analysis.
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