Search results for "exaf"

showing 10 items of 822 documents

CCDC 249547: Experimental Crystal Structure Determination

2005

Related Article: M.Viciano, E.Mas-Marza, M.Poyatos, M.Sanau, R.H.Crabtree, E.Peris|2005|Angew.Chem.,Int.Ed.|44|444|doi:10.1002/anie.200461918

Chloro-(eta^4^-cyclo-15-octadiene)-hydrido-(bis(N-methyl-13-dihydridoimidazol-3-yl-2-ylidene)(ferrocenyl)methane)-iridium hexafluorophosphate monohydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Evidence of nickel ions dimerization in NiWO$_4$ and NiWO$_4$-ZnWO$_4$ solid solutions probed by EXAFS spectroscopy and reverse Monte Carlo simulatio…

2021

G.B. acknowledges the financial support provided by the State Education Development Agency for project No.1.1.1.2/VIAA/3/19/444 (agreement No. 1.1.1.2/16/I/001) realized at the Institute of Solid State Physics, University of Latvia. A.K. and A.K. would like to thank the support of the Latvian Council of Science project No. lzp-2019/1-0071. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2.

Condensed Matter - Materials ScienceEXAFSNiWO4solid solutions:NATURAL SCIENCES:Physics [Research Subject Categories]Materials Science (cond-mat.mtrl-sci)FOS: Physical sciencesZnWO4antiferromagnetsreverse Monte Carlo
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In Situ Study of Zinc Peroxide Decomposition to Zinc Oxide by X‐Ray Absorption Spectroscopy and Reverse Monte Carlo Simulations

2022

The authors wish to thank Dr. R. Kalendarev for the synthesis of ZnO2 sample. A.K. would like to thank the financial support of the ERDF Project No. 1.1.1.1/20/A/060. The experiment at the MAX IV synchrotron was performed within the project 20190823. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union's Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2.

Condensed Matter - Materials Sciencereverse Monte Carlo methodX-ray absorption spectroscopyMaterials Science (cond-mat.mtrl-sci)FOS: Physical sciences:NATURAL SCIENCES::Physics [Research Subject Categories]Condensed Matter PhysicsElectronic Optical and Magnetic MaterialsEXAFSCondensed Matter::Materials Sciencephase transitionZnOPhysics::Atomic and Molecular ClustersZnO2physica status solidi (b)
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Local disorder studied inSrTiO3at low temperature by EXAFS spectroscopy

1994

The temperature dependence of the local distortions in ${\mathrm{SrTiO}}_{3}$ has been studied by EXAFS spectroscopy at the titanium K edge (4982 eV). The oxygen-ion Debye-Waller factor ${\mathrm{\ensuremath{\sigma}}}_{0}^{2}$ has been determined from 4.5 to 240 K. The antiferrodistortive transition at 105 K is evidenced by a step in this Debye-Waller factor. At about 31 K, a maximum of ${\mathrm{\ensuremath{\sigma}}}_{0}^{2}$ is detected and the EXAFS oscillations due to the first oxygen shell increase. This is the signature of a maximum disorder in the lattice vibrations in this temperature range. A quasiharmonic model with a sinusoidal modulation of the Ti-O distance cannot account for t…

Condensed Matter::Materials ScienceMaterials scienceExafs spectroscopyNuclear magnetic resonanceCondensed matter physicsK-edgeExtended X-ray absorption fine structureLattice (group)Shell (structure)Lattice vibrationAtmospheric temperature rangeSinusoidal modulationPhysical Review B
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Efficient, Cyanine Dye Based Bilayer Solar Cells

2012

Simple bilayer solar cells, using commercially available cationic cyanine dyes as donors and evaporated C60 layer as an acceptor are prepared. Cyanine dyes with absorption maxima of 578, 615 and 697 nm having either perchlorate or hexafluorophosphate counter-ions are evaluated. The perchlorate dye leads to cells with S-shape current-voltage curves; only the dyes with the hexafluorophosphate counter-ions lead to efficient solar cells. When the wide bandgap dyes are employed, S-shape current-voltage curves are obtained when the conductive polymer PEDOT:PSS is used as hole transport layer. Substitution of PEDOT:PSS with MoO3 leads to cells with more rectangular current–voltage curves and high …

Conductive polymerMaterials scienceRenewable Energy Sustainability and the EnvironmentOpen-circuit voltageBilayer02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnologyPhotochemistry7. Clean energy01 natural sciencesAcceptor0104 chemical scienceslaw.inventionchemistry.chemical_compoundPEDOT:PSSchemistrylawHexafluorophosphateSolar cellGeneral Materials ScienceCyanine0210 nano-technologyAdvanced Energy Materials
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Local structure of A-atom in ABO3 perovskites studies by RMC-EXAFS

2020

The measurements of Sr K-edge XAFS were performed under the approval of Proposal No. 97G042 of Photon Factory (KEK) and partially supported by the Research Grants of Hirosaki University. This work was supported by Bruce Ravel providing data for BTO. Boby Joseph acknowledges IISc Bangalore and ICTP Trieste for financial support through the award of the IISc-ICTP fellowship.

Correlation effectsDiffractionX-ray absorption spectroscopyRadiationMaterials scienceExtended X-ray absorption fine structureAbsorption spectroscopy010308 nuclear & particles physicsReverse Monte CarloExtended X-ray absorption fine structure (EXAFS)01 natural sciencesMolecular physicsSpectral line030218 nuclear medicine & medical imagingCondensed Matter::Materials Science03 medical and health sciences0302 clinical medicine0103 physical sciencesAtom:NATURAL SCIENCES:Physics [Research Subject Categories]PerovskitesReverse Monte CarloSpectroscopyX-ray absorption near edge structure (XANES)Radiation Physics and Chemistry
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Hexafluorophosphate and Oxalate Complexes of 4-Methoxy-2-(5-methoxy-3-methyl-pyrazol-1-yl)-6-methylpyrimidine with Co(II), Ni(II), and Cu(II)

1986

Abstract Complexes of Co(II), Ni(II) and Cu(II) with the title ligand, L, have been prepared and characterized through elemental analysis, conductance measurements, electronic and infrared spectra, and magnetic measurements. For all hexafluorophosphate complexes monomeric species with CuL2 2+ and ML3 2+ (M=Co,Ni,Cu) have been isolated. In the oxalate complexes the C2O4 = group act as a bidentate bridge to form compounds with probable dimeric (copper(II)) or polymeric (cobalt(II) and nickel(II)) structures.

DenticityLigandInorganic chemistrychemistry.chemical_elementInfrared spectroscopyCopperMedicinal chemistryOxalateInorganic Chemistrychemistry.chemical_compoundNickelchemistryHexafluorophosphatePhysical and Theoretical ChemistryCobaltSynthesis and Reactivity in Inorganic and Metal-Organic Chemistry
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Mono- and Binuclear Copper(II) and Nickel(II) Complexes with the 3,6-Bis(picolylamino)-1,2,4,5-Tetrazine Ligand

2021

Four new compounds of formulas [Cu(hfac)2(L)] (1), [Ni(hfac)2(L)] (2), [{Cu(hfac)2}2(µ-L)]·2CH3OH (3) and [{Ni(hfac)2}2(µ-L)]·2CH3CN (4) [Hhfac = hexafluoroacetylacetone and L = 3,6-bis(picolylamino)-1,2,4,5-tetrazine] have been prepared and their structures determined by X-ray diffraction on single crystals. Compounds 1 and 2 are isostructural mononuclear complexes where the metal ions [copper(II) (1) and nickel(II) (2)] are six-coordinated in distorted octahedral MN2O4 surroundings which are built by two bidentate hfac ligands plus another bidentate L molecule. This last ligand coordinates to the metal ions through the nitrogen atoms of the picolylamine fragment. Compounds 3 and 4 are cen…

DenticityMaterials science42Pharmaceutical Sciencechemistry.chemical_element5-tetrazinecrystal structure determination010402 general chemistry01 natural sciencesO.ArticleAnalytical ChemistryM.lcsh:QD241-441Julvechemistry.chemical_compoundTetrazinenickelStetsiukN 1lcsh:Organic chemistryA.Drug DiscoveryLloret[CHIM]Chemical SciencesPhysical and Theoretical ChemistryIsostructural1245-tetrazine010405 organic chemistryLigandHexafluoroacetylacetoneOrganic ChemistryMagnetic susceptibility0104 chemical sciencesNickelCrystallographyAvarvarichemistryChemistry (miscellaneous)F.Intramolecular forcecopperMolecular Medicinemagnetic propertiesnitrogen ligandsEl-Ghayoury
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Copolymerization of VDF and HFP in Supercritical Carbon Dioxide: A Robust Approach for Modeling Precipitation and Dispersion Kinetics

2012

A kinetic model is developed for the heterogeneous free-radical copolymerization of vinylidene fluoride and hexafluoropropylene in supercritical CO 2. The model accounts for polymerization in both the dispersed (polymer-rich) phase and in the continuous (polymer-free) supercritical phase, for radical interphase transport, diffusion limitations, and chain-length-dependent termination in the polymer-rich phase. A parameter evaluation strategy is developed and detailed to estimate most of the kinetic parameters a priori while minimizing their evaluation by direct fitting. The resulting model predictions compare favorably with the experimental results of conversion and MWD at varying monomer fe…

Dispersion kineticChain-length-dependent terminationDiffusionSupercritical carbon dioxideSupercritical phaseCopolymerCopolymerizationKineticRobust approacheHexafluoropropyleneModel predictionFree radical polymerizationFree radical copolymerizationKinetic modelPolymers Supercritical fluid extractionSettore ING-IND/27 - Chimica Industriale E TecnologicaDiffusion limitationFluorine containing polymerMonomerParameter evaluationVinylidene fluoride Carbon dioxideHeterogeneous polymerizationMonomer concentrationFeed compositionSupercritical COModel
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Copolymerization of VDF and HFP in Supercritical Carbon Dioxide: Experimental Analysis of the Reaction Loci

2010

Free radical copolymerization reactions of vinylidene fluoride (VDF) and hexafluoropropylene (HFP) were carried out in supercritical carbon dioxide at T=50 °C. When ammonium carboxylate perfluoropolyether surfactants were used, the formation of polymer particles was observed provided that HFP mole fraction in the feed was not larger than 0.30. Under these conditions, the effect of the total interphase area of the polymer phase, Ap, on the product propertieswas investigated by comparing experiments with largely different amounts of stabilizer, i.e., ranging from precipitation (smaller Ap) to dispersion (larger Ap) polymerization systems. We found that the copolymer molecular weight distribut…

Dispersion polymerizationSupercritical carbon dioxidePolymers and PlasticsOrganic ChemistryRadical polymerizationsupercritical carbon dioxide fluoropolymers free radical polymerization polymerization kineticsSettore ING-IND/27 - Chimica Industriale E TecnologicaInorganic Chemistrychemistry.chemical_compoundchemistryPolymer chemistryCarbon dioxideMaterials ChemistryCopolymerCarboxylateHexafluoropropyleneFluoride
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