scholarly journals Pre-edge Features of Ti K-edge X-ray Absorption Near-edge Structure for the Local Structure of Sol-Gel Titanium Oxides

2005 ◽  
Vol 21 (7) ◽  
pp. 805-809 ◽  
Author(s):  
Shuji MATSUO ◽  
Nahomi SAKAGUCHI ◽  
Hisanobu WAKITA
Keyword(s):  
Local Structure ◽  
Sol Gel ◽  
Titanium Oxides ◽  
Edge Structure ◽  
X Ray ◽  
Edge Features ◽  
X Ray Absorption

scholarly journals Local structure and cation distribution analysis of Mn1-xZnxFe2O4 powders by X-ray Absorption Near Edge Structure Spectroscopy

2021 ◽  
pp. 109628
Author(s):  
Jaru Jutimoosik ◽  
Pinit Kidkhunthod ◽  
Theerachai Bongkarn ◽  
Rattikorn Yimnirun
Keyword(s):  
Cation Distribution ◽  
Local Structure ◽  
Distribution Analysis ◽  
Edge Structure ◽  
X Ray ◽  
X Ray Absorption

scholarly journals The Study of Magnetic Properties for Non-Magnetic Ions Doped BiFeO3

Materials ◽  
2021 ◽  
Vol 14 (15) ◽  
pp. 4061
Author(s):  
Yongtao Li ◽  
Liqing Liu ◽  
Dehao Wang ◽  
Hongguang Zhang ◽  
Xuemin He ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Local Structure ◽  
Metal Ion ◽  
Single Phase ◽  
Sol Gel ◽  
X Ray ◽  
Co Doping ◽  
Magnetic Ions ◽  
X Ray Absorption ◽  
Fe Ions

BiFeO3 is considered as a single phase multiferroic. However, its magnetism is very weak. We study the magnetic properties of BiFeO3 by Cu and (Cu, Zn). Polycrystalline samples Bi(Fe0.95Cu0.05)O3 and BiFe0.95(Zn0.025Cu0.025)O3 are prepared by the sol-gel method. The magnetic properties of BiFe0.95(Zn0.025Cu0.025)O3 are greater than that of BiFeO3 and Bi(Fe0.95Cu0.05)O3. The analyses of X-ray absorption fine structure data show that the doped Cu atoms well occupy the sites of the Fe atoms. X-ray absorption near edge spectra data confirm that the valence state of Fe ions does not change. Cu and Zn metal ion co-doping has no impact on the local structure of the Fe and Bi atoms. The modification of magnetism by doping Zn can be understood by the view of the occupation site of non-magnetically active Zn2+.

CuOX Films for NO2 Detection: Microstructural Characterization

2013 ◽  
Vol 481 ◽  
pp. 133-136 ◽  
Author(s):  
T.N. Myasoedova ◽  
G.E. Yalovega ◽  
N.K. Plugotarenko ◽  
M. Brzhezinskaya ◽  
V.V. Petrov ◽  
...  
Keyword(s):  
Gas Sensors ◽  
Secondary Electron ◽  
Operating Temperature ◽  
Sol Gel ◽  
Microstructural Characterization ◽  
Temperature Treatment ◽  
Copper Oxides ◽  
Edge Structure ◽  
X Ray ◽  
X Ray Absorption

Copper oxides films as promising materials for gas sensors applications were studied. Copper oxide films were deposited onto Si/SiO2substrates using a citrate sol-gel method with the subsequent temperature treatment at 150-5000C. These films were characterized by means of secondary electron microscopy (SEM) and X-ray-absorption near-edge structure (XANES) spectroscopy. The prepared films were utilized in NO2sensors. The dependences of the NO2response on the operating temperature and NO2concentration (10-200 ppm) were investigated. The maximum NO2response was achieved for the film annealed at 2500C.

Extended X-ray absorption fine structure and multiple-scattering simulation of nickel dithiolene complexes Ni[S2C2(CF3)2]2n(n= −2, −1, 0) and an olefin adduct Ni[S2C2(CF3)2]2(1-hexene)

2015 ◽  
Vol 22 (1) ◽  
pp. 124-129 ◽  
Author(s):  
Weiwei Gu ◽  
Hongxin Wang ◽  
Kun Wang
Keyword(s):  
Fine Structure ◽  
Multiple Scattering ◽  
Edge Structure ◽  
X Ray ◽  
Absorption Fine ◽  
Square Planar ◽  
Square Planar Complexes ◽  
Uv Visible ◽  
Edge Features ◽  
X Ray Absorption

A series of Ni dithiolene complexes Ni[S2C2(CF3)]2n(n= −2, −1, 0) (1,2,3) and a 1-hexene adduct Ni[S2C2(CF3)2]2(C6H12) (4) have been examined by NiK-edge X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine-structure (EXAFS) spectroscopies. Ni XANES for1–3reveals clear pre-edge features and approximately +0.7 eV shift in the NiK-edge position for `one-electron' oxidation. EXAFS simulation shows that the Ni—S bond distances for1,2and3(2.11–2.16 Å) are within the typical values for square planar complexes and decrease by ∼0.022 Å for each `one-electron' oxidation. The changes in NiK-edge energy positions and Ni—S distances are consistent with the `non-innocent' character of the dithiolene ligand. The Ni—C interactions at ∼3.0 Å are analyzed and the multiple-scattering parameters are also determined, leading to a better simulation for the overall EXAFS spectra. The 1-hexene adduct4presents no pre-edge feature, and its NiK-edge position shifts by −0.8 eV in comparison with its starting dithiolene complex3. Consistently, EXAFS also showed that the Ni—S distances in4elongate by ∼0.046 Å in comparison with3. The evidence confirms that the neutral complex is `reduced' upon addition of olefin, presumably by olefin donating the π-electron density to the LUMO of3as suggested by UV/visible spectroscopy in the literature.

X-ray absorption near edge structures in cobalt oxides

1996 ◽  
Vol 11 (9) ◽  
pp. 2242-2256 ◽  
Author(s):  
T. Jiang ◽  
D. E. Ellis
Keyword(s):  
Wave Functions ◽  
Site Symmetry ◽  
Local Geometry ◽  
Final State ◽  
Cluster Technique ◽  
Edge Structure ◽  
X Ray ◽  
Local Electronic Structure ◽  
Edge Features ◽  
X Ray Absorption

Theoretical studies have been made of K-edge x-ray absorption near edge structure (XANES) of Co in CoO, Co(OH)2, CoTiO3, Co3O4, and CoAl2O4. Correlations of experimental near edge features with site symmetry, local geometry, local electronic structure, i.e., atomic configuration, charge transfer, and backscattering from neighboring atomic potentials are interpreted. The self-consistent Discrete Variational Xa Method (DV-Xα) within an embedded cluster technique has been used to generate the crystal potential. A multiple scattering (MS) approach is then used to solve for the final state wave function. The ground state DV wave functions are analyzed in terms of the projected density of states, whereas the final state MS continuum wave functions are analyzed through the concept of photoelectron trapping time.

scholarly journals Solving local structure around dopants in metal nanoparticles with ab initio modeling of X-ray absorption near edge structure

2016 ◽  
Vol 18 (29) ◽  
pp. 19621-19630 ◽  
Author(s):  
Janis Timoshenko ◽  
Atal Shivhare ◽  
Robert W. J. Scott ◽  
Deyu Lu ◽  
Anatoly I. Frenkel
Keyword(s):  
Ab Initio ◽  
Metal Nanoparticles ◽  
Local Structure ◽  
Heterogeneous Catalysts ◽  
Edge Structure ◽  
X Ray ◽  
Metal Impurities ◽  
Local Environments ◽  
X Ray Absorption ◽  
Xanes Analysis

XANES analysis guided by ab initio modeling is proposed for refinement of local environments around metal impurities in heterogeneous catalysts.

scholarly journals The Atomic-Scale Interaction of Bioactive Glasses with Simulated Body Fluid

2005 ◽  
Vol 480-481 ◽  
pp. 21-26 ◽  
Author(s):  
L.J. Skipper ◽  
F.E. Sowrey ◽  
D.M. Pickup ◽  
R.J. Newport ◽  
K.O. Drake ◽  
...  
Keyword(s):  
Simulated Body Fluid ◽  
Body Fluid ◽  
Sol Gel ◽  
Atomic Scale ◽  
X Ray Diffraction ◽  
Bioactive Glasses ◽  
Edge Structure ◽  
X Ray ◽  
X Ray Absorption

The formation of a carbonate-containing hydroxyapatite, HCAp, layer on bioactive calcium silicate sol-gel glass of the formula (CaO)0.3(SiO2)0.7 has been studied in-vitro in Simulated Body Fluid (SBF). Extended X-ray Absorption Fine Structure (EXAFS), X-ray Absorption Near Edge Structure (XANES), X-ray diffraction (XRD), and solid state nuclear magnetic resonance (NMR) measurements have been performed with results showing the formation of a significantly amorphous HCAp layer after less than 5 hours in solution.

Local Structure and L1- and L3-Edge X-ray Absorption Near Edge Structure of Late Lanthanide Elements (Ho, Er, Yb) in Their Complex Oxides

2015 ◽  
Vol 119 (15) ◽  
pp. 8070-8077 ◽  
Author(s):  
Hiroyuki Asakura ◽  
Tetsuya Shishido ◽  
Kentaro Teramura ◽  
Tsunehiro Tanaka
Keyword(s):  
Local Structure ◽  
Complex Oxides ◽  
Edge Structure ◽  
X Ray ◽  
Lanthanide Elements ◽  
X Ray Absorption

scholarly journals Neural network assisted analysis of bimetallic nanocatalysts using X-ray absorption near edge structure spectroscopy

2020 ◽  
Vol 22 (34) ◽  
pp. 18902-18910 ◽  
Author(s):  
Nicholas Marcella ◽  
Yang Liu ◽  
Janis Timoshenko ◽  
Erjia Guan ◽  
Mathilde Luneau ◽  
...  
Keyword(s):  
Neural Network ◽  
Local Structure ◽  
Bimetallic Nanoparticles ◽  
Edge Structure ◽  
X Ray ◽  
Coordination Numbers ◽  
Rich Information ◽  
Bimetallic Nanocatalysts ◽  
Assisted Analysis ◽  
X Ray Absorption

Trained neural networks are used to extract the first partial coordination numbers from XANES spectra. In bimetallic nanoparticles, the four local structure descriptors provide rich information on structural motifs.

Local structure and dynamics of hemeproteins by X-ray absorption near edge structure spectroscopy

2012 ◽  
Vol 112 ◽  
pp. 93-99 ◽  
Author(s):  
Alessandro Arcovito ◽  
Stefano della Longa
Keyword(s):  
Local Structure ◽  
Edge Structure ◽  
X Ray ◽  
Structure And Dynamics ◽  
X Ray Absorption
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