An in situ observation technique by XAFS (X-ray Absorption Fine Structures) has been developed for observation of metal corrosion. XAFS spectra were obtained with a special electrochemical cell to elucidate pitting: change of concentrations and structures of ions near the interface of solution and metal. It has been successfully shown that the concentrations of Cr and Br are linearly dependent ...

For analysis of lithium ion batteries, the ultra soft X-ray absorption spectroscopy beamline BL-2 at SR center of Ritsumeikan University has been improving: adding the new grating (900 l/mm) to the monochromator for higher energy up to 1000eV, and constructing the XAFS-PES (photoelectron spectroscopy) chamber equipped with in-situ transfer vessel systems. To elucidate the performance of this be...

We present an accurate and efficient technique for calculating thermal X-ray absorption fine structure (XAFS) Debye-Waller factors (DWFs) applicable to crystalline materials. Using Density Functional Theory on a 3 3 3 × × supercell pattern of MnO structure, under the nonlocal hybrid B3LYP functional paired with Gaussian local basis sets, we obtain the normal mode eigenfrequencies and eigenvecto...

The Atomic XAFS contributions in the Pt L2,3 X-ray absorption fine structure spectra (XAFS) of [PtCl(NCN)-Z] pincer complexes are shown to be a sensitive probe of changes in the electron density on the Pt atom induced by changes in a para-substituent on the neighboring benzene ring. Such electron density information is similar yet complementary to NMR data. These complexes provide a unique syst...

X-ray absorption spectroscopy (XAS) refers to the details of how X-rays are absorbed by an atom at energies near and above the core-level binding energies of that particular atom. The absorption of X-rays on the high energy side of absorption edges does not vary monotonically in condensed matter but has a complicated behavior which extends past the edge up to about ~1 keV. This non-monotonic va...

An X-ray absorption fine structure (XAFS) spectroscopy is a powerful and useful technique to probe the local electronic structure and the local atomic structure around an absorbing atom in an unknown material [Stöhr, 1996, Ohta, 2002]. A highly bright X-ray source, synchrotron radiation (SR) is usually used for XAFS measurements to obtain reliable spectra, even for elements of very low content ...

Reported herein is the synthesis of the previously unknown [Ir(1,5-COD)(μ-H)](4) (where 1,5-COD = 1,5-cyclooctadiene), from commercially available [Ir(1,5-COD)Cl](2) and LiBEt(3)H in the presence of excess 1,5-COD in 78% initial, and 55% recrystallized, yield plus its unequivocal characterization via single-crystal X-ray diffraction (XRD), X-ray absorption fine structure (XAFS) spectroscopy, el...

We present an efficient and accurate method for directly calculating single and multiple scattering X-ray absorption fine structure (XAFS) thermal Debye-Waller factors for Fe –porphiryn complexes. The number of multiple scattering Debye-Waller factors on metal porphyrin centers exceeds the number of available parameters that XAFS experimental data can support during fitting with simulated spect...

Operando XAFS imaging for the SO 2 poisoning of PEFC.