Results 11 to 20 of about 28,693 (158)

Shedding light on the enigmatic TcO2·xH2O structure with density functional theory and EXAFS spectroscopy [PDF]

, 2022
The β-emitting 99Tc isotope is a high-yield fission product in 235U and 239Pu nuclear reactors, raising special concern in nuclear waste management due to its long half-life and the high mobility of pertechnetate (TcO4−).
Andreas C., Scheinost, Augusto F., Oliveira, Agnieszka, Kuc, Thomas, Heine, Ulrich, Abram   +4 more
core   +2 more sources

Many-electron effects in EXAFS

, 1999
Extended X-ray absorption fine structure (EXAFS) spectroscopy is an experimental technique useful in the study of non-crystalline materials. EXAFS is analysed by comparing experimental to theoretical spectra.
Mervyn. Roy (7686494)
core   +6 more sources

EXAFS, DFT, light-induced nucleobase binding, and cytotoxicity of the photoactive complex cis-[Ru(bpy)2(CO)Cl]+ [PDF]

, 2010
The aqueous photochemistry of cis-[Ru(bpy)2(CO)Cl]+ (1) was investigated at 310 K and under visible light (white) irradiation by NMR and ESI-HR-MS. Complex 1 releases a Cl ligand, coordinates a solvent molecule, and forms the complex cis-[Ru(bpy)2(CO ...
Gianolio, Diego, Claudio Garino, Sadler, P. J., Fabrizio Bardelli, Tiziana Ruiu, Roberto Gobetto, Luca Salassa, Carlo Lamberti, Salassa, Luca, Westendorf, Aron, Bednarski, Patrick J., Peter J. Sadler, Pizarro, Ana M., Bardelli, Fabrizio, Ana M. Pizarro, Lamberti, Carlo, Patrick J. Bednarski, Gobetto, Roberto, Diego Gianolio, Ruiu, Tiziana, Aron Westendorf, Garino, Claudio   +21 more
core   +1 more source

Structural selective charge transfer in iodine-doped carbon nanotubes [PDF]

, 2006
We have investigated iodine intercalated carbon nanostructures by extended X-ray absorption fine structure (EXAFS) and Raman spectroscopies. We discuss here the charge transfer and the iodine–carbon interaction as a function of the carbon nanostructures (
Almairac, Robert, Almairac, R., Aznar, R., Michel, Thierry, Alvarez, Laurent, Bantignies, J.L., Sauvajol, J.L, Flahaut, Emmanuel, Michel, T., Alvarez, L., Aznar, Raymond, Sauvajol, Jean-Louis, Mathon, Olivier, Mathon, O., Bantignies, Jean-Louis   +14 more
core   +1 more source

Dimethyl sulfoxide solvates of the aluminium(III), gallium(III) and indium(III) ions. A crystallographic, EXAFS and vibrational spectroscopic study [PDF]

, 2003
The isostructural hexakis( dimethyl sulfoxide)-aluminium(III), -gallium(III) and -indium(III) iodides crystallise in the trigonal space group R(3) over bar ( no. 148), Z = 3, at 295 +/- 1 K.
Kritikos, M., Skripkin, M., Mink, János, Molla-Abbassi, A.   +3 more
core   +1 more source

Structure and chemical bonding in Zr-doped anatase TiO2 nanocrystals [PDF]

, 2007
Zirconium-doped anatase TiO2 nanopowders and nanoceramics with particle sizes between 12 and 30 nm were investigated by EXAFS spectroscopy. Furthermore, ab initio calculations based on density functional theory were performed to analyze changes in the ...
Weibel, Alicia, Lippens, P. E., R. Bouchet, Bouchet, Renaud, Knauth, P., Knauth, Philippe, Bouchet, R., A. V. Chadwick, Lippens, Pierre-Emmanuel, P. E. Lippens, Chadwick, Alan V., A. Weibel, P. Knauth, Weibel, A., Chadwick, A. V.   +14 more
core   +1 more source

Bayesian sparse modeling of extended x-ray absorption fine structure to determine interstitial oxygen positions in yttrium oxyhydride epitaxial thin film

AIP Advances, 2021
This article presents a Bayesian sparse modeling method to analyze extended x-ray absorption fine structure (EXAFS) data with basis functions built on two-body signals.
Hiroyuki Kumazoe, Yasuhiko Igarashi, Fabio Iesari, Ryota Shimizu, Yuya Komatsu, Taro Hitosugi, Daiju Matsumura, Hiroyuki Saitoh, Kazunori Iwamitsu, Toshihiro Okajima, Yoshiki Seno, Masato Okada, Ichiro Akai   +12 more
doaj   +1 more source

Probing the role of thermal vibrational disorder in the SPT of VO $$_2$$ 2 by Raman spectroscopy

Scientific Reports, 2021
Phase competition in transition metal oxides has attracted remarkable interest for fundamental aspects and technological applications. Here, we report a concurrent study of the phase transitions in undoped and Cr-doped VO $$_2$$ 2 thin films.
Aminat Oyiza Suleiman, Sabeur Mansouri, Nicolas Émond, Boris Le Drogoff, Théophile Bégin, Joëlle Margot, Mohamed Chaker   +6 more
doaj   +1 more source

Vibrational spectroscopic force field studies of dimethyl sulfoxide and hexakis(dimethyl sulfoxide)scandium(III) iodide, and crystal and solution structure of the hexakis(dimethyl sulfoxide)scandium(III) ion [PDF]

, 2004
Hexakis(dimethyl sulfoxide) scandium(III) iodide, [Sc(OS(CH3)(2))(6)]I-3 contains centrosymmetric hexasolvated scandium(III) ions with an Sc-O bond distance of 2.069(3) Angstrom.
Lindqvist-Reis, P., Abbasi, A., Mink, János, Skripkin, Mikhail Yu, Sandström, M., Mink, J., Skripkin, M. Y., Persson, I.   +7 more
core   +1 more source

Extended x-ray absorption fine structure measurement of ramp compressed Ti using laser-irradiated metallic foil as x-ray source on SGIII prototype laser facility

AIP Advances, 2023
Laser-irradiated metallic foils were considered as x-ray sources for extended x-ray absorption fine structure (EXAFS) measurements and confirmed by experiments on the SGIII prototype facility.
Yun Hu, Zhebin Wang, Jiyan Zhang, Quanxi Xue, Qing Ye, Shaoen Jiang   +5 more
doaj   +1 more source