Combined In-Situ X-ray Absorption Spectroscopy and First-Principles Calculation Studies on Local Structural and Electronic Structural Alternations of LiNi1/3Co1/3Mn1/3O2

2013 ◽  
Vol 50 (26) ◽  
pp. 47-58 ◽  
Author(s):  
M. Mogi ◽  
K. Kubobuchi ◽  
M. Matsumoto ◽  
M. Nishijima ◽  
H. Imai ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
First Principles ◽  
First Principles Calculation ◽  
X Ray ◽  
X Ray Absorption

Chemical-State Analysis of Organic Semiconductors Using Soft X-ray Absorption Spectroscopy Combined with First-Principles Calculation

2012 ◽  
Vol 116 (6) ◽  
pp. 1527-1531 ◽  
Author(s):  
Yutaka Natsume ◽  
Teiichiro Kohno ◽  
Takashi Minakata ◽  
Tokuzo Konishi ◽  
Eric M. Gullikson ◽  
...  
Keyword(s):  
Organic Semiconductors ◽  
Absorption Spectroscopy ◽  
First Principles ◽  
Chemical State ◽  
First Principles Calculation ◽  
X Ray ◽  
X Ray Absorption ◽  
State Analysis

Local structure analysis of Sb, Bi, and Ag dopant atoms in Mg2Si semiconductor by x-ray absorption spectroscopy and first-principles calculation

2021 ◽  
Vol 130 (24) ◽  
pp. 245105
Author(s):  
Mamoru Kitaura ◽  
Shinta Wantanabe ◽  
Toshiaki Ina ◽  
Motoharu Imai ◽  
Haruhiko Udono ◽  
...  
Keyword(s):  
Structure Analysis ◽  
Absorption Spectroscopy ◽  
First Principles ◽  
Local Structure ◽  
First Principles Calculation ◽  
X Ray ◽  
Dopant Atoms ◽  
X Ray Absorption

scholarly journals Silver in geological fluids from in situ X-ray absorption spectroscopy and first-principles molecular dynamics

2013 ◽  
Vol 106 ◽  
pp. 501-523 ◽  
Author(s):  
Gleb S. Pokrovski ◽  
Jacques Roux ◽  
Guillaume Ferlat ◽  
Romain Jonchiere ◽  
Ari P. Seitsonen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Absorption Spectroscopy ◽  
First Principles ◽  
X Ray ◽  
X Ray Absorption ◽  
First Principles Molecular Dynamics

Application of In Situ X-ray Absorption Spectroscopy to Study Dilute Chromium Ions in a Molten Chloride Salt

2019 ◽  
Author(s):  
Jisue Moon ◽  
Carter Abney ◽  
Dmitriy Dolzhnikov ◽  
James M. Kurley ◽  
Kevin A. Beyer ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Local Structure ◽  
Chloride Salt ◽  
X Ray ◽  
Molten Chloride ◽  
Stable Species ◽  
Higher Temperature ◽  
Cr Concentration ◽  
X Ray Absorption

The local structure of dilute CrCl<sub>3</sub> in a molten MgCl<sub>2</sub>:KCl salt was investigated by <i>in situ</i> x-ray absorption spectroscopy (XAS) at temperatures from room temperature to 800<sup>o</sup>C. This constitutes the first experiment where dilute Cr speciation is explored in a molten chloride salt, ostensibly due to the compounding challenges arising from a low Cr concentration in a matrix of heavy absorbers at extreme temperatures. CrCl<sub>3</sub> was confirmed to be the stable species between 200 and 500<sup>o</sup>C, while mobility of metal ions at higher temperature (>700<sup>o</sup>C) prevented confirmation of the local structure.

Revealing the structural transformation of rutile RuO2via in situ X-ray absorption spectroscopy during the oxygen evolution reaction

2019 ◽  
Vol 48 (21) ◽  
pp. 7122-7129 ◽  
Author(s):  
Chia-Jui Chang ◽  
You-Chiuan Chu ◽  
Hao-Yu Yan ◽  
Yen-Fa Liao ◽  
Hao Ming Chen
Keyword(s):  
Oxygen Evolution ◽  
Structural Transformation ◽  
Absorption Spectroscopy ◽  
Oxygen Evolution Reaction ◽  
The State ◽  
X Ray ◽  
Alkaline Conditions ◽  
X Ray Absorption ◽  
State Of Art

The state-of-art RuO2 catalyst for the oxygen evolution reaction (OER) is measured by using in situ X-ray absorption spectroscopy (XAS) to elucidate the structural transformation during catalyzing the reaction in acidic and alkaline conditions.

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