scholarly journals Iodate in calcite and vaterite: Insights from synchrotron X-ray absorption spectroscopy and first-principles calculations

2017 ◽  
Vol 198 ◽  
pp. 218-228 ◽  
Author(s):  
J. Podder ◽  
J. Lin ◽  
W. Sun ◽  
S.M. Botis ◽  
J. Tse ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray ◽  
X Ray Absorption

scholarly journals New Insights on the Reversible Lithiation Mechanism of TiO2(B) by Operando X-ray Absorption Spectroscopy and X-ray Diffraction Assisted by First-Principles Calculations

2014 ◽  
Vol 118 (47) ◽  
pp. 27210-27218 ◽  
Author(s):  
Marcus Fehse ◽  
Mouna Ben Yahia ◽  
Laure Monconduit ◽  
Frédéric Lemoigno ◽  
Marie-Liesse Doublet ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray Diffraction ◽  
X Ray ◽  
X Ray Absorption

High-resolution x-ray absorption spectroscopy of BaTiO3: Experiment and first-principles calculations

2011 ◽  
Vol 84 (19) ◽  
Author(s):  
A. Chassé ◽  
St. Borek ◽  
K.-M. Schindler ◽  
M. Trautmann ◽  
M. Huth ◽  
...  
Keyword(s):  
High Resolution ◽  
Absorption Spectroscopy ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray ◽  
X Ray Absorption

Local structure of stoichiometric and oxygen-deficient A2Ti6O13 (A = Li, Na, and K) studied by X-ray absorption spectroscopy and first-principles calculations

2018 ◽  
Vol 124 (15) ◽  
pp. 155101 ◽  
Author(s):  
Jarin Kanchanawarin ◽  
Wanwisa Limphirat ◽  
Pratya Promchana ◽  
Tawan Sooknoi ◽  
Tosapol Maluangnont ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
First Principles ◽  
Local Structure ◽  
First Principles Calculations ◽  
X Ray ◽  
X Ray Absorption
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