scholarly journals Determining Atomic-Scale Structure and Composition of Organo-Lead Halide Perovskites by Combining High-Resolution X-ray Absorption Spectroscopy and First-Principles Calculations

2017 ◽  
Vol 2 (5) ◽  
pp. 1183-1189 ◽  
Author(s):  
Walter S. Drisdell ◽  
Linn Leppert ◽  
Carolin M. Sutter-Fella ◽  
Yufeng Liang ◽  
Yanbo Li ◽  
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Keyword(s):  
High Resolution ◽  
Absorption Spectroscopy ◽  
First Principles ◽  
Scale Structure ◽  
Atomic Scale ◽  
First Principles Calculations ◽  
X Ray ◽  
Halide Perovskites ◽  
X Ray Absorption ◽  
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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 ◽  
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Keyword(s):  
High Resolution ◽  
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 ◽  
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Keyword(s):  
Absorption Spectroscopy ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray Diffraction ◽  
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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