Electronic Structure of the Spinel Li4Ti5O12 Studied by ab initio Calculations and X-Ray Absorption Spectroscopy.

ChemInform ◽  
2004 ◽  
Vol 35 (43) ◽  
Author(s):  
Pierre-Emmanuel Lippens ◽  
Manfred Womes ◽  
Pierre Kubiak ◽  
Jean-Claude Jumas ◽  
Josette Olivier-Fourcade
Keyword(s):  
Electronic Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Absorption Spectroscopy ◽  
X Ray ◽  
X Ray Absorption

Electronic structure of the spinel Li4Ti5O12 studied by ab initio calculations and X-ray absorption spectroscopy

2004 ◽  
Vol 6 (2) ◽  
pp. 161-166 ◽  
Author(s):  
Pierre-Emmanuel Lippens ◽  
Manfred Womes ◽  
Pierre Kubiak ◽  
Jean-Claude Jumas ◽  
Josette Olivier-Fourcade
Keyword(s):  
Electronic Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Absorption Spectroscopy ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations

2014 ◽  
Vol 116 (9) ◽  
pp. 093703 ◽  
Author(s):  
Rafael Sarmiento-Pérez ◽  
Silvana Botti ◽  
Claudia S. Schnohr ◽  
Iver Lauermann ◽  
Angel Rubio ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic Properties ◽  
Absorption Spectroscopy ◽  
X Ray ◽  
X Ray Absorption

Variability in the Structure of Supported MoO3Catalysts:  Studies Using Raman and X-ray Absorption Spectroscopy with ab Initio Calculations

2001 ◽  
Vol 105 (36) ◽  
pp. 8519-8530 ◽  
Author(s):  
R. Radhakrishnan ◽  
C. Reed ◽  
S. T. Oyama ◽  
M. Seman ◽  
J. N. Kondo ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Absorption Spectroscopy ◽  
X Ray ◽  
X Ray Absorption

scholarly journals Interplay between local structure, vibrational and electronic properties on CuO under pressure

2020 ◽  
Vol 22 (42) ◽  
pp. 24299-24309
Author(s):  
Vera Cuartero ◽  
Virginia Monteseguro ◽  
Alberto Otero-de-la-Roza ◽  
Mourad El Idrissi ◽  
Olivier Mathon ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Structure ◽  
Ab Initio ◽  
Electronic Properties ◽  
Absorption Spectroscopy ◽  
Local Structure ◽  
X Ray ◽  
X Ray Absorption

X-ray absorption spectroscopy and ab initio calculations unveil the correlation between local, vibrational and electronic structure of CuO under high pressure.

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