scholarly journals Charge-transfer satellites and chemical bonding in photoemission and x-ray absorption of SrTiO3 and rutile TiO2 : Experiment and first-principles theory with general application to spectroscopic analysis

2020 ◽  
Vol 101 (24) ◽  
Author(s):  
J. C. Woicik ◽  
C. Weiland ◽  
C. Jaye ◽  
D. A. Fischer ◽  
A. K. Rumaiz ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Chemical Bonding ◽  
First Principles ◽  
Spectroscopic Analysis ◽  
General Application ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption

Electronic Structure and X-ray Absorption Spectra of Rutile TiO2 Using First-Principles Calculations

2014 ◽  
Vol 52 (12) ◽  
pp. 1025-1029
Author(s):  
Min-Wook Oh ◽  
Tae-Gu Kang ◽  
Byungki Ryu ◽  
Ji Eun Lee ◽  
Sung-Jae Joo ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
First Principles ◽  
First Principles Calculations ◽  
Rutile Tio2 ◽  
X Ray ◽  
X Ray Absorption

X-ray absorption spectroscopic analysis of Fe(II) and Cu(II) forms of a herbicide-degrading α-ketoglutarate dioxygenase

1999 ◽  
Vol 4 (1) ◽  
pp. 122-129 ◽  
Author(s):  
Nathaniel J. Cosper ◽  
Christina M. V. Stålhandske ◽  
Ruth E. Saari ◽  
Robert P. Hausinger ◽  
R. A. Scott
Keyword(s):  
Spectroscopic Analysis ◽  
X Ray ◽  
X Ray Absorption ◽  
Ketoglutarate Dioxygenase

X-ray absorption spectra of graphene from first-principles simulations

2010 ◽  
Vol 82 (15) ◽  
Author(s):  
Weijie Hua ◽  
Bin Gao ◽  
Shuhua Li ◽  
Hans Ågren ◽  
Yi Luo
Keyword(s):  
Absorption Spectra ◽  
First Principles ◽  
X Ray ◽  
X Ray Absorption

The charge transfer effect in Pd compounds (II): evidence from the L3 X-ray absorption near edge structure spectroscopy

2004 ◽  
Vol 59 (6) ◽  
pp. 901-904 ◽  
Author(s):  
Zhenlin Liu ◽  
Katsumi Handa ◽  
Kazuki Kaibuchi ◽  
Yoichi Tanaka ◽  
Jun Kawai
Keyword(s):  
Charge Transfer ◽  
Transfer Effect ◽  
Edge Structure ◽  
X Ray ◽  
X Ray Absorption

A single centre water splitting dye complex adsorbed on rutile TiO2(110): Photoemission, x-ray absorption, and optical spectroscopy

2011 ◽  
Vol 135 (11) ◽  
pp. 114703 ◽  
Author(s):  
Matthew Weston ◽  
Thomas J. Reade ◽  
Andrew J. Britton ◽  
Karsten Handrup ◽  
Neil R. Champness ◽  
...  
Keyword(s):  
Water Splitting ◽  
Optical Spectroscopy ◽  
Single Centre ◽  
Rutile Tio2 ◽  
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
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