A Combined Study of Tc Redox Speciation in Complex Aqueous Systems: Wet-Chemistry, Tc K-/L3-Edge X-ray Absorption Fine Structure, and Ab Initio Calculations

2021 ◽  
Author(s):  
Kathy Dardenne ◽  
Sarah Duckworth ◽  
Xavier Gaona ◽  
Robert Polly ◽  
Bernd Schimmelpfennig ◽  
...  
Keyword(s):  
Fine Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Aqueous Systems ◽  
Wet Chemistry ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption ◽  
Redox Speciation

scholarly journals Surface Structure of CdSe Nanorods Revealed by Combined X-ray Absorption Fine Structure Measurements and ab Initio Calculations

2007 ◽  
Vol 111 (1) ◽  
pp. 75-79 ◽  
Author(s):  
Deborah M. Aruguete ◽  
Matthew A. Marcus ◽  
Liang-shi Li ◽  
Andrew Williamson ◽  
Sirine Fakra ◽  
...  
Keyword(s):  
Fine Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Surface Structure ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption ◽  
Cdse Nanorods

Improved ab initio calculations of amplitude and phase functions for extended x-ray absorption fine structure spectroscopy

1988 ◽  
Vol 110 (12) ◽  
pp. 3763-3768 ◽  
Author(s):  
A. G. McKale ◽  
B. W. Veal ◽  
A. P. Paulikas ◽  
S. K. Chan ◽  
G. S. Knapp
Keyword(s):  
Fine Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
X Ray ◽  
Absorption Fine ◽  
Phase Functions ◽  
X Ray Absorption

Accurate determination of the As(v) coordination environment at the surface of ferrihydrite using synchrotron extended X-ray absorption fine structure spectroscopy and ab initio Debye–Waller factors

2019 ◽  
Vol 6 (8) ◽  
pp. 2441-2451
Author(s):  
Shaofeng Wang ◽  
Guoqing Zhang ◽  
Jinru Lin ◽  
Xin Wang ◽  
Yongfeng Jia
Keyword(s):  
Fine Structure ◽  
Ab Initio ◽  
Accurate Determination ◽  
Coordination Environment ◽  
X Ray ◽  
Absorption Fine ◽  
Mononuclear Complexes ◽  
X Ray Absorption

The synchrotron EXAFS fitting using ab initio Debye–Waller factors suggests that ferrihydrite adsorbs arsenate dominantly via monodentate mononuclear complexes.

Structure of magnetic thin films and nanostructures studied by extended X-ray absorption fine structure

2000 ◽  
Vol 454-456 ◽  
pp. 723-728 ◽  
Author(s):  
H. Magnan ◽  
P. Le Fèvre ◽  
A. Midoir ◽  
D. Chandesris ◽  
H. Jaffrès ◽  
...  
Keyword(s):  
Thin Films ◽  
Fine Structure ◽  
Magnetic Thin Films ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption
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