Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory

2016 ◽  
Vol 12 (6) ◽  
pp. 2633-2643 ◽  
Author(s):  
Rolf H. Myhre ◽  
Sonia Coriani ◽  
Henrik Koch
Keyword(s):  
Fine Structure ◽  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
X Ray ◽  
Absorption Fine ◽  
X Ray Absorption

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

Kinetic analysis of Ag particle redispersion into ZSM-5 in the presence of coke using in situ XAFS

2021 ◽  
Author(s):  
Kazumasa Murata ◽  
Junya Ohyama ◽  
Atsushi Satsuma
Keyword(s):  
Fine Structure ◽  
Kinetic Analysis ◽  
X Ray ◽  
Xafs Spectroscopy ◽  
Absorption Fine ◽  
Ag Particles ◽  
In Situ Xafs ◽  
Ag Particle ◽  
X Ray Absorption

In the present study, the redispersion behavior of Ag particles on ZSM-5 in the presence of coke was observed using in situ X-ray absorption fine structure (XAFS) spectroscopy.

scholarly journals Backbonding contributions to small molecule chemisorption in a metal–organic framework with open copper(i) centers

2021 ◽  
Author(s):  
Gregory M. Su ◽  
Han Wang ◽  
Brandon R. Barnett ◽  
Jeffrey R. Long ◽  
David Prendergast ◽  
...  
Keyword(s):  
Fine Structure ◽  
Small Molecule ◽  
Metal Organic Framework ◽  
X Ray ◽  
Metal Site ◽  
Absorption Fine ◽  
Metal Organic ◽  
X Ray Absorption ◽  
Organic Framework

In situ near edge X-ray absorption fine structure spectroscopy directly probes unoccupied states associated with backbonding interactions between the open metal site in a metal–organic framework and various small molecule guests.

Structure study of the chalcogens and chalcogenides by X-ray absorption fine structure

2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Hiroyuki Ikemoto ◽  
Takafumi Miyanaga
Keyword(s):  
Fine Structure ◽  
Covalent Bond ◽  
Narrow Channel ◽  
Structure Study ◽  
Chain Structure ◽  
Covalent Bonds ◽  
X Ray ◽  
Absorption Fine ◽  
Amorphous States ◽  
X Ray Absorption

AbstractIn this review, we make a survey of the structure studies for the chalcogen elements and several chalcogenides in liquid, amorphous and nanosized state by using X-ray absorption fine structure (XAFS). The chalcogen elements have hierarchic structures; the chain structure constructed with the strong covalent bond as a primary structure, and the weaker interaction between chains as a secondary one. Existence of these two kinds of interactions induces exotic behaviors in the liquid, amorphous and nanosized state of the chalcogen and chalcogenides. XAFS is a powerful structure analysis technique for multi-element systems and the disordered materials, so it is suitable for the study of such as liquid, amorphous and nanosized mixtures. In section 2, the structures for the liquid state are discussed, which show the interesting semiconductor-metal transition depending on their temperatures and components. In section 3, the structure for the amorphous states are discussed. Especially, some of chalcogens and chalcogenides present the photostructural change, which is important industrial application. In section 4, the structures of nanosized state, nanoparticles and isolated chain confined into the narrow channel, are discussed. The studies of the nanoparticle and the isolated chain reveal the alternative role between the intrachain covalent bonds and the interchain interaction.

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