A theoretical study of the structures and optical spectra of helical copper–silver clusters

2014 ◽  
Vol 16 (39) ◽  
pp. 21039-21048 ◽  
Author(s):  
Christopher J. Heard ◽  
Roy L. Johnston
Keyword(s):  
Significant Role ◽  
Theoretical Study ◽  
Response Spectra ◽  
Optical Response ◽  
Optical Spectra ◽  
Electronic Transitions ◽  
Silver Clusters ◽  
Local Geometry ◽  
Icosahedral Clusters

Optical response spectra of AgnCu13−n+ Bernal spiral clusters show subtle variations by dopant site and loading. Comparison to nanorod-like and icosahedral clusters shows local geometry plays a significant role in electronic transitions at the sub-nanoscale.

Theoretical Study of the Stability, Structure, and Optical Spectra of Small Silver Clusters and Their Formation Using Density Functional Theory

2021 ◽  
Author(s):  
Mohsen Farshad ◽  
Duwage Charitha Perera ◽  
Jayendran C Rasaiah
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Theoretical Study ◽  
Optical Spectra ◽  
Silver Clusters ◽  
Mechanism Of Formation ◽  
Functional Theory ◽  
Stability Structure ◽  
The Stability ◽  
Small Clusters

An understanding of the mechanism of formation of small clusters would help to identify efficient routes to their synthesis. Here, we apply density functional theory (DFT) to study the free...

Theoretical study of the optical response of the adsorption of Sb on the GaAs(110) surface

2008 ◽  
Vol 5 (8) ◽  
pp. 2604-2609 ◽  
Author(s):  
Bernardo S. Mendoza ◽  
N. Arzate ◽  
R. A. Vázquez-Nava
Keyword(s):  
Theoretical Study ◽  
Optical Response
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