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

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 on functionalized acrylonitrile compounds with a large second-order nonlinear optical response

2020 ◽  
Vol 44 (45) ◽  
pp. 19623-19629
Author(s):  
Lijing Gong ◽  
Cheng Ma ◽  
Tiejun Liu ◽  
Jinkai Lv ◽  
Xianchao Xun
Keyword(s):  
Optical Properties ◽  
Dft Calculations ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Optical Response ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Nonlinear Optical Response

The nonlinear optical properties of the studied compounds were studied with the help of DFT calculations.

Theoretical study of mechanisms of non-linear optical response in liquid crystals

1993 ◽  
Vol 15 (1) ◽  
pp. 75-85 ◽  
Author(s):  
C. W. Greeff ◽  
J. Lu ◽  
Michael A. Lee
Keyword(s):  
Liquid Crystals ◽  
Theoretical Study ◽  
Optical Response ◽  
Non Linear ◽  
Linear Optical

scholarly journals Detection of Heavy Metals in Water Using Graphene Oxide Quantum Dots: An Experimental and Theoretical Study

Molecules ◽  
2021 ◽  
Vol 26 (18) ◽  
pp. 5519
Author(s):  
Lorenzo Gontrani ◽  
Olivia Pulci ◽  
Marilena Carbone ◽  
Roberto Pizzoferrato ◽  
Paolo Prosposito
Keyword(s):  
Heavy Metals ◽  
Quantum Dots ◽  
Graphene Oxide ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Theoretical Study ◽  
Graphene Quantum Dots ◽  
Emission Spectra ◽  
Optical Response ◽  
Graphene Oxide Quantum Dots

In this work, we investigate by ab initio calculations and optical experiments the sensitivity of graphene quantum dots in their use as devices to measure the presence, and concentration, of heavy metals in water. We demonstrate that the quenching or enhancement in the optical response (absorption, emission) depends on the metallic ion considered. In particular, two cases of opposite behaviour are considered in detail: Cd2+, where we observe an increase in the emission optical response for increasing concentration, and Pb2+ whose emission spectra, vice versa, are quenched along the concentration rise. The experimental trends reported comply nicely with the different hydration patterns suggested by the models that are also capable of reproducing the minor quenching/enhancing effects observed in other ions. We envisage that quantum dots of graphene may be routinely used as cheap detectors to measure the degree of poisoning ions in water.

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