The effect of oxide shell thickness on the structural, electronic, and optical properties of Si-SiO2 core-shell nano-crystals: A (time dependent)density functional theory study

2016 ◽  
Vol 119 (14) ◽  
pp. 144302 ◽  
Author(s):  
Sanaz Nazemi ◽  
Mahdi Pourfath ◽  
Ebrahim Asl Soleimani ◽  
Hans Kosina
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Density Functional ◽  
Shell Thickness ◽  
Time Dependent ◽  
Oxide Shell ◽  
Core Shell ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Dependent Density

Optical properties of pure graphene in various forms: a time dependent density functional theory study

RSC Advances ◽  
2014 ◽  
Vol 4 (92) ◽  
pp. 50606-50613 ◽  
Author(s):  
S. Chopra ◽  
L. Maidich
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Optical Absorption ◽  
Oscillator Strength ◽  
Density Functional ◽  
Time Dependent ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Dependent Density

Optical absorption in graphene nano-ribbons (GNRs) of various shapes and isomeric forms was studied using time dependent density functional theory based calculations. The highest oscillator strength was found for rectangular GNRs.

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