Synthesis, Structural, Time-Dependent Density-Functional Theory, Thermal Annealing and Optical Properties for Doped Polymer Nanostructured Thin Films as Optoelectronic Devices

Polymer Korea ◽  
2021 ◽  
Vol 45 (4) ◽  
pp. 541-551
Author(s):  
Ahmed F. Al-Hossainy ◽  
Mohamed Sh. Zoromba
Keyword(s):  
Thin Films ◽  
Density Functional Theory ◽  
Optical Properties ◽  
Thermal Annealing ◽  
Density Functional ◽  
Optoelectronic Devices ◽  
Time Dependent ◽  
Functional Theory ◽  
Doped Polymer ◽  
Dependent Density

Synthesis, photophysical and nonlinear optical properties of a series of ball-type phthalocyanines in solution and thin films

2017 ◽  
Vol 41 (5) ◽  
pp. 2020-2028 ◽  
Author(s):  
Njemuwa Nwaji ◽  
John Mack ◽  
Jonathan Britton ◽  
Tebello Nyokong
Keyword(s):  
Thin Films ◽  
Density Functional Theory ◽  
Optical Properties ◽  
Density Functional ◽  
Nonlinear Optical ◽  
Time Dependent ◽  
Optical Behaviour ◽  
Functional Theory ◽  
Td Dft ◽  
Dependent Density

Ball-type phthalocyanines containing heavy central metals show enhanced nonlinear optical behaviour in solution or when embedded in polymer thin films. Time dependent density functional theory (TD-DFT) calculations were used to explain the spectra.

Optical Properties of Triplex DNA from Time-Dependent Density Functional Theory

2012 ◽  
Vol 116 (35) ◽  
pp. 10693-10702 ◽  
Author(s):  
Tahereh Ghane ◽  
Giorgia Brancolini ◽  
Daniele Varsano ◽  
Rosa Di Felice
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Density Functional ◽  
Time Dependent ◽  
Triplex Dna ◽  
Functional Theory ◽  
Dependent Density
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