scholarly journals Time-dependent density functional theory study of squaraine dye-sensitized solar cells

2009 ◽  
Vol 475 (1-3) ◽  
pp. 49-53 ◽  
Author(s):  
Dario Rocca ◽  
Ralph Gebauer ◽  
Filippo De Angelis ◽  
Mohammad K. Nazeeruddin ◽  
Stefano Baroni
RSC Advances ◽  
2018 ◽  
Vol 8 (35) ◽  
pp. 19804-19810 ◽  
Author(s):  
Xingyi Jin ◽  
Dongyuan Li ◽  
Libo Sun ◽  
Cheng-Long Wang ◽  
Fu-Quan Bai

Using density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods, three porphyrin dyes with different acceptors, such as carboxylic acid, cyanoacrylic acid, and 2-cyano-N-hydroxyacrylamide, have been designed.


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