DFT/TD-DFT study of ruthenium bipyridyl-based dyes with a chalcogen donor (X = S, Se, Te), for application as dye-sensitized solar cells

Polyhedron ◽  
2017 ◽  
Vol 127 ◽  
pp. 217-224 ◽  
Author(s):  
Assia Bourouina ◽  
Mâammar Rekhis ◽  
Mohamed Trari
RSC Advances ◽  
2021 ◽  
Vol 11 (44) ◽  
pp. 27570-27582
Author(s):  
Sabir Ali Siddique ◽  
Muhammad Arshad ◽  
Sabiha Naveed ◽  
Muhammad Yasir Mehboob ◽  
Muhammad Adnan ◽  
...  

We used a quantum chemical approach to investigate the optoelectronic properties of dyes T1–T5 for dye-sensitized solar cells using DFT and TD-DFT computation. The newly designed molecules exhibited outstanding photovoltaic and optoelectronic properties.


2012 ◽  
Vol 14 (1) ◽  
pp. 225-233 ◽  
Author(s):  
Rocío Sánchez-de-Armas ◽  
Miguel Ángel San Miguel ◽  
Jaime Oviedo ◽  
Javier Fdez. Sanz

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