scholarly journals QUANTUM CHEMICAL DESIGNING OF TRIPHENYLAMINE DYES WITH D-A-Π-Α CONFIGURATION FOR DYE SENSITIZED SOLAR CELLS: MOLECULAR ENGINEERING THROUGH FIRST-PRINCIPLES CALCULATIONS

2018 ◽  
Vol 63 (1) ◽  
pp. 3850-3854 ◽  
Author(s):  
Muhammad Ramzan Saeed Ashraf Janjua
2013 ◽  
Vol 168 ◽  
pp. 1-8 ◽  
Author(s):  
Shibin Wang ◽  
Jianchun Guo ◽  
Le He ◽  
Haoru Wang ◽  
Jinzhou Zhao ◽  
...  

2019 ◽  
Vol 43 (17) ◽  
pp. 6480-6491 ◽  
Author(s):  
Narendra Nath Ghosh ◽  
Md. Habib ◽  
Anup Pramanik ◽  
Pranab Sarkar ◽  
Sougata Pal

Triazatruxene with designed anchoring groups provides better photovoltaic activities.


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.


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